data_25488 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25488 _Entry.PDB_ID 2MZH 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 25488 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 GLU N N 3 121.690 121.690 121.663 0.027 25488 2 1 1 . 1 1 3 3 GLU H H 3 8.332 8.332 8.971 -0.639 25488 3 1 1 . 1 1 4 4 ALA N N 4 124.526 124.526 118.911 5.615 25488 4 1 1 . 1 1 4 4 ALA H H 4 8.111 8.111 8.054 0.057 25488 5 1 1 . 1 1 5 5 GLY N N 5 108.229 108.229 104.774 3.455 25488 6 1 1 . 1 1 5 5 GLY H H 5 8.286 8.286 7.598 0.688 25488 7 1 1 . 1 1 6 6 GLY N N 6 108.867 108.867 108.097 0.770 25488 8 1 1 . 1 1 6 6 GLY H H 6 8.239 8.239 7.726 0.513 25488 9 1 1 . 1 1 7 7 MET N N 7 119.984 119.984 120.936 -0.952 25488 10 1 1 . 1 1 7 7 MET H H 7 8.044 8.044 7.497 0.547 25488 11 1 1 . 1 1 8 8 SER N N 8 118.771 118.771 117.639 1.132 25488 12 1 1 . 1 1 8 8 SER HA H 8 4.239 4.239 4.339 -0.100 25488 13 1 1 . 1 1 8 8 SER H H 8 8.738 8.738 8.499 0.239 25488 14 1 1 . 1 1 9 9 GLU N N 9 122.551 122.551 122.526 0.025 25488 15 1 1 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.117 0.135 25488 16 1 1 . 1 1 9 9 GLU H H 9 8.919 8.919 9.091 -0.172 25488 17 1 1 . 1 1 10 10 LEU N N 10 120.638 120.638 119.264 1.374 25488 18 1 1 . 1 1 10 10 LEU H H 10 8.017 8.017 7.942 0.075 25488 19 1 1 . 1 1 11 11 GLN N N 11 119.889 119.889 118.347 1.542 25488 20 1 1 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.981 0.153 25488 21 1 1 . 1 1 11 11 GLN H H 11 7.807 7.807 7.892 -0.085 25488 22 1 1 . 1 1 12 12 TRP N N 12 120.951 120.951 122.341 -1.390 25488 23 1 1 . 1 1 12 12 TRP H H 12 8.202 8.202 7.972 0.230 25488 24 1 1 . 1 1 13 13 GLU N N 13 121.870 121.870 119.480 2.390 25488 25 1 1 . 1 1 13 13 GLU H H 13 8.436 8.436 8.246 0.190 25488 26 1 1 . 1 1 14 14 GLN N N 14 120.646 120.646 119.153 1.493 25488 27 1 1 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.040 0.129 25488 28 1 1 . 1 1 14 14 GLN H H 14 8.159 8.159 7.688 0.471 25488 29 1 1 . 1 1 15 15 ALA N N 15 123.216 123.216 121.467 1.749 25488 30 1 1 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.973 0.365 25488 31 1 1 . 1 1 15 15 ALA H H 15 8.355 8.355 8.195 0.160 25488 32 1 1 . 1 1 16 16 GLN N N 16 117.766 117.766 117.884 -0.118 25488 33 1 1 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.912 -0.207 25488 34 1 1 . 1 1 16 16 GLN H H 16 8.440 8.440 7.868 0.572 25488 35 1 1 . 1 1 17 17 ASP N N 17 120.090 120.090 121.011 -0.921 25488 36 1 1 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.296 0.167 25488 37 1 1 . 1 1 17 17 ASP H H 17 7.899 7.899 8.148 -0.249 25488 38 1 1 . 1 1 18 18 TYR N N 18 122.296 122.296 120.135 2.161 25488 39 1 1 . 1 1 18 18 TYR H H 18 8.264 8.264 7.997 0.267 25488 40 1 1 . 1 1 19 19 LEU N N 19 117.675 117.675 115.931 1.744 25488 41 1 1 . 1 1 19 19 LEU HA H 19 4.125 4.125 2.422 1.703 25488 42 1 1 . 1 1 19 19 LEU H H 19 8.687 8.687 7.215 1.472 25488 43 1 1 . 1 1 20 20 LYS N N 20 124.620 124.620 116.952 7.668 25488 44 1 1 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.001 0.142 25488 45 1 1 . 1 1 20 20 LYS H H 20 8.790 8.790 7.333 1.457 25488 46 1 1 . 1 1 21 21 ARG N N 21 117.608 117.608 117.829 -0.221 25488 47 1 1 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.998 -0.301 25488 48 1 1 . 1 1 21 21 ARG H H 21 7.835 7.835 7.059 0.776 25488 49 1 1 . 1 1 22 22 PHE N N 22 112.136 112.136 117.705 -5.569 25488 50 1 1 . 1 1 22 22 PHE H H 22 8.003 8.003 7.497 0.506 25488 51 1 1 . 1 1 23 23 TYR N N 23 116.244 116.244 113.590 2.654 25488 52 1 1 . 1 1 23 23 TYR H H 23 7.678 7.678 7.369 0.309 25488 53 1 1 . 1 1 24 24 LEU N N 24 115.582 115.582 118.925 -3.343 25488 54 1 1 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.939 0.196 25488 55 1 1 . 1 1 24 24 LEU H H 24 7.238 7.238 7.608 -0.370 25488 56 1 1 . 1 1 25 25 TYR N N 25 119.996 119.996 114.252 5.744 25488 57 1 1 . 1 1 25 25 TYR HA H 25 4.405 4.405 5.038 -0.633 25488 58 1 1 . 1 1 25 25 TYR H H 25 7.826 7.826 7.127 0.699 25488 59 1 1 . 1 1 26 26 ASP N N 26 129.292 129.292 121.192 8.100 25488 60 1 1 . 1 1 26 26 ASP HA H 26 4.461 4.461 5.025 -0.564 25488 61 1 1 . 1 1 26 26 ASP H H 26 8.121 8.121 8.575 -0.454 25488 62 1 1 . 1 1 28 28 GLU N N 28 122.115 122.115 120.174 1.941 25488 63 1 1 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.412 -0.131 25488 64 1 1 . 1 1 28 28 GLU H H 28 8.262 8.262 8.480 -0.218 25488 65 1 1 . 1 1 29 29 THR N N 29 114.171 114.171 114.373 -0.202 25488 66 1 1 . 1 1 29 29 THR HA H 29 4.222 4.222 4.283 -0.061 25488 67 1 1 . 1 1 29 29 THR H H 29 7.496 7.496 7.703 -0.207 25488 68 1 1 . 1 1 30 30 LYS N N 30 123.019 123.019 122.213 0.806 25488 69 1 1 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.258 -0.040 25488 70 1 1 . 1 1 30 30 LYS H H 30 8.154 8.154 7.460 0.694 25488 71 1 1 . 1 1 32 32 ALA N N 32 126.481 126.481 127.331 -0.850 25488 72 1 1 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.002 0.248 25488 73 1 1 . 1 1 32 32 ALA H H 32 8.424 8.424 8.696 -0.272 25488 74 1 1 . 1 1 33 33 ASN N N 33 116.834 116.834 116.616 0.218 25488 75 1 1 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.441 0.257 25488 76 1 1 . 1 1 33 33 ASN H H 33 8.312 8.312 8.138 0.174 25488 77 1 1 . 1 1 34 34 SER N N 34 116.960 116.960 115.386 1.574 25488 78 1 1 . 1 1 34 34 SER HA H 34 4.522 4.522 4.452 0.070 25488 79 1 1 . 1 1 34 34 SER H H 34 8.112 8.112 7.780 0.332 25488 80 1 1 . 1 1 35 35 LEU N N 35 125.335 125.335 124.409 0.926 25488 81 1 1 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.025 -0.474 25488 82 1 1 . 1 1 35 35 LEU H H 35 8.324 8.324 8.539 -0.215 25488 83 1 1 . 1 1 36 36 GLU N N 36 119.302 119.302 118.535 0.767 25488 84 1 1 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.149 -0.206 25488 85 1 1 . 1 1 36 36 GLU H H 36 8.239 8.239 8.147 0.092 25488 86 1 1 . 1 1 37 37 ALA N N 37 120.683 120.683 122.321 -1.638 25488 87 1 1 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.201 -0.154 25488 88 1 1 . 1 1 37 37 ALA H H 37 7.898 7.898 7.526 0.372 25488 89 1 1 . 1 1 38 38 LYS N N 38 119.470 119.470 118.700 0.770 25488 90 1 1 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.164 0.169 25488 91 1 1 . 1 1 38 38 LYS H H 38 8.217 8.217 8.213 0.004 25488 92 1 1 . 1 1 39 39 LEU N N 39 122.664 122.664 120.938 1.726 25488 93 1 1 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.174 -0.260 25488 94 1 1 . 1 1 39 39 LEU H H 39 8.658 8.658 8.254 0.404 25488 95 1 1 . 1 1 40 40 LYS N N 40 118.301 118.301 117.858 0.443 25488 96 1 1 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.990 0.683 25488 97 1 1 . 1 1 40 40 LYS H H 40 8.221 8.221 7.584 0.637 25488 98 1 1 . 1 1 41 41 GLU N N 41 121.462 121.462 119.516 1.946 25488 99 1 1 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.276 -0.208 25488 100 1 1 . 1 1 41 41 GLU H H 41 7.736 7.736 7.396 0.340 25488 101 1 1 . 1 1 42 42 MET N N 42 123.761 123.761 120.089 3.672 25488 102 1 1 . 1 1 42 42 MET HA H 42 4.046 4.046 4.249 -0.203 25488 103 1 1 . 1 1 42 42 MET H H 42 7.672 7.672 8.098 -0.426 25488 104 1 1 . 1 1 43 43 GLN N N 43 120.035 120.035 116.999 3.036 25488 105 1 1 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.109 -0.313 25488 106 1 1 . 1 1 43 43 GLN H H 43 8.904 8.904 8.008 0.896 25488 107 1 1 . 1 1 44 44 LYS N N 44 119.131 119.131 121.632 -2.501 25488 108 1 1 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.217 -0.165 25488 109 1 1 . 1 1 44 44 LYS H H 44 8.511 8.511 7.427 1.084 25488 110 1 1 . 1 1 45 45 PHE N N 45 123.544 123.544 119.656 3.888 25488 111 1 1 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.217 -0.367 25488 112 1 1 . 1 1 45 45 PHE H H 45 8.438 8.438 8.215 0.223 25488 113 1 1 . 1 1 46 46 PHE N N 46 112.789 112.789 115.358 -2.569 25488 114 1 1 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.232 0.350 25488 115 1 1 . 1 1 46 46 PHE H H 46 8.273 8.273 7.921 0.352 25488 116 1 1 . 1 1 47 47 GLY N N 47 110.408 110.408 107.244 3.164 25488 117 1 1 . 1 1 47 47 GLY H H 47 7.922 7.922 7.827 0.095 25488 118 1 1 . 1 1 48 48 LEU N N 48 121.853 121.853 122.772 -0.919 25488 119 1 1 . 1 1 48 48 LEU H H 48 8.747 8.747 8.197 0.550 25488 120 1 1 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.480 -0.279 25488 121 1 1 . 1 1 50 50 ILE N N 50 127.000 127.000 119.198 7.802 25488 122 1 1 . 1 1 50 50 ILE H H 50 8.529 8.529 7.205 1.324 25488 123 1 1 . 1 1 51 51 THR N N 51 116.519 116.519 117.253 -0.734 25488 124 1 1 . 1 1 51 51 THR H H 51 7.980 7.980 8.389 -0.409 25488 125 1 1 . 1 1 52 52 GLY N N 52 112.725 112.725 115.250 -2.525 25488 126 1 1 . 1 1 52 52 GLY H H 52 9.483 9.483 8.890 0.593 25488 127 1 1 . 1 1 53 53 MET N N 53 116.735 116.735 120.082 -3.347 25488 128 1 1 . 1 1 53 53 MET HA H 53 4.044 4.044 4.622 -0.578 25488 129 1 1 . 1 1 53 53 MET H H 53 7.969 7.969 8.680 -0.711 25488 130 1 1 . 1 1 54 54 LEU N N 54 122.602 122.602 125.796 -3.194 25488 131 1 1 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.462 -0.756 25488 132 1 1 . 1 1 54 54 LEU H H 54 7.926 7.926 8.283 -0.357 25488 133 1 1 . 1 1 55 55 ASN N N 55 115.755 115.755 121.744 -5.989 25488 134 1 1 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.856 -0.116 25488 135 1 1 . 1 1 55 55 ASN H H 55 6.555 6.555 8.433 -1.878 25488 136 1 1 . 1 1 56 56 SER N N 56 121.450 121.450 121.012 0.438 25488 137 1 1 . 1 1 56 56 SER HA H 56 4.662 4.662 4.289 0.373 25488 138 1 1 . 1 1 56 56 SER H H 56 8.205 8.205 9.006 -0.801 25488 139 1 1 . 1 1 57 57 ARG N N 57 123.219 123.219 122.856 0.363 25488 140 1 1 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.995 0.211 25488 141 1 1 . 1 1 57 57 ARG H H 57 7.883 7.883 8.222 -0.339 25488 142 1 1 . 1 1 58 58 VAL N N 58 118.843 118.843 117.153 1.690 25488 143 1 1 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.789 -0.489 25488 144 1 1 . 1 1 58 58 VAL H H 58 7.594 7.594 7.955 -0.361 25488 145 1 1 . 1 1 59 59 ILE N N 59 119.212 119.212 120.548 -1.336 25488 146 1 1 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.442 0.027 25488 147 1 1 . 1 1 59 59 ILE H H 59 7.326 7.326 7.462 -0.136 25488 148 1 1 . 1 1 60 60 GLU N N 60 119.544 119.544 120.201 -0.657 25488 149 1 1 . 1 1 60 60 GLU H H 60 7.880 7.880 7.894 -0.014 25488 150 1 1 . 1 1 61 61 ILE N N 61 118.812 118.812 112.809 6.003 25488 151 1 1 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.514 -0.072 25488 152 1 1 . 1 1 61 61 ILE H H 61 7.217 7.217 7.037 0.180 25488 153 1 1 . 1 1 62 62 MET N N 62 120.202 120.202 118.100 2.102 25488 154 1 1 . 1 1 62 62 MET HA H 62 3.419 3.419 4.336 -0.917 25488 155 1 1 . 1 1 62 62 MET H H 62 7.820 7.820 7.262 0.558 25488 156 1 1 . 1 1 63 63 GLN N N 63 116.274 116.274 115.688 0.586 25488 157 1 1 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.478 -0.237 25488 158 1 1 . 1 1 63 63 GLN H H 63 7.442 7.442 7.872 -0.430 25488 159 1 1 . 1 1 64 64 LYS N N 64 121.450 121.450 122.263 -0.813 25488 160 1 1 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.137 0.362 25488 161 1 1 . 1 1 64 64 LYS H H 64 7.474 7.474 7.457 0.017 25488 162 1 1 . 1 1 66 66 ARG N N 66 113.173 113.173 119.491 -6.318 25488 163 1 1 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.330 0.109 25488 164 1 1 . 1 1 66 66 ARG H H 66 8.151 8.151 7.462 0.689 25488 165 1 1 . 1 1 67 67 CYS N N 67 121.794 121.794 118.351 3.443 25488 166 1 1 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.986 -0.566 25488 167 1 1 . 1 1 67 67 CYS H H 67 7.709 7.709 8.360 -0.651 25488 168 1 1 . 1 1 68 68 GLY N N 68 116.255 116.255 108.512 7.743 25488 169 1 1 . 1 1 68 68 GLY H H 68 9.707 9.707 8.328 1.379 25488 170 1 1 . 1 1 69 69 VAL N N 69 126.541 126.541 114.916 11.625 25488 171 1 1 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.549 -0.742 25488 172 1 1 . 1 1 69 69 VAL H H 69 9.118 9.118 7.047 2.071 25488 173 1 1 . 1 1 71 71 ASP N N 71 119.114 119.114 125.959 -6.845 25488 174 1 1 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.725 -0.242 25488 175 1 1 . 1 1 71 71 ASP H H 71 8.067 8.067 8.592 -0.525 25488 176 1 1 . 1 1 72 72 VAL N N 72 112.988 112.988 119.153 -6.165 25488 177 1 1 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.245 0.036 25488 178 1 1 . 1 1 72 72 VAL H H 72 6.438 6.438 7.146 -0.708 25488 179 1 1 . 1 1 73 73 ALA N N 73 125.902 125.902 126.819 -0.917 25488 180 1 1 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.216 0.051 25488 181 1 1 . 1 1 73 73 ALA H H 73 8.171 8.171 8.423 -0.252 25488 182 1 1 . 1 1 74 74 GLU N N 74 120.835 120.835 123.927 -3.092 25488 183 1 1 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.457 -0.374 25488 184 1 1 . 1 1 74 74 GLU H H 74 8.385 8.385 7.741 0.644 25488 185 1 1 . 1 1 75 75 TYR N N 75 121.820 121.820 119.688 2.132 25488 186 1 1 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.162 0.232 25488 187 1 1 . 1 1 75 75 TYR H H 75 8.102 8.102 8.778 -0.676 25488 188 1 1 . 1 1 76 76 SER N N 76 117.881 117.881 115.058 2.823 25488 189 1 1 . 1 1 76 76 SER H H 76 7.718 7.718 8.539 -0.821 25488 190 1 1 . 1 1 77 77 LEU N N 77 123.835 123.835 121.816 2.019 25488 191 1 1 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.710 -0.618 25488 192 1 1 . 1 1 77 77 LEU H H 77 8.033 8.033 7.800 0.233 25488 193 1 1 . 1 1 78 78 PHE N N 78 118.893 118.893 122.023 -3.130 25488 194 1 1 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.943 -0.098 25488 195 1 1 . 1 1 78 78 PHE H H 78 7.822 7.822 8.703 -0.881 25488 196 1 1 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.237 0.094 25488 197 1 1 . 1 1 80 80 ASN N N 80 118.184 118.184 122.917 -4.733 25488 198 1 1 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.590 0.090 25488 199 1 1 . 1 1 80 80 ASN H H 80 8.106 8.106 7.637 0.469 25488 200 1 1 . 1 1 81 81 SER HA H 81 4.636 4.636 4.489 0.147 25488 201 1 1 . 1 1 83 83 LYS N N 83 114.696 114.696 119.189 -4.493 25488 202 1 1 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.444 -0.221 25488 203 1 1 . 1 1 83 83 LYS H H 83 7.361 7.361 7.918 -0.557 25488 204 1 1 . 1 1 84 84 TRP N N 84 122.459 122.459 123.039 -0.580 25488 205 1 1 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.700 -0.697 25488 206 1 1 . 1 1 84 84 TRP H H 84 8.020 8.020 8.526 -0.506 25488 207 1 1 . 1 1 85 85 THR N N 85 113.482 113.482 116.889 -3.407 25488 208 1 1 . 1 1 85 85 THR HA H 85 4.586 4.586 4.469 0.117 25488 209 1 1 . 1 1 85 85 THR H H 85 8.833 8.833 8.544 0.289 25488 210 1 1 . 1 1 86 86 SER N N 86 117.316 117.316 114.371 2.945 25488 211 1 1 . 1 1 86 86 SER HA H 86 4.665 4.665 4.753 -0.088 25488 212 1 1 . 1 1 86 86 SER H H 86 7.724 7.724 7.542 0.182 25488 213 1 1 . 1 1 87 87 LYS N N 87 120.411 120.411 119.012 1.399 25488 214 1 1 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.555 -0.416 25488 215 1 1 . 1 1 87 87 LYS H H 87 8.312 8.312 8.428 -0.116 25488 216 1 1 . 1 1 88 88 VAL N N 88 117.674 117.674 121.128 -3.454 25488 217 1 1 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.636 0.015 25488 218 1 1 . 1 1 88 88 VAL H H 88 7.425 7.425 7.729 -0.304 25488 219 1 1 . 1 1 89 89 VAL N N 89 131.493 131.493 127.470 4.023 25488 220 1 1 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.352 -0.211 25488 221 1 1 . 1 1 89 89 VAL H H 89 8.574 8.574 9.026 -0.452 25488 222 1 1 . 1 1 90 90 THR N N 90 118.245 118.245 115.708 2.537 25488 223 1 1 . 1 1 90 90 THR HA H 90 5.627 5.627 5.444 0.183 25488 224 1 1 . 1 1 90 90 THR H H 90 9.021 9.021 9.553 -0.532 25488 225 1 1 . 1 1 91 91 TYR N N 91 118.267 118.267 114.903 3.364 25488 226 1 1 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.374 0.300 25488 227 1 1 . 1 1 91 91 TYR H H 91 8.555 8.555 8.347 0.208 25488 228 1 1 . 1 1 92 92 ARG N N 92 120.260 120.260 121.712 -1.452 25488 229 1 1 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.142 -0.496 25488 230 1 1 . 1 1 92 92 ARG H H 92 8.513 8.513 8.980 -0.467 25488 231 1 1 . 1 1 93 93 ILE N N 93 128.361 128.361 127.933 0.428 25488 232 1 1 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.465 0.154 25488 233 1 1 . 1 1 93 93 ILE H H 93 8.878 8.878 9.077 -0.199 25488 234 1 1 . 1 1 94 94 VAL N N 94 126.374 126.374 127.763 -1.389 25488 235 1 1 . 1 1 94 94 VAL HA H 94 4.000 4.000 3.982 0.018 25488 236 1 1 . 1 1 94 94 VAL H H 94 9.492 9.492 8.938 0.554 25488 237 1 1 . 1 1 95 95 SER N N 95 113.303 113.303 113.527 -0.224 25488 238 1 1 . 1 1 95 95 SER HA H 95 4.705 4.705 4.544 0.161 25488 239 1 1 . 1 1 95 95 SER H H 95 7.431 7.431 7.716 -0.285 25488 240 1 1 . 1 1 96 96 TYR N N 96 117.054 117.054 115.138 1.916 25488 241 1 1 . 1 1 96 96 TYR H H 96 8.255 8.255 7.669 0.586 25488 242 1 1 . 1 1 98 98 ARG N N 98 128.445 128.445 122.781 5.664 25488 243 1 1 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.338 -0.000 25488 244 1 1 . 1 1 98 98 ARG H H 98 8.964 8.964 8.507 0.457 25488 245 1 1 . 1 1 99 99 ASP N N 99 120.412 120.412 120.053 0.359 25488 246 1 1 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.576 -0.241 25488 247 1 1 . 1 1 99 99 ASP H H 99 8.695 8.695 8.536 0.159 25488 248 1 1 . 1 1 100 100 LEU N N 100 116.851 116.851 119.249 -2.398 25488 249 1 1 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.680 0.253 25488 250 1 1 . 1 1 100 100 LEU H H 100 6.902 6.902 7.423 -0.521 25488 251 1 1 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.859 0.308 25488 252 1 1 . 1 1 103 103 ILE N N 103 115.469 115.469 114.028 1.441 25488 253 1 1 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.744 0.429 25488 254 1 1 . 1 1 103 103 ILE H H 103 8.296 8.296 7.981 0.315 25488 255 1 1 . 1 1 104 104 THR N N 104 119.413 119.413 111.870 7.543 25488 256 1 1 . 1 1 104 104 THR HA H 104 4.019 4.019 4.085 -0.066 25488 257 1 1 . 1 1 104 104 THR H H 104 6.915 6.915 7.620 -0.705 25488 258 1 1 . 1 1 105 105 VAL N N 105 123.232 123.232 119.925 3.307 25488 259 1 1 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.755 -0.341 25488 260 1 1 . 1 1 105 105 VAL H H 105 7.379 7.379 7.168 0.211 25488 261 1 1 . 1 1 106 106 ASP N N 106 120.160 120.160 119.967 0.193 25488 262 1 1 . 1 1 106 106 ASP H H 106 8.615 8.615 7.708 0.907 25488 263 1 1 . 1 1 107 107 ARG N N 107 121.041 121.041 117.184 3.857 25488 264 1 1 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.258 -0.168 25488 265 1 1 . 1 1 107 107 ARG H H 107 8.372 8.372 8.227 0.145 25488 266 1 1 . 1 1 108 108 LEU N N 108 121.644 121.644 119.870 1.774 25488 267 1 1 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.362 -0.109 25488 268 1 1 . 1 1 108 108 LEU H H 108 8.768 8.768 8.145 0.623 25488 269 1 1 . 1 1 109 109 VAL N N 109 120.347 120.347 117.853 2.494 25488 270 1 1 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.579 -0.208 25488 271 1 1 . 1 1 109 109 VAL H H 109 8.762 8.762 8.849 -0.087 25488 272 1 1 . 1 1 110 110 SER N N 110 112.949 112.949 116.816 -3.867 25488 273 1 1 . 1 1 110 110 SER HA H 110 4.270 4.270 3.929 0.341 25488 274 1 1 . 1 1 110 110 SER H H 110 7.605 7.605 7.966 -0.361 25488 275 1 1 . 1 1 111 111 LYS N N 111 122.434 122.434 121.609 0.825 25488 276 1 1 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.047 -0.005 25488 277 1 1 . 1 1 111 111 LYS H H 111 8.146 8.146 7.586 0.560 25488 278 1 1 . 1 1 112 112 ALA N N 112 124.099 124.099 122.073 2.026 25488 279 1 1 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.035 0.042 25488 280 1 1 . 1 1 112 112 ALA H H 112 8.270 8.270 7.532 0.739 25488 281 1 1 . 1 1 113 113 LEU N N 113 116.251 116.251 119.154 -2.903 25488 282 1 1 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.879 -0.157 25488 283 1 1 . 1 1 113 113 LEU H H 113 8.019 8.019 8.080 -0.061 25488 284 1 1 . 1 1 114 114 ASN N N 114 116.659 116.659 117.316 -0.657 25488 285 1 1 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.456 0.073 25488 286 1 1 . 1 1 114 114 ASN H H 114 8.197 8.197 8.462 -0.265 25488 287 1 1 . 1 1 115 115 MET N N 115 122.118 122.118 119.036 3.082 25488 288 1 1 . 1 1 115 115 MET HA H 115 4.013 4.013 4.085 -0.072 25488 289 1 1 . 1 1 115 115 MET H H 115 7.918 7.918 7.386 0.532 25488 290 1 1 . 1 1 116 116 TRP N N 116 117.117 117.117 117.973 -0.856 25488 291 1 1 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.520 -0.010 25488 292 1 1 . 1 1 116 116 TRP H H 116 6.773 6.773 7.384 -0.611 25488 293 1 1 . 1 1 117 117 GLY N N 117 104.656 104.656 105.790 -1.134 25488 294 1 1 . 1 1 117 117 GLY H H 117 9.305 9.305 8.663 0.642 25488 295 1 1 . 1 1 118 118 LYS N N 118 118.567 118.567 120.179 -1.612 25488 296 1 1 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.122 0.055 25488 297 1 1 . 1 1 118 118 LYS H H 118 7.947 7.947 7.854 0.093 25488 298 1 1 . 1 1 119 119 GLU N N 119 113.899 113.899 117.800 -3.901 25488 299 1 1 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.299 0.509 25488 300 1 1 . 1 1 119 119 GLU H H 119 7.773 7.773 8.164 -0.391 25488 301 1 1 . 1 1 120 120 ILE N N 120 111.215 111.215 119.815 -8.600 25488 302 1 1 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.890 0.431 25488 303 1 1 . 1 1 120 120 ILE H H 120 7.528 7.528 7.920 -0.392 25488 304 1 1 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.219 0.402 25488 305 1 1 . 1 1 122 122 LEU N N 122 121.481 121.481 120.318 1.163 25488 306 1 1 . 1 1 122 122 LEU HA H 122 4.292 4.292 3.981 0.311 25488 307 1 1 . 1 1 122 122 LEU H H 122 6.815 6.815 7.468 -0.653 25488 308 1 1 . 1 1 123 123 HIS N N 123 120.769 120.769 123.448 -2.679 25488 309 1 1 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.495 0.097 25488 310 1 1 . 1 1 123 123 HIS H H 123 7.709 7.709 8.765 -1.056 25488 311 1 1 . 1 1 124 124 PHE N N 124 120.530 120.530 122.476 -1.946 25488 312 1 1 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.579 0.233 25488 313 1 1 . 1 1 124 124 PHE H H 124 8.306 8.306 8.639 -0.333 25488 314 1 1 . 1 1 125 125 ARG N N 125 123.891 123.891 124.148 -0.257 25488 315 1 1 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.778 -0.125 25488 316 1 1 . 1 1 125 125 ARG H H 125 8.408 8.408 8.693 -0.285 25488 317 1 1 . 1 1 126 126 LYS N N 126 130.178 130.178 125.318 4.860 25488 318 1 1 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.824 -0.463 25488 319 1 1 . 1 1 126 126 LYS H H 126 8.468 8.468 8.409 0.059 25488 320 1 1 . 1 1 127 127 VAL N N 127 125.180 125.180 126.570 -1.390 25488 321 1 1 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.071 0.437 25488 322 1 1 . 1 1 127 127 VAL H H 127 8.679 8.679 8.565 0.114 25488 323 1 1 . 1 1 128 128 VAL N N 128 117.584 117.584 121.042 -3.458 25488 324 1 1 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.466 -0.180 25488 325 1 1 . 1 1 128 128 VAL H H 128 8.469 8.469 8.229 0.240 25488 326 1 1 . 1 1 129 129 TRP N N 129 119.805 119.805 119.278 0.527 25488 327 1 1 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.909 -0.223 25488 328 1 1 . 1 1 129 129 TRP H H 129 7.447 7.447 7.089 0.358 25488 329 1 1 . 1 1 130 130 GLY N N 130 109.844 109.844 111.445 -1.601 25488 330 1 1 . 1 1 130 130 GLY H H 130 8.072 8.072 8.384 -0.312 25488 331 1 1 . 1 1 131 131 THR N N 131 116.125 116.125 110.745 5.380 25488 332 1 1 . 1 1 131 131 THR HA H 131 4.123 4.123 4.350 -0.227 25488 333 1 1 . 1 1 131 131 THR H H 131 8.196 8.196 8.189 0.007 25488 334 1 1 . 1 1 132 132 ALA N N 132 129.613 129.613 126.363 3.250 25488 335 1 1 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.458 0.053 25488 336 1 1 . 1 1 132 132 ALA H H 132 7.919 7.919 7.740 0.179 25488 337 1 1 . 1 1 133 133 ASP N N 133 123.004 123.004 120.366 2.638 25488 338 1 1 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.474 -0.032 25488 339 1 1 . 1 1 133 133 ASP H H 133 8.248 8.248 8.342 -0.094 25488 340 1 1 . 1 1 134 134 ILE N N 134 125.478 125.478 121.609 3.869 25488 341 1 1 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.523 -0.430 25488 342 1 1 . 1 1 134 134 ILE H H 134 8.804 8.804 7.910 0.894 25488 343 1 1 . 1 1 135 135 MET N N 135 127.471 127.471 127.749 -0.278 25488 344 1 1 . 1 1 135 135 MET HA H 135 5.194 5.194 4.901 0.293 25488 345 1 1 . 1 1 135 135 MET H H 135 7.437 7.437 9.365 -1.928 25488 346 1 1 . 1 1 136 136 ILE N N 136 125.040 125.040 125.271 -0.231 25488 347 1 1 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.884 0.693 25488 348 1 1 . 1 1 136 136 ILE H H 136 9.085 9.085 9.072 0.013 25488 349 1 1 . 1 1 137 137 GLY N N 137 112.059 112.059 113.185 -1.126 25488 350 1 1 . 1 1 137 137 GLY H H 137 8.568 8.568 8.264 0.304 25488 351 1 1 . 1 1 138 138 PHE N N 138 119.447 119.447 122.609 -3.162 25488 352 1 1 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.421 0.033 25488 353 1 1 . 1 1 138 138 PHE H H 138 7.861 7.861 8.536 -0.675 25488 354 1 1 . 1 1 139 139 ALA N N 139 123.657 123.657 126.401 -2.744 25488 355 1 1 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.813 -0.078 25488 356 1 1 . 1 1 139 139 ALA H H 139 8.939 8.939 9.293 -0.354 25488 357 1 1 . 1 1 140 140 ARG N N 140 118.688 118.688 120.774 -2.086 25488 358 1 1 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.565 0.509 25488 359 1 1 . 1 1 140 140 ARG H H 140 8.563 8.563 8.730 -0.167 25488 360 1 1 . 1 1 141 141 GLY N N 141 108.964 108.964 110.674 -1.710 25488 361 1 1 . 1 1 141 141 GLY H H 141 9.018 9.018 9.266 -0.248 25488 362 1 1 . 1 1 143 143 HIS N N 143 120.218 120.218 116.242 3.976 25488 363 1 1 . 1 1 143 143 HIS H H 143 8.998 8.998 7.680 1.318 25488 364 1 1 . 1 1 145 145 ASP N N 145 117.684 117.684 122.620 -4.936 25488 365 1 1 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.679 0.021 25488 366 1 1 . 1 1 145 145 ASP H H 145 7.088 7.088 8.071 -0.983 25488 367 1 1 . 1 1 146 146 SER HA H 146 4.140 4.140 4.140 0.000 25488 368 1 1 . 1 1 146 146 SER H H 146 8.220 8.220 8.323 -0.103 25488 369 1 1 . 1 1 147 147 TYR N N 147 120.867 120.867 114.714 6.153 25488 370 1 1 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.275 0.513 25488 371 1 1 . 1 1 147 147 TYR H H 147 7.459 7.459 8.025 -0.566 25488 372 1 1 . 1 1 149 149 PHE N N 149 120.630 120.630 119.590 1.040 25488 373 1 1 . 1 1 149 149 PHE H H 149 8.018 8.018 8.260 -0.242 25488 374 1 1 . 1 1 150 150 ASP N N 150 115.626 115.626 119.030 -3.404 25488 375 1 1 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.384 0.459 25488 376 1 1 . 1 1 150 150 ASP H H 150 7.543 7.543 8.051 -0.508 25488 377 1 1 . 1 1 151 151 GLY N N 151 110.700 110.700 108.135 2.565 25488 378 1 1 . 1 1 151 151 GLY H H 151 9.074 9.074 8.298 0.776 25488 379 1 1 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.393 -0.367 25488 380 1 1 . 1 1 153 153 GLY N N 153 118.786 118.786 114.196 4.590 25488 381 1 1 . 1 1 153 153 GLY H H 153 11.385 11.385 9.170 2.215 25488 382 1 1 . 1 1 154 154 ASN N N 154 120.613 120.613 118.811 1.802 25488 383 1 1 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.200 -0.002 25488 384 1 1 . 1 1 154 154 ASN H H 154 9.225 9.225 8.357 0.868 25488 385 1 1 . 1 1 155 155 THR N N 155 118.700 118.700 115.215 3.485 25488 386 1 1 . 1 1 155 155 THR HA H 155 5.542 5.542 4.342 1.200 25488 387 1 1 . 1 1 155 155 THR H H 155 9.519 9.519 8.487 1.032 25488 388 1 1 . 1 1 156 156 LEU N N 156 122.765 122.765 117.887 4.878 25488 389 1 1 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.110 -0.168 25488 390 1 1 . 1 1 156 156 LEU H H 156 8.500 8.500 8.337 0.163 25488 391 1 1 . 1 1 157 157 ALA N N 157 115.545 115.545 119.436 -3.891 25488 392 1 1 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.000 0.007 25488 393 1 1 . 1 1 157 157 ALA H H 157 7.545 7.545 7.560 -0.015 25488 394 1 1 . 1 1 158 158 HIS N N 158 111.868 111.868 116.359 -4.491 25488 395 1 1 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.662 -0.045 25488 396 1 1 . 1 1 158 158 HIS H H 158 8.774 8.774 7.770 1.004 25488 397 1 1 . 1 1 159 159 ALA N N 159 118.565 118.565 121.971 -3.406 25488 398 1 1 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.803 -0.146 25488 399 1 1 . 1 1 159 159 ALA H H 159 6.114 6.114 8.146 -2.032 25488 400 1 1 . 1 1 160 160 PHE N N 160 118.042 118.042 123.861 -5.819 25488 401 1 1 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.775 -0.294 25488 402 1 1 . 1 1 160 160 PHE H H 160 7.897 7.897 8.995 -1.098 25488 403 1 1 . 1 1 161 161 ALA N N 161 123.548 123.548 125.036 -1.488 25488 404 1 1 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.841 -0.358 25488 405 1 1 . 1 1 161 161 ALA H H 161 8.089 8.089 8.513 -0.424 25488 406 1 1 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.227 -0.356 25488 407 1 1 . 1 1 163 163 GLY N N 163 107.255 107.255 109.156 -1.901 25488 408 1 1 . 1 1 163 163 GLY H H 163 5.992 5.992 7.387 -1.395 25488 409 1 1 . 1 1 165 165 GLY H H 165 9.149 9.149 7.797 1.352 25488 410 1 1 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.180 -0.027 25488 411 1 1 . 1 1 167 167 GLY N N 167 103.338 103.338 103.406 -0.068 25488 412 1 1 . 1 1 167 167 GLY H H 167 7.774 7.774 7.353 0.421 25488 413 1 1 . 1 1 168 168 GLY N N 168 121.031 121.031 109.118 11.913 25488 414 1 1 . 1 1 168 168 GLY H H 168 7.685 7.685 8.154 -0.469 25488 415 1 1 . 1 1 169 169 ASP N N 169 123.703 123.703 122.201 1.502 25488 416 1 1 . 1 1 169 169 ASP H H 169 8.578 8.578 7.799 0.779 25488 417 1 1 . 1 1 170 170 ALA N N 170 119.569 119.569 122.384 -2.815 25488 418 1 1 . 1 1 170 170 ALA HA H 170 4.704 4.704 5.083 -0.379 25488 419 1 1 . 1 1 170 170 ALA H H 170 8.371 8.371 8.171 0.200 25488 420 1 1 . 1 1 171 171 HIS N N 171 120.286 120.286 118.396 1.890 25488 421 1 1 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.139 0.591 25488 422 1 1 . 1 1 171 171 HIS H H 171 8.513 8.513 7.930 0.583 25488 423 1 1 . 1 1 172 172 PHE N N 172 120.919 120.919 124.153 -3.234 25488 424 1 1 . 1 1 172 172 PHE H H 172 8.457 8.457 9.109 -0.652 25488 425 1 1 . 1 1 173 173 ASP N N 173 123.993 123.993 122.417 1.576 25488 426 1 1 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.131 -1.235 25488 427 1 1 . 1 1 173 173 ASP H H 173 7.915 7.915 9.106 -1.191 25488 428 1 1 . 1 1 174 174 GLU N N 174 132.684 132.684 127.258 5.426 25488 429 1 1 . 1 1 174 174 GLU H H 174 9.461 9.461 8.827 0.634 25488 430 1 1 . 1 1 175 175 ASP N N 175 117.313 117.313 118.087 -0.774 25488 431 1 1 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.861 -0.064 25488 432 1 1 . 1 1 175 175 ASP H H 175 8.756 8.756 8.353 0.403 25488 433 1 1 . 1 1 176 176 GLU N N 176 116.511 116.511 119.478 -2.967 25488 434 1 1 . 1 1 176 176 GLU H H 176 7.154 7.154 7.811 -0.656 25488 435 1 1 . 1 1 177 177 ARG N N 177 121.920 121.920 125.420 -3.500 25488 436 1 1 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.518 0.107 25488 437 1 1 . 1 1 177 177 ARG H H 177 7.555 7.555 8.288 -0.733 25488 438 1 1 . 1 1 178 178 TRP N N 178 129.182 129.182 125.951 3.231 25488 439 1 1 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.292 -0.179 25488 440 1 1 . 1 1 178 178 TRP H H 178 8.788 8.788 8.638 0.150 25488 441 1 1 . 1 1 179 179 THR N N 179 112.874 112.874 114.956 -2.082 25488 442 1 1 . 1 1 179 179 THR HA H 179 5.015 5.015 4.662 0.353 25488 443 1 1 . 1 1 179 179 THR H H 179 8.946 8.946 8.283 0.663 25488 444 1 1 . 1 1 180 180 ASP N N 180 121.969 121.969 124.614 -2.645 25488 445 1 1 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.806 -0.384 25488 446 1 1 . 1 1 180 180 ASP H H 180 8.478 8.478 8.530 -0.052 25488 447 1 1 . 1 1 181 181 GLY N N 181 110.059 110.059 107.077 2.982 25488 448 1 1 . 1 1 181 181 GLY H H 181 8.572 8.572 8.410 0.162 25488 449 1 1 . 1 1 182 182 SER N N 182 115.564 115.564 117.197 -1.633 25488 450 1 1 . 1 1 182 182 SER HA H 182 4.599 4.599 4.434 0.165 25488 451 1 1 . 1 1 182 182 SER H H 182 8.173 8.173 7.964 0.209 25488 452 1 1 . 1 1 183 183 SER N N 183 117.066 117.066 115.380 1.686 25488 453 1 1 . 1 1 183 183 SER H H 183 7.819 7.819 8.756 -0.937 25488 454 1 1 . 1 1 184 184 LEU N N 184 121.954 121.954 117.768 4.186 25488 455 1 1 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.736 -0.374 25488 456 1 1 . 1 1 184 184 LEU H H 184 8.104 8.104 7.898 0.206 25488 457 1 1 . 1 1 185 185 GLY N N 185 108.989 108.989 107.023 1.966 25488 458 1 1 . 1 1 185 185 GLY H H 185 7.954 7.954 7.429 0.525 25488 459 1 1 . 1 1 186 186 ILE N N 186 123.084 123.084 119.043 4.041 25488 460 1 1 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.205 -0.426 25488 461 1 1 . 1 1 186 186 ILE H H 186 8.878 8.878 8.233 0.645 25488 462 1 1 . 1 1 187 187 ASN N N 187 126.999 126.999 125.969 1.030 25488 463 1 1 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.801 -0.405 25488 464 1 1 . 1 1 187 187 ASN H H 187 8.575 8.575 8.774 -0.199 25488 465 1 1 . 1 1 188 188 PHE N N 188 129.819 129.819 129.048 0.771 25488 466 1 1 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.509 0.082 25488 467 1 1 . 1 1 188 188 PHE H H 188 9.365 9.365 8.716 0.649 25488 468 1 1 . 1 1 189 189 LEU N N 189 119.292 119.292 120.879 -1.587 25488 469 1 1 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.769 0.064 25488 470 1 1 . 1 1 189 189 LEU H H 189 8.551 8.551 7.836 0.715 25488 471 1 1 . 1 1 191 191 ALA N N 191 120.347 120.347 121.642 -1.295 25488 472 1 1 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.903 0.394 25488 473 1 1 . 1 1 191 191 ALA H H 191 7.973 7.973 8.019 -0.046 25488 474 1 1 . 1 1 192 192 ALA N N 192 121.365 121.365 121.033 0.332 25488 475 1 1 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.014 0.003 25488 476 1 1 . 1 1 192 192 ALA H H 192 9.258 9.258 8.559 0.699 25488 477 1 1 . 1 1 193 193 THR N N 193 117.027 117.027 114.821 2.206 25488 478 1 1 . 1 1 193 193 THR HA H 193 3.825 3.825 3.927 -0.102 25488 479 1 1 . 1 1 193 193 THR H H 193 8.209 8.209 7.722 0.487 25488 480 1 1 . 1 1 194 194 HIS N N 194 120.231 120.231 120.293 -0.062 25488 481 1 1 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.489 -0.256 25488 482 1 1 . 1 1 194 194 HIS H H 194 7.805 7.805 7.853 -0.048 25488 483 1 1 . 1 1 195 195 ALA N N 195 121.346 121.346 122.997 -1.651 25488 484 1 1 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.020 0.160 25488 485 1 1 . 1 1 195 195 ALA H H 195 8.693 8.693 7.534 1.159 25488 486 1 1 . 1 1 196 196 LEU N N 196 114.951 114.951 117.638 -2.687 25488 487 1 1 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.054 0.104 25488 488 1 1 . 1 1 196 196 LEU H H 196 8.714 8.714 8.518 0.196 25488 489 1 1 . 1 1 197 197 GLY N N 197 107.954 107.954 106.314 1.640 25488 490 1 1 . 1 1 197 197 GLY H H 197 7.540 7.540 8.156 -0.616 25488 491 1 1 . 1 1 198 198 HIS N N 198 121.996 121.996 120.732 1.264 25488 492 1 1 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.350 0.459 25488 493 1 1 . 1 1 198 198 HIS H H 198 7.205 7.205 7.538 -0.333 25488 494 1 1 . 1 1 199 199 SER N N 199 118.570 118.570 114.791 3.779 25488 495 1 1 . 1 1 199 199 SER HA H 199 4.448 4.448 4.437 0.011 25488 496 1 1 . 1 1 199 199 SER H H 199 7.886 7.886 7.776 0.110 25488 497 1 1 . 1 1 200 200 LEU N N 200 114.779 114.779 117.447 -2.668 25488 498 1 1 . 1 1 200 200 LEU H H 200 7.106 7.106 7.787 -0.681 25488 499 1 1 . 1 1 201 201 GLY N N 201 108.350 108.350 105.345 3.005 25488 500 1 1 . 1 1 201 201 GLY H H 201 8.213 8.213 7.618 0.595 25488 501 1 1 . 1 1 202 202 MET N N 202 119.623 119.623 119.631 -0.008 25488 502 1 1 . 1 1 202 202 MET HA H 202 4.484 4.484 4.361 0.123 25488 503 1 1 . 1 1 202 202 MET H H 202 8.189 8.189 7.446 0.743 25488 504 1 1 . 1 1 203 203 GLY N N 203 109.770 109.770 106.966 2.804 25488 505 1 1 . 1 1 203 203 GLY H H 203 8.413 8.413 8.395 0.018 25488 506 1 1 . 1 1 204 204 HIS N N 204 115.793 115.793 117.515 -1.722 25488 507 1 1 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.761 0.613 25488 508 1 1 . 1 1 204 204 HIS H H 204 8.383 8.383 8.490 -0.107 25488 509 1 1 . 1 1 205 205 SER N N 205 115.497 115.497 115.138 0.359 25488 510 1 1 . 1 1 205 205 SER HA H 205 4.721 4.721 4.844 -0.123 25488 511 1 1 . 1 1 205 205 SER H H 205 7.223 7.223 8.723 -1.500 25488 512 1 1 . 1 1 206 206 SER N N 206 119.268 119.268 120.174 -0.906 25488 513 1 1 . 1 1 206 206 SER HA H 206 3.721 3.721 4.522 -0.801 25488 514 1 1 . 1 1 206 206 SER H H 206 8.290 8.290 8.796 -0.506 25488 515 1 1 . 1 1 207 207 ASP N N 207 126.656 126.656 123.311 3.345 25488 516 1 1 . 1 1 207 207 ASP H H 207 8.541 8.541 7.470 1.071 25488 517 1 1 . 1 1 209 209 ASN N N 209 115.911 115.911 116.320 -0.409 25488 518 1 1 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.429 0.187 25488 519 1 1 . 1 1 209 209 ASN H H 209 8.374 8.374 7.792 0.582 25488 520 1 1 . 1 1 210 210 ALA N N 210 124.929 124.929 122.047 2.882 25488 521 1 1 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.220 -0.066 25488 522 1 1 . 1 1 210 210 ALA H H 210 8.182 8.182 7.188 0.994 25488 523 1 1 . 1 1 211 211 VAL N N 211 130.383 130.383 120.307 10.076 25488 524 1 1 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.683 0.567 25488 525 1 1 . 1 1 211 211 VAL H H 211 11.554 11.554 8.442 3.112 25488 526 1 1 . 1 1 212 212 MET N N 212 113.319 113.319 115.740 -2.421 25488 527 1 1 . 1 1 212 212 MET H H 212 7.741 7.741 7.663 0.078 25488 528 1 1 . 1 1 213 213 TYR N N 213 130.006 130.006 122.982 7.024 25488 529 1 1 . 1 1 213 213 TYR H H 213 7.899 7.899 7.795 0.104 25488 530 1 1 . 1 1 215 215 THR N N 215 104.747 104.747 109.529 -4.782 25488 531 1 1 . 1 1 215 215 THR HA H 215 4.404 4.404 4.114 0.290 25488 532 1 1 . 1 1 215 215 THR H H 215 6.402 6.402 7.863 -1.461 25488 533 1 1 . 1 1 216 216 TYR N N 216 124.699 124.699 122.613 2.086 25488 534 1 1 . 1 1 216 216 TYR H H 216 8.341 8.341 7.897 0.444 25488 535 1 1 . 1 1 217 217 GLY N N 217 116.288 116.288 111.910 4.378 25488 536 1 1 . 1 1 217 217 GLY H H 217 7.685 7.685 8.169 -0.484 25488 537 1 1 . 1 1 218 218 ASN N N 218 119.920 119.920 116.282 3.638 25488 538 1 1 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.856 -0.236 25488 539 1 1 . 1 1 218 218 ASN H H 218 8.221 8.221 8.742 -0.521 25488 540 1 1 . 1 1 219 219 GLY N N 219 109.601 109.601 107.588 2.013 25488 541 1 1 . 1 1 219 219 GLY H H 219 8.072 8.072 7.788 0.284 25488 542 1 1 . 1 1 220 220 ASP N N 220 123.006 123.006 119.864 3.142 25488 543 1 1 . 1 1 220 220 ASP H H 220 8.280 8.280 8.197 0.083 25488 544 1 1 . 1 1 222 222 GLN N N 222 116.642 116.642 121.758 -5.116 25488 545 1 1 . 1 1 222 222 GLN H H 222 8.215 8.215 8.482 -0.267 25488 546 1 1 . 1 1 223 223 ASN N N 223 118.361 118.361 117.840 0.521 25488 547 1 1 . 1 1 223 223 ASN H H 223 7.970 7.970 8.170 -0.200 25488 548 1 1 . 1 1 225 225 LYS N N 225 122.215 122.215 123.584 -1.369 25488 549 1 1 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.422 -0.006 25488 550 1 1 . 1 1 225 225 LYS H H 225 7.656 7.656 7.689 -0.033 25488 551 1 1 . 1 1 226 226 LEU N N 226 119.165 119.165 120.163 -0.998 25488 552 1 1 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.540 -0.452 25488 553 1 1 . 1 1 226 226 LEU H H 226 7.984 7.984 8.231 -0.247 25488 554 1 1 . 1 1 227 227 SER N N 227 120.520 120.520 116.163 4.357 25488 555 1 1 . 1 1 227 227 SER HA H 227 4.676 4.676 4.503 0.173 25488 556 1 1 . 1 1 227 227 SER H H 227 9.646 9.646 8.366 1.280 25488 557 1 1 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.262 0.412 25488 558 1 1 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.313 0.061 25488 559 1 1 . 1 1 229 229 ASP H H 229 8.113 8.113 8.428 -0.315 25488 560 1 1 . 1 1 230 230 ASP N N 230 119.878 119.878 118.331 1.547 25488 561 1 1 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.445 -0.107 25488 562 1 1 . 1 1 230 230 ASP H H 230 7.397 7.397 7.617 -0.220 25488 563 1 1 . 1 1 231 231 ILE N N 231 120.389 120.389 120.195 0.194 25488 564 1 1 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.745 -0.090 25488 565 1 1 . 1 1 231 231 ILE H H 231 8.100 8.100 7.389 0.711 25488 566 1 1 . 1 1 232 232 LYS N N 232 119.084 119.084 120.794 -1.710 25488 567 1 1 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.992 0.103 25488 568 1 1 . 1 1 232 232 LYS H H 232 8.581 8.581 8.320 0.261 25488 569 1 1 . 1 1 233 233 GLY N N 233 106.424 106.424 105.513 0.911 25488 570 1 1 . 1 1 233 233 GLY H H 233 8.061 8.061 7.604 0.457 25488 571 1 1 . 1 1 234 234 ILE N N 234 125.166 125.166 121.318 3.848 25488 572 1 1 . 1 1 234 234 ILE H H 234 8.517 8.517 7.849 0.668 25488 573 1 1 . 1 1 235 235 GLN N N 235 122.969 122.969 119.354 3.615 25488 574 1 1 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.182 0.199 25488 575 1 1 . 1 1 235 235 GLN H H 235 8.291 8.291 8.537 -0.246 25488 576 1 1 . 1 1 236 236 LYS N N 236 123.770 123.770 117.168 6.602 25488 577 1 1 . 1 1 236 236 LYS H H 236 8.035 8.035 8.104 -0.069 25488 578 1 1 . 1 1 237 237 LEU N N 237 116.854 116.854 116.571 0.283 25488 579 1 1 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.161 -0.202 25488 580 1 1 . 1 1 237 237 LEU H H 237 6.886 6.886 7.396 -0.510 25488 581 1 1 . 1 1 238 238 TYR N N 238 112.132 112.132 115.051 -2.919 25488 582 1 1 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.737 -0.111 25488 583 1 1 . 1 1 238 238 TYR H H 238 7.459 7.459 7.267 0.192 25488 584 1 1 . 1 1 239 239 GLY N N 239 110.898 110.898 107.492 3.406 25488 585 1 1 . 1 1 239 239 GLY H H 239 8.442 8.442 7.518 0.924 25488 586 1 1 . 1 1 240 240 LYS N N 240 114.400 114.400 120.090 -5.690 25488 587 1 1 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.284 0.520 25488 588 1 1 . 1 1 240 240 LYS H H 240 7.865 7.865 8.425 -0.560 25488 589 1 1 . 1 1 241 241 ARG N N 241 123.851 123.851 123.641 0.210 25488 590 1 1 . 1 1 241 241 ARG H H 241 7.760 7.760 8.701 -0.942 25488 591 1 1 . 1 1 242 242 SER N N 242 135.647 135.647 119.098 16.549 25488 592 1 1 . 1 1 242 242 SER H H 242 9.158 9.158 8.606 0.552 25488 593 1 2 . 1 1 3 3 GLU N N 3 121.690 121.690 120.370 1.320 25488 594 1 2 . 1 1 3 3 GLU H H 3 8.332 8.332 8.633 -0.301 25488 595 1 2 . 1 1 4 4 ALA N N 4 124.526 124.526 119.058 5.468 25488 596 1 2 . 1 1 4 4 ALA H H 4 8.111 8.111 7.713 0.398 25488 597 1 2 . 1 1 5 5 GLY N N 5 108.229 108.229 107.170 1.059 25488 598 1 2 . 1 1 5 5 GLY H H 5 8.286 8.286 7.648 0.638 25488 599 1 2 . 1 1 6 6 GLY N N 6 108.867 108.867 108.249 0.618 25488 600 1 2 . 1 1 6 6 GLY H H 6 8.239 8.239 8.414 -0.175 25488 601 1 2 . 1 1 7 7 MET N N 7 119.984 119.984 119.661 0.323 25488 602 1 2 . 1 1 7 7 MET H H 7 8.044 8.044 7.312 0.732 25488 603 1 2 . 1 1 8 8 SER N N 8 118.771 118.771 114.369 4.402 25488 604 1 2 . 1 1 8 8 SER HA H 8 4.239 4.239 4.731 -0.492 25488 605 1 2 . 1 1 8 8 SER H H 8 8.738 8.738 8.225 0.513 25488 606 1 2 . 1 1 9 9 GLU N N 9 122.551 122.551 120.542 2.009 25488 607 1 2 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.278 -0.026 25488 608 1 2 . 1 1 9 9 GLU H H 9 8.919 8.919 9.033 -0.114 25488 609 1 2 . 1 1 10 10 LEU N N 10 120.638 120.638 119.797 0.841 25488 610 1 2 . 1 1 10 10 LEU H H 10 8.017 8.017 7.681 0.336 25488 611 1 2 . 1 1 11 11 GLN N N 11 119.889 119.889 119.010 0.879 25488 612 1 2 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.987 0.147 25488 613 1 2 . 1 1 11 11 GLN H H 11 7.807 7.807 8.307 -0.500 25488 614 1 2 . 1 1 12 12 TRP N N 12 120.951 120.951 120.671 0.280 25488 615 1 2 . 1 1 12 12 TRP H H 12 8.202 8.202 8.372 -0.170 25488 616 1 2 . 1 1 13 13 GLU N N 13 121.870 121.870 118.431 3.439 25488 617 1 2 . 1 1 13 13 GLU H H 13 8.436 8.436 7.723 0.713 25488 618 1 2 . 1 1 14 14 GLN N N 14 120.646 120.646 117.863 2.783 25488 619 1 2 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.167 0.002 25488 620 1 2 . 1 1 14 14 GLN H H 14 8.159 8.159 8.461 -0.302 25488 621 1 2 . 1 1 15 15 ALA N N 15 123.216 123.216 121.534 1.682 25488 622 1 2 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.233 0.105 25488 623 1 2 . 1 1 15 15 ALA H H 15 8.355 8.355 7.309 1.046 25488 624 1 2 . 1 1 16 16 GLN N N 16 117.766 117.766 119.468 -1.702 25488 625 1 2 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.187 -0.482 25488 626 1 2 . 1 1 16 16 GLN H H 16 8.440 8.440 8.021 0.419 25488 627 1 2 . 1 1 17 17 ASP N N 17 120.090 120.090 120.830 -0.740 25488 628 1 2 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.298 0.165 25488 629 1 2 . 1 1 17 17 ASP H H 17 7.899 7.899 8.623 -0.724 25488 630 1 2 . 1 1 18 18 TYR N N 18 122.296 122.296 119.407 2.889 25488 631 1 2 . 1 1 18 18 TYR H H 18 8.264 8.264 7.190 1.074 25488 632 1 2 . 1 1 19 19 LEU N N 19 117.675 117.675 119.842 -2.167 25488 633 1 2 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.789 0.336 25488 634 1 2 . 1 1 19 19 LEU H H 19 8.687 8.687 8.218 0.469 25488 635 1 2 . 1 1 20 20 LYS N N 20 124.620 124.620 118.138 6.482 25488 636 1 2 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.091 0.052 25488 637 1 2 . 1 1 20 20 LYS H H 20 8.790 8.790 7.706 1.084 25488 638 1 2 . 1 1 21 21 ARG N N 21 117.608 117.608 117.090 0.518 25488 639 1 2 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.794 -0.097 25488 640 1 2 . 1 1 21 21 ARG H H 21 7.835 7.835 7.297 0.538 25488 641 1 2 . 1 1 22 22 PHE N N 22 112.136 112.136 115.344 -3.208 25488 642 1 2 . 1 1 22 22 PHE H H 22 8.003 8.003 6.996 1.007 25488 643 1 2 . 1 1 23 23 TYR N N 23 116.244 116.244 116.721 -0.477 25488 644 1 2 . 1 1 23 23 TYR H H 23 7.678 7.678 7.680 -0.002 25488 645 1 2 . 1 1 24 24 LEU N N 24 115.582 115.582 118.564 -2.982 25488 646 1 2 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.991 0.144 25488 647 1 2 . 1 1 24 24 LEU H H 24 7.238 7.238 8.221 -0.983 25488 648 1 2 . 1 1 25 25 TYR N N 25 119.996 119.996 119.566 0.430 25488 649 1 2 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.750 -0.345 25488 650 1 2 . 1 1 25 25 TYR H H 25 7.826 7.826 7.651 0.175 25488 651 1 2 . 1 1 26 26 ASP N N 26 129.292 129.292 125.030 4.262 25488 652 1 2 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.585 -0.124 25488 653 1 2 . 1 1 26 26 ASP H H 26 8.121 8.121 7.651 0.470 25488 654 1 2 . 1 1 28 28 GLU N N 28 122.115 122.115 120.700 1.415 25488 655 1 2 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.300 -0.019 25488 656 1 2 . 1 1 28 28 GLU H H 28 8.262 8.262 8.090 0.172 25488 657 1 2 . 1 1 29 29 THR N N 29 114.171 114.171 115.064 -0.893 25488 658 1 2 . 1 1 29 29 THR HA H 29 4.222 4.222 4.045 0.177 25488 659 1 2 . 1 1 29 29 THR H H 29 7.496 7.496 8.050 -0.554 25488 660 1 2 . 1 1 30 30 LYS N N 30 123.019 123.019 121.709 1.310 25488 661 1 2 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.301 -0.083 25488 662 1 2 . 1 1 30 30 LYS H H 30 8.154 8.154 7.426 0.728 25488 663 1 2 . 1 1 32 32 ALA N N 32 126.481 126.481 126.507 -0.026 25488 664 1 2 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.989 0.261 25488 665 1 2 . 1 1 32 32 ALA H H 32 8.424 8.424 8.656 -0.232 25488 666 1 2 . 1 1 33 33 ASN N N 33 116.834 116.834 115.573 1.261 25488 667 1 2 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.576 0.122 25488 668 1 2 . 1 1 33 33 ASN H H 33 8.312 8.312 8.267 0.045 25488 669 1 2 . 1 1 34 34 SER N N 34 116.960 116.960 116.253 0.707 25488 670 1 2 . 1 1 34 34 SER HA H 34 4.522 4.522 4.231 0.291 25488 671 1 2 . 1 1 34 34 SER H H 34 8.112 8.112 7.623 0.489 25488 672 1 2 . 1 1 35 35 LEU N N 35 125.335 125.335 123.575 1.760 25488 673 1 2 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.249 -0.698 25488 674 1 2 . 1 1 35 35 LEU H H 35 8.324 8.324 7.905 0.419 25488 675 1 2 . 1 1 36 36 GLU N N 36 119.302 119.302 120.270 -0.968 25488 676 1 2 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.932 0.011 25488 677 1 2 . 1 1 36 36 GLU H H 36 8.239 8.239 8.213 0.026 25488 678 1 2 . 1 1 37 37 ALA N N 37 120.683 120.683 120.410 0.273 25488 679 1 2 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.106 -0.059 25488 680 1 2 . 1 1 37 37 ALA H H 37 7.898 7.898 7.355 0.543 25488 681 1 2 . 1 1 38 38 LYS N N 38 119.470 119.470 120.037 -0.567 25488 682 1 2 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.102 0.231 25488 683 1 2 . 1 1 38 38 LYS H H 38 8.217 8.217 7.479 0.738 25488 684 1 2 . 1 1 39 39 LEU N N 39 122.664 122.664 118.411 4.253 25488 685 1 2 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.075 -0.161 25488 686 1 2 . 1 1 39 39 LEU H H 39 8.658 8.658 8.534 0.124 25488 687 1 2 . 1 1 40 40 LYS N N 40 118.301 118.301 117.979 0.322 25488 688 1 2 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.022 0.651 25488 689 1 2 . 1 1 40 40 LYS H H 40 8.221 8.221 8.064 0.157 25488 690 1 2 . 1 1 41 41 GLU N N 41 121.462 121.462 119.925 1.537 25488 691 1 2 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.271 -0.203 25488 692 1 2 . 1 1 41 41 GLU H H 41 7.736 7.736 7.857 -0.121 25488 693 1 2 . 1 1 42 42 MET N N 42 123.761 123.761 119.970 3.791 25488 694 1 2 . 1 1 42 42 MET HA H 42 4.046 4.046 4.250 -0.204 25488 695 1 2 . 1 1 42 42 MET H H 42 7.672 7.672 8.481 -0.809 25488 696 1 2 . 1 1 43 43 GLN N N 43 120.035 120.035 117.637 2.398 25488 697 1 2 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.145 -0.349 25488 698 1 2 . 1 1 43 43 GLN H H 43 8.904 8.904 7.871 1.033 25488 699 1 2 . 1 1 44 44 LYS N N 44 119.131 119.131 119.755 -0.624 25488 700 1 2 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.255 -0.203 25488 701 1 2 . 1 1 44 44 LYS H H 44 8.511 8.511 7.993 0.518 25488 702 1 2 . 1 1 45 45 PHE N N 45 123.544 123.544 120.397 3.147 25488 703 1 2 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.281 -0.431 25488 704 1 2 . 1 1 45 45 PHE H H 45 8.438 8.438 7.497 0.941 25488 705 1 2 . 1 1 46 46 PHE N N 46 112.789 112.789 115.121 -2.332 25488 706 1 2 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.410 0.172 25488 707 1 2 . 1 1 46 46 PHE H H 46 8.273 8.273 8.597 -0.324 25488 708 1 2 . 1 1 47 47 GLY N N 47 110.408 110.408 106.949 3.459 25488 709 1 2 . 1 1 47 47 GLY H H 47 7.922 7.922 7.655 0.267 25488 710 1 2 . 1 1 48 48 LEU N N 48 121.853 121.853 122.839 -0.986 25488 711 1 2 . 1 1 48 48 LEU H H 48 8.747 8.747 7.812 0.935 25488 712 1 2 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.418 -0.217 25488 713 1 2 . 1 1 50 50 ILE N N 50 127.000 127.000 121.072 5.928 25488 714 1 2 . 1 1 50 50 ILE H H 50 8.529 8.529 7.885 0.644 25488 715 1 2 . 1 1 51 51 THR N N 51 116.519 116.519 118.474 -1.955 25488 716 1 2 . 1 1 51 51 THR H H 51 7.980 7.980 8.605 -0.625 25488 717 1 2 . 1 1 52 52 GLY N N 52 112.725 112.725 112.932 -0.207 25488 718 1 2 . 1 1 52 52 GLY H H 52 9.483 9.483 9.465 0.018 25488 719 1 2 . 1 1 53 53 MET N N 53 116.735 116.735 120.544 -3.809 25488 720 1 2 . 1 1 53 53 MET HA H 53 4.044 4.044 4.717 -0.673 25488 721 1 2 . 1 1 53 53 MET H H 53 7.969 7.969 8.153 -0.184 25488 722 1 2 . 1 1 54 54 LEU N N 54 122.602 122.602 127.989 -5.387 25488 723 1 2 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.757 -1.051 25488 724 1 2 . 1 1 54 54 LEU H H 54 7.926 7.926 8.462 -0.536 25488 725 1 2 . 1 1 55 55 ASN N N 55 115.755 115.755 120.060 -4.305 25488 726 1 2 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.046 -0.306 25488 727 1 2 . 1 1 55 55 ASN H H 55 6.555 6.555 7.981 -1.426 25488 728 1 2 . 1 1 56 56 SER N N 56 121.450 121.450 116.936 4.514 25488 729 1 2 . 1 1 56 56 SER HA H 56 4.662 4.662 4.067 0.595 25488 730 1 2 . 1 1 56 56 SER H H 56 8.205 8.205 8.929 -0.724 25488 731 1 2 . 1 1 57 57 ARG N N 57 123.219 123.219 122.478 0.741 25488 732 1 2 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.068 0.138 25488 733 1 2 . 1 1 57 57 ARG H H 57 7.883 7.883 7.721 0.162 25488 734 1 2 . 1 1 58 58 VAL N N 58 118.843 118.843 118.384 0.459 25488 735 1 2 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.630 -0.330 25488 736 1 2 . 1 1 58 58 VAL H H 58 7.594 7.594 7.426 0.168 25488 737 1 2 . 1 1 59 59 ILE N N 59 119.212 119.212 119.112 0.100 25488 738 1 2 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.541 -0.072 25488 739 1 2 . 1 1 59 59 ILE H H 59 7.326 7.326 7.154 0.172 25488 740 1 2 . 1 1 60 60 GLU N N 60 119.544 119.544 120.366 -0.822 25488 741 1 2 . 1 1 60 60 GLU H H 60 7.880 7.880 7.388 0.492 25488 742 1 2 . 1 1 61 61 ILE N N 61 118.812 118.812 114.295 4.517 25488 743 1 2 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.719 -0.277 25488 744 1 2 . 1 1 61 61 ILE H H 61 7.217 7.217 7.948 -0.731 25488 745 1 2 . 1 1 62 62 MET N N 62 120.202 120.202 118.518 1.684 25488 746 1 2 . 1 1 62 62 MET HA H 62 3.419 3.419 4.088 -0.669 25488 747 1 2 . 1 1 62 62 MET H H 62 7.820 7.820 7.196 0.624 25488 748 1 2 . 1 1 63 63 GLN N N 63 116.274 116.274 115.776 0.498 25488 749 1 2 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.104 0.137 25488 750 1 2 . 1 1 63 63 GLN H H 63 7.442 7.442 8.241 -0.799 25488 751 1 2 . 1 1 64 64 LYS N N 64 121.450 121.450 122.562 -1.112 25488 752 1 2 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.148 0.351 25488 753 1 2 . 1 1 64 64 LYS H H 64 7.474 7.474 7.403 0.071 25488 754 1 2 . 1 1 66 66 ARG N N 66 113.173 113.173 117.701 -4.528 25488 755 1 2 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.376 0.063 25488 756 1 2 . 1 1 66 66 ARG H H 66 8.151 8.151 7.451 0.700 25488 757 1 2 . 1 1 67 67 CYS N N 67 121.794 121.794 119.254 2.540 25488 758 1 2 . 1 1 67 67 CYS HA H 67 4.420 4.420 5.152 -0.732 25488 759 1 2 . 1 1 67 67 CYS H H 67 7.709 7.709 8.489 -0.780 25488 760 1 2 . 1 1 68 68 GLY N N 68 116.255 116.255 111.859 4.396 25488 761 1 2 . 1 1 68 68 GLY H H 68 9.707 9.707 8.374 1.333 25488 762 1 2 . 1 1 69 69 VAL N N 69 126.541 126.541 114.968 11.573 25488 763 1 2 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.419 -0.612 25488 764 1 2 . 1 1 69 69 VAL H H 69 9.118 9.118 7.037 2.081 25488 765 1 2 . 1 1 71 71 ASP N N 71 119.114 119.114 123.340 -4.226 25488 766 1 2 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.475 0.008 25488 767 1 2 . 1 1 71 71 ASP H H 71 8.067 8.067 8.073 -0.006 25488 768 1 2 . 1 1 72 72 VAL N N 72 112.988 112.988 118.183 -5.195 25488 769 1 2 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.333 -0.052 25488 770 1 2 . 1 1 72 72 VAL H H 72 6.438 6.438 7.426 -0.988 25488 771 1 2 . 1 1 73 73 ALA N N 73 125.902 125.902 125.343 0.559 25488 772 1 2 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.363 -0.096 25488 773 1 2 . 1 1 73 73 ALA H H 73 8.171 8.171 8.442 -0.271 25488 774 1 2 . 1 1 74 74 GLU N N 74 120.835 120.835 124.327 -3.492 25488 775 1 2 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.404 -0.321 25488 776 1 2 . 1 1 74 74 GLU H H 74 8.385 8.385 7.770 0.615 25488 777 1 2 . 1 1 75 75 TYR N N 75 121.820 121.820 119.651 2.169 25488 778 1 2 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.249 0.145 25488 779 1 2 . 1 1 75 75 TYR H H 75 8.102 8.102 8.754 -0.652 25488 780 1 2 . 1 1 76 76 SER N N 76 117.881 117.881 116.850 1.031 25488 781 1 2 . 1 1 76 76 SER H H 76 7.718 7.718 8.699 -0.981 25488 782 1 2 . 1 1 77 77 LEU N N 77 123.835 123.835 123.398 0.437 25488 783 1 2 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.788 -0.696 25488 784 1 2 . 1 1 77 77 LEU H H 77 8.033 8.033 7.553 0.480 25488 785 1 2 . 1 1 78 78 PHE N N 78 118.893 118.893 120.419 -1.526 25488 786 1 2 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.067 -0.222 25488 787 1 2 . 1 1 78 78 PHE H H 78 7.822 7.822 8.304 -0.482 25488 788 1 2 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.419 -0.088 25488 789 1 2 . 1 1 80 80 ASN N N 80 118.184 118.184 123.038 -4.854 25488 790 1 2 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.624 0.056 25488 791 1 2 . 1 1 80 80 ASN H H 80 8.106 8.106 7.817 0.289 25488 792 1 2 . 1 1 81 81 SER HA H 81 4.636 4.636 4.366 0.270 25488 793 1 2 . 1 1 83 83 LYS N N 83 114.696 114.696 118.238 -3.542 25488 794 1 2 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.592 -0.369 25488 795 1 2 . 1 1 83 83 LYS H H 83 7.361 7.361 7.919 -0.558 25488 796 1 2 . 1 1 84 84 TRP N N 84 122.459 122.459 120.577 1.882 25488 797 1 2 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.976 -0.973 25488 798 1 2 . 1 1 84 84 TRP H H 84 8.020 8.020 8.400 -0.380 25488 799 1 2 . 1 1 85 85 THR N N 85 113.482 113.482 115.339 -1.857 25488 800 1 2 . 1 1 85 85 THR HA H 85 4.586 4.586 4.186 0.400 25488 801 1 2 . 1 1 85 85 THR H H 85 8.833 8.833 8.828 0.005 25488 802 1 2 . 1 1 86 86 SER N N 86 117.316 117.316 114.260 3.056 25488 803 1 2 . 1 1 86 86 SER HA H 86 4.665 4.665 4.536 0.129 25488 804 1 2 . 1 1 86 86 SER H H 86 7.724 7.724 7.667 0.057 25488 805 1 2 . 1 1 87 87 LYS N N 87 120.411 120.411 121.305 -0.894 25488 806 1 2 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.320 -0.181 25488 807 1 2 . 1 1 87 87 LYS H H 87 8.312 8.312 8.532 -0.220 25488 808 1 2 . 1 1 88 88 VAL N N 88 117.674 117.674 120.877 -3.203 25488 809 1 2 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.314 0.337 25488 810 1 2 . 1 1 88 88 VAL H H 88 7.425 7.425 7.200 0.225 25488 811 1 2 . 1 1 89 89 VAL N N 89 131.493 131.493 128.686 2.807 25488 812 1 2 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.392 -0.251 25488 813 1 2 . 1 1 89 89 VAL H H 89 8.574 8.574 8.839 -0.265 25488 814 1 2 . 1 1 90 90 THR N N 90 118.245 118.245 117.317 0.928 25488 815 1 2 . 1 1 90 90 THR HA H 90 5.627 5.627 5.662 -0.035 25488 816 1 2 . 1 1 90 90 THR H H 90 9.021 9.021 8.956 0.065 25488 817 1 2 . 1 1 91 91 TYR N N 91 118.267 118.267 119.403 -1.136 25488 818 1 2 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.869 -0.195 25488 819 1 2 . 1 1 91 91 TYR H H 91 8.555 8.555 8.198 0.357 25488 820 1 2 . 1 1 92 92 ARG N N 92 120.260 120.260 120.113 0.147 25488 821 1 2 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.801 -0.155 25488 822 1 2 . 1 1 92 92 ARG H H 92 8.513 8.513 8.320 0.193 25488 823 1 2 . 1 1 93 93 ILE N N 93 128.361 128.361 126.971 1.390 25488 824 1 2 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.458 0.161 25488 825 1 2 . 1 1 93 93 ILE H H 93 8.878 8.878 8.956 -0.078 25488 826 1 2 . 1 1 94 94 VAL N N 94 126.374 126.374 128.321 -1.947 25488 827 1 2 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.115 -0.115 25488 828 1 2 . 1 1 94 94 VAL H H 94 9.492 9.492 8.981 0.511 25488 829 1 2 . 1 1 95 95 SER N N 95 113.303 113.303 114.369 -1.066 25488 830 1 2 . 1 1 95 95 SER HA H 95 4.705 4.705 4.888 -0.183 25488 831 1 2 . 1 1 95 95 SER H H 95 7.431 7.431 7.751 -0.320 25488 832 1 2 . 1 1 96 96 TYR N N 96 117.054 117.054 118.623 -1.569 25488 833 1 2 . 1 1 96 96 TYR H H 96 8.255 8.255 7.944 0.311 25488 834 1 2 . 1 1 98 98 ARG N N 98 128.445 128.445 123.296 5.149 25488 835 1 2 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.054 0.284 25488 836 1 2 . 1 1 98 98 ARG H H 98 8.964 8.964 8.287 0.677 25488 837 1 2 . 1 1 99 99 ASP N N 99 120.412 120.412 118.769 1.643 25488 838 1 2 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.606 -0.271 25488 839 1 2 . 1 1 99 99 ASP H H 99 8.695 8.695 8.552 0.143 25488 840 1 2 . 1 1 100 100 LEU N N 100 116.851 116.851 119.547 -2.696 25488 841 1 2 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.786 0.147 25488 842 1 2 . 1 1 100 100 LEU H H 100 6.902 6.902 7.314 -0.411 25488 843 1 2 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.608 0.559 25488 844 1 2 . 1 1 103 103 ILE N N 103 115.469 115.469 114.839 0.630 25488 845 1 2 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.540 0.633 25488 846 1 2 . 1 1 103 103 ILE H H 103 8.296 8.296 8.098 0.198 25488 847 1 2 . 1 1 104 104 THR N N 104 119.413 119.413 111.292 8.121 25488 848 1 2 . 1 1 104 104 THR HA H 104 4.019 4.019 4.031 -0.012 25488 849 1 2 . 1 1 104 104 THR H H 104 6.915 6.915 7.751 -0.836 25488 850 1 2 . 1 1 105 105 VAL N N 105 123.232 123.232 119.772 3.460 25488 851 1 2 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.633 -0.219 25488 852 1 2 . 1 1 105 105 VAL H H 105 7.379 7.379 7.294 0.085 25488 853 1 2 . 1 1 106 106 ASP N N 106 120.160 120.160 120.000 0.160 25488 854 1 2 . 1 1 106 106 ASP H H 106 8.615 8.615 8.030 0.585 25488 855 1 2 . 1 1 107 107 ARG N N 107 121.041 121.041 117.423 3.618 25488 856 1 2 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.102 -0.012 25488 857 1 2 . 1 1 107 107 ARG H H 107 8.372 8.372 8.010 0.362 25488 858 1 2 . 1 1 108 108 LEU N N 108 121.644 121.644 119.231 2.413 25488 859 1 2 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.186 0.067 25488 860 1 2 . 1 1 108 108 LEU H H 108 8.768 8.768 7.651 1.117 25488 861 1 2 . 1 1 109 109 VAL N N 109 120.347 120.347 116.128 4.219 25488 862 1 2 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.514 -0.143 25488 863 1 2 . 1 1 109 109 VAL H H 109 8.762 8.762 8.078 0.684 25488 864 1 2 . 1 1 110 110 SER N N 110 112.949 112.949 118.320 -5.371 25488 865 1 2 . 1 1 110 110 SER HA H 110 4.270 4.270 3.988 0.282 25488 866 1 2 . 1 1 110 110 SER H H 110 7.605 7.605 7.746 -0.141 25488 867 1 2 . 1 1 111 111 LYS N N 111 122.434 122.434 121.253 1.181 25488 868 1 2 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.982 0.060 25488 869 1 2 . 1 1 111 111 LYS H H 111 8.146 8.146 7.910 0.236 25488 870 1 2 . 1 1 112 112 ALA N N 112 124.099 124.099 122.208 1.891 25488 871 1 2 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.935 0.142 25488 872 1 2 . 1 1 112 112 ALA H H 112 8.270 8.270 7.233 1.037 25488 873 1 2 . 1 1 113 113 LEU N N 113 116.251 116.251 118.269 -2.018 25488 874 1 2 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.643 0.079 25488 875 1 2 . 1 1 113 113 LEU H H 113 8.019 8.019 7.721 0.298 25488 876 1 2 . 1 1 114 114 ASN N N 114 116.659 116.659 117.450 -0.791 25488 877 1 2 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.193 0.336 25488 878 1 2 . 1 1 114 114 ASN H H 114 8.197 8.197 8.483 -0.286 25488 879 1 2 . 1 1 115 115 MET N N 115 122.118 122.118 118.549 3.569 25488 880 1 2 . 1 1 115 115 MET HA H 115 4.013 4.013 3.965 0.048 25488 881 1 2 . 1 1 115 115 MET H H 115 7.918 7.918 7.308 0.610 25488 882 1 2 . 1 1 116 116 TRP N N 116 117.117 117.117 116.948 0.169 25488 883 1 2 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.633 -0.123 25488 884 1 2 . 1 1 116 116 TRP H H 116 6.773 6.773 7.420 -0.647 25488 885 1 2 . 1 1 117 117 GLY N N 117 104.656 104.656 107.337 -2.681 25488 886 1 2 . 1 1 117 117 GLY H H 117 9.305 9.305 8.396 0.909 25488 887 1 2 . 1 1 118 118 LYS N N 118 118.567 118.567 118.506 0.061 25488 888 1 2 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.418 -0.241 25488 889 1 2 . 1 1 118 118 LYS H H 118 7.947 7.947 7.907 0.040 25488 890 1 2 . 1 1 119 119 GLU N N 119 113.899 113.899 118.271 -4.372 25488 891 1 2 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.481 0.327 25488 892 1 2 . 1 1 119 119 GLU H H 119 7.773 7.773 8.190 -0.417 25488 893 1 2 . 1 1 120 120 ILE N N 120 111.215 111.215 120.369 -9.154 25488 894 1 2 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.891 0.430 25488 895 1 2 . 1 1 120 120 ILE H H 120 7.528 7.528 8.130 -0.602 25488 896 1 2 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.513 0.108 25488 897 1 2 . 1 1 122 122 LEU N N 122 121.481 121.481 121.997 -0.516 25488 898 1 2 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.129 0.163 25488 899 1 2 . 1 1 122 122 LEU H H 122 6.815 6.815 8.195 -1.380 25488 900 1 2 . 1 1 123 123 HIS N N 123 120.769 120.769 123.612 -2.843 25488 901 1 2 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.696 -0.104 25488 902 1 2 . 1 1 123 123 HIS H H 123 7.709 7.709 8.834 -1.125 25488 903 1 2 . 1 1 124 124 PHE N N 124 120.530 120.530 124.948 -4.418 25488 904 1 2 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.373 0.439 25488 905 1 2 . 1 1 124 124 PHE H H 124 8.306 8.306 8.727 -0.421 25488 906 1 2 . 1 1 125 125 ARG N N 125 123.891 123.891 126.877 -2.986 25488 907 1 2 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.803 -0.150 25488 908 1 2 . 1 1 125 125 ARG H H 125 8.408 8.408 8.710 -0.302 25488 909 1 2 . 1 1 126 126 LYS N N 126 130.178 130.178 127.244 2.934 25488 910 1 2 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.549 -0.188 25488 911 1 2 . 1 1 126 126 LYS H H 126 8.468 8.468 8.571 -0.103 25488 912 1 2 . 1 1 127 127 VAL N N 127 125.180 125.180 126.077 -0.897 25488 913 1 2 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.182 0.326 25488 914 1 2 . 1 1 127 127 VAL H H 127 8.679 8.679 8.591 0.088 25488 915 1 2 . 1 1 128 128 VAL N N 128 117.584 117.584 118.565 -0.981 25488 916 1 2 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.246 0.040 25488 917 1 2 . 1 1 128 128 VAL H H 128 8.469 8.469 8.330 0.139 25488 918 1 2 . 1 1 129 129 TRP N N 129 119.805 119.805 118.551 1.254 25488 919 1 2 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.712 -0.026 25488 920 1 2 . 1 1 129 129 TRP H H 129 7.447 7.447 7.602 -0.155 25488 921 1 2 . 1 1 130 130 GLY N N 130 109.844 109.844 111.535 -1.691 25488 922 1 2 . 1 1 130 130 GLY H H 130 8.072 8.072 8.234 -0.162 25488 923 1 2 . 1 1 131 131 THR N N 131 116.125 116.125 110.406 5.719 25488 924 1 2 . 1 1 131 131 THR HA H 131 4.123 4.123 4.323 -0.200 25488 925 1 2 . 1 1 131 131 THR H H 131 8.196 8.196 8.304 -0.108 25488 926 1 2 . 1 1 132 132 ALA N N 132 129.613 129.613 125.133 4.480 25488 927 1 2 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.495 0.016 25488 928 1 2 . 1 1 132 132 ALA H H 132 7.919 7.919 8.263 -0.344 25488 929 1 2 . 1 1 133 133 ASP N N 133 123.004 123.004 120.626 2.378 25488 930 1 2 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.634 -0.192 25488 931 1 2 . 1 1 133 133 ASP H H 133 8.248 8.248 8.503 -0.255 25488 932 1 2 . 1 1 134 134 ILE N N 134 125.478 125.478 120.998 4.480 25488 933 1 2 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.572 -0.479 25488 934 1 2 . 1 1 134 134 ILE H H 134 8.804 8.804 7.652 1.152 25488 935 1 2 . 1 1 135 135 MET N N 135 127.471 127.471 126.851 0.620 25488 936 1 2 . 1 1 135 135 MET HA H 135 5.194 5.194 5.137 0.057 25488 937 1 2 . 1 1 135 135 MET H H 135 7.437 7.437 8.936 -1.499 25488 938 1 2 . 1 1 136 136 ILE N N 136 125.040 125.040 124.167 0.873 25488 939 1 2 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.111 0.466 25488 940 1 2 . 1 1 136 136 ILE H H 136 9.085 9.085 8.910 0.175 25488 941 1 2 . 1 1 137 137 GLY N N 137 112.059 112.059 113.670 -1.611 25488 942 1 2 . 1 1 137 137 GLY H H 137 8.568 8.568 8.448 0.120 25488 943 1 2 . 1 1 138 138 PHE N N 138 119.447 119.447 121.788 -2.341 25488 944 1 2 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.396 0.058 25488 945 1 2 . 1 1 138 138 PHE H H 138 7.861 7.861 8.837 -0.976 25488 946 1 2 . 1 1 139 139 ALA N N 139 123.657 123.657 127.136 -3.479 25488 947 1 2 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.784 -0.049 25488 948 1 2 . 1 1 139 139 ALA H H 139 8.939 8.939 8.884 0.055 25488 949 1 2 . 1 1 140 140 ARG N N 140 118.688 118.688 118.586 0.102 25488 950 1 2 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.753 0.321 25488 951 1 2 . 1 1 140 140 ARG H H 140 8.563 8.563 8.537 0.026 25488 952 1 2 . 1 1 141 141 GLY N N 141 108.964 108.964 107.418 1.546 25488 953 1 2 . 1 1 141 141 GLY H H 141 9.018 9.018 9.166 -0.148 25488 954 1 2 . 1 1 143 143 HIS N N 143 120.218 120.218 117.609 2.609 25488 955 1 2 . 1 1 143 143 HIS H H 143 8.998 8.998 7.857 1.141 25488 956 1 2 . 1 1 145 145 ASP N N 145 117.684 117.684 121.958 -4.274 25488 957 1 2 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.824 -0.124 25488 958 1 2 . 1 1 145 145 ASP H H 145 7.088 7.088 7.967 -0.879 25488 959 1 2 . 1 1 146 146 SER HA H 146 4.140 4.140 4.314 -0.174 25488 960 1 2 . 1 1 146 146 SER H H 146 8.220 8.220 8.427 -0.207 25488 961 1 2 . 1 1 147 147 TYR N N 147 120.867 120.867 117.433 3.434 25488 962 1 2 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.269 0.519 25488 963 1 2 . 1 1 147 147 TYR H H 147 7.459 7.459 8.091 -0.632 25488 964 1 2 . 1 1 149 149 PHE N N 149 120.630 120.630 119.303 1.327 25488 965 1 2 . 1 1 149 149 PHE H H 149 8.018 8.018 8.465 -0.447 25488 966 1 2 . 1 1 150 150 ASP N N 150 115.626 115.626 117.476 -1.850 25488 967 1 2 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.016 0.827 25488 968 1 2 . 1 1 150 150 ASP H H 150 7.543 7.543 7.644 -0.101 25488 969 1 2 . 1 1 151 151 GLY N N 151 110.700 110.700 110.081 0.619 25488 970 1 2 . 1 1 151 151 GLY H H 151 9.074 9.074 8.386 0.688 25488 971 1 2 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.363 -0.337 25488 972 1 2 . 1 1 153 153 GLY N N 153 118.786 118.786 113.756 5.030 25488 973 1 2 . 1 1 153 153 GLY H H 153 11.385 11.385 8.933 2.452 25488 974 1 2 . 1 1 154 154 ASN N N 154 120.613 120.613 119.448 1.165 25488 975 1 2 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.261 -0.063 25488 976 1 2 . 1 1 154 154 ASN H H 154 9.225 9.225 8.357 0.868 25488 977 1 2 . 1 1 155 155 THR N N 155 118.700 118.700 114.520 4.180 25488 978 1 2 . 1 1 155 155 THR HA H 155 5.542 5.542 4.308 1.234 25488 979 1 2 . 1 1 155 155 THR H H 155 9.519 9.519 8.117 1.402 25488 980 1 2 . 1 1 156 156 LEU N N 156 122.765 122.765 119.491 3.274 25488 981 1 2 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.064 -0.122 25488 982 1 2 . 1 1 156 156 LEU H H 156 8.500 8.500 8.194 0.306 25488 983 1 2 . 1 1 157 157 ALA N N 157 115.545 115.545 119.119 -3.574 25488 984 1 2 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.812 0.195 25488 985 1 2 . 1 1 157 157 ALA H H 157 7.545 7.545 7.459 0.086 25488 986 1 2 . 1 1 158 158 HIS N N 158 111.868 111.868 116.322 -4.454 25488 987 1 2 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.802 -0.185 25488 988 1 2 . 1 1 158 158 HIS H H 158 8.774 8.774 8.863 -0.089 25488 989 1 2 . 1 1 159 159 ALA N N 159 118.565 118.565 124.383 -5.818 25488 990 1 2 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.946 -0.289 25488 991 1 2 . 1 1 159 159 ALA H H 159 6.114 6.114 8.143 -2.029 25488 992 1 2 . 1 1 160 160 PHE N N 160 118.042 118.042 122.962 -4.920 25488 993 1 2 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.809 -0.328 25488 994 1 2 . 1 1 160 160 PHE H H 160 7.897 7.897 9.030 -1.133 25488 995 1 2 . 1 1 161 161 ALA N N 161 123.548 123.548 126.075 -2.527 25488 996 1 2 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.702 -0.219 25488 997 1 2 . 1 1 161 161 ALA H H 161 8.089 8.089 8.506 -0.417 25488 998 1 2 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.397 -0.526 25488 999 1 2 . 1 1 163 163 GLY N N 163 107.255 107.255 109.369 -2.114 25488 1000 1 2 . 1 1 163 163 GLY H H 163 5.992 5.992 7.470 -1.478 25488 1001 1 2 . 1 1 165 165 GLY H H 165 9.149 9.149 8.071 1.078 25488 1002 1 2 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.125 0.028 25488 1003 1 2 . 1 1 167 167 GLY N N 167 103.338 103.338 102.754 0.584 25488 1004 1 2 . 1 1 167 167 GLY H H 167 7.774 7.774 7.521 0.253 25488 1005 1 2 . 1 1 168 168 GLY N N 168 121.031 121.031 106.695 14.336 25488 1006 1 2 . 1 1 168 168 GLY H H 168 7.685 7.685 8.062 -0.377 25488 1007 1 2 . 1 1 169 169 ASP N N 169 123.703 123.703 122.425 1.278 25488 1008 1 2 . 1 1 169 169 ASP H H 169 8.578 8.578 7.761 0.817 25488 1009 1 2 . 1 1 170 170 ALA N N 170 119.569 119.569 121.180 -1.611 25488 1010 1 2 . 1 1 170 170 ALA HA H 170 4.704 4.704 5.335 -0.631 25488 1011 1 2 . 1 1 170 170 ALA H H 170 8.371 8.371 8.787 -0.416 25488 1012 1 2 . 1 1 171 171 HIS N N 171 120.286 120.286 119.871 0.415 25488 1013 1 2 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.161 0.569 25488 1014 1 2 . 1 1 171 171 HIS H H 171 8.513 8.513 8.517 -0.004 25488 1015 1 2 . 1 1 172 172 PHE N N 172 120.919 120.919 122.586 -1.667 25488 1016 1 2 . 1 1 172 172 PHE H H 172 8.457 8.457 8.869 -0.412 25488 1017 1 2 . 1 1 173 173 ASP N N 173 123.993 123.993 121.984 2.009 25488 1018 1 2 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.096 -1.200 25488 1019 1 2 . 1 1 173 173 ASP H H 173 7.915 7.915 8.919 -1.004 25488 1020 1 2 . 1 1 174 174 GLU N N 174 132.684 132.684 127.154 5.530 25488 1021 1 2 . 1 1 174 174 GLU H H 174 9.461 9.461 8.637 0.824 25488 1022 1 2 . 1 1 175 175 ASP N N 175 117.313 117.313 119.431 -2.118 25488 1023 1 2 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.698 0.099 25488 1024 1 2 . 1 1 175 175 ASP H H 175 8.756 8.756 8.176 0.580 25488 1025 1 2 . 1 1 176 176 GLU N N 176 116.511 116.511 118.593 -2.082 25488 1026 1 2 . 1 1 176 176 GLU H H 176 7.154 7.154 7.743 -0.589 25488 1027 1 2 . 1 1 177 177 ARG N N 177 121.920 121.920 125.059 -3.139 25488 1028 1 2 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.485 0.140 25488 1029 1 2 . 1 1 177 177 ARG H H 177 7.555 7.555 8.244 -0.689 25488 1030 1 2 . 1 1 178 178 TRP N N 178 129.182 129.182 125.115 4.067 25488 1031 1 2 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.488 -0.375 25488 1032 1 2 . 1 1 178 178 TRP H H 178 8.788 8.788 8.675 0.113 25488 1033 1 2 . 1 1 179 179 THR N N 179 112.874 112.874 113.781 -0.907 25488 1034 1 2 . 1 1 179 179 THR HA H 179 5.015 5.015 4.773 0.242 25488 1035 1 2 . 1 1 179 179 THR H H 179 8.946 8.946 8.568 0.378 25488 1036 1 2 . 1 1 180 180 ASP N N 180 121.969 121.969 122.354 -0.385 25488 1037 1 2 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.793 -0.371 25488 1038 1 2 . 1 1 180 180 ASP H H 180 8.478 8.478 8.489 -0.011 25488 1039 1 2 . 1 1 181 181 GLY N N 181 110.059 110.059 107.161 2.898 25488 1040 1 2 . 1 1 181 181 GLY H H 181 8.572 8.572 8.114 0.458 25488 1041 1 2 . 1 1 182 182 SER N N 182 115.564 115.564 116.339 -0.775 25488 1042 1 2 . 1 1 182 182 SER HA H 182 4.599 4.599 4.528 0.071 25488 1043 1 2 . 1 1 182 182 SER H H 182 8.173 8.173 8.129 0.044 25488 1044 1 2 . 1 1 183 183 SER N N 183 117.066 117.066 113.566 3.500 25488 1045 1 2 . 1 1 183 183 SER H H 183 7.819 7.819 8.267 -0.448 25488 1046 1 2 . 1 1 184 184 LEU N N 184 121.954 121.954 121.338 0.616 25488 1047 1 2 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.445 -0.083 25488 1048 1 2 . 1 1 184 184 LEU H H 184 8.104 8.104 7.933 0.171 25488 1049 1 2 . 1 1 185 185 GLY N N 185 108.989 108.989 105.161 3.828 25488 1050 1 2 . 1 1 185 185 GLY H H 185 7.954 7.954 7.419 0.535 25488 1051 1 2 . 1 1 186 186 ILE N N 186 123.084 123.084 120.825 2.259 25488 1052 1 2 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.092 -0.313 25488 1053 1 2 . 1 1 186 186 ILE H H 186 8.878 8.878 8.277 0.601 25488 1054 1 2 . 1 1 187 187 ASN N N 187 126.999 126.999 124.989 2.010 25488 1055 1 2 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.715 -0.319 25488 1056 1 2 . 1 1 187 187 ASN H H 187 8.575 8.575 8.728 -0.153 25488 1057 1 2 . 1 1 188 188 PHE N N 188 129.819 129.819 128.967 0.852 25488 1058 1 2 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.603 -0.012 25488 1059 1 2 . 1 1 188 188 PHE H H 188 9.365 9.365 8.259 1.106 25488 1060 1 2 . 1 1 189 189 LEU N N 189 119.292 119.292 121.906 -2.614 25488 1061 1 2 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.874 -0.041 25488 1062 1 2 . 1 1 189 189 LEU H H 189 8.551 8.551 8.030 0.521 25488 1063 1 2 . 1 1 191 191 ALA N N 191 120.347 120.347 122.634 -2.287 25488 1064 1 2 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.230 0.067 25488 1065 1 2 . 1 1 191 191 ALA H H 191 7.973 7.973 7.836 0.137 25488 1066 1 2 . 1 1 192 192 ALA N N 192 121.365 121.365 120.698 0.667 25488 1067 1 2 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.051 -0.034 25488 1068 1 2 . 1 1 192 192 ALA H H 192 9.258 9.258 8.459 0.799 25488 1069 1 2 . 1 1 193 193 THR N N 193 117.027 117.027 114.824 2.203 25488 1070 1 2 . 1 1 193 193 THR HA H 193 3.825 3.825 3.899 -0.074 25488 1071 1 2 . 1 1 193 193 THR H H 193 8.209 8.209 7.620 0.589 25488 1072 1 2 . 1 1 194 194 HIS N N 194 120.231 120.231 119.592 0.639 25488 1073 1 2 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.556 -0.323 25488 1074 1 2 . 1 1 194 194 HIS H H 194 7.805 7.805 8.425 -0.620 25488 1075 1 2 . 1 1 195 195 ALA N N 195 121.346 121.346 122.221 -0.875 25488 1076 1 2 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.138 0.042 25488 1077 1 2 . 1 1 195 195 ALA H H 195 8.693 8.693 7.837 0.856 25488 1078 1 2 . 1 1 196 196 LEU N N 196 114.951 114.951 115.006 -0.055 25488 1079 1 2 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.463 -0.305 25488 1080 1 2 . 1 1 196 196 LEU H H 196 8.714 8.714 8.088 0.626 25488 1081 1 2 . 1 1 197 197 GLY N N 197 107.954 107.954 106.405 1.549 25488 1082 1 2 . 1 1 197 197 GLY H H 197 7.540 7.540 7.934 -0.394 25488 1083 1 2 . 1 1 198 198 HIS N N 198 121.996 121.996 121.344 0.652 25488 1084 1 2 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.698 0.111 25488 1085 1 2 . 1 1 198 198 HIS H H 198 7.205 7.205 7.813 -0.608 25488 1086 1 2 . 1 1 199 199 SER N N 199 118.570 118.570 116.459 2.111 25488 1087 1 2 . 1 1 199 199 SER HA H 199 4.448 4.448 4.503 -0.055 25488 1088 1 2 . 1 1 199 199 SER H H 199 7.886 7.886 7.870 0.016 25488 1089 1 2 . 1 1 200 200 LEU N N 200 114.779 114.779 117.103 -2.324 25488 1090 1 2 . 1 1 200 200 LEU H H 200 7.106 7.106 7.328 -0.222 25488 1091 1 2 . 1 1 201 201 GLY N N 201 108.350 108.350 105.737 2.613 25488 1092 1 2 . 1 1 201 201 GLY H H 201 8.213 8.213 7.806 0.407 25488 1093 1 2 . 1 1 202 202 MET N N 202 119.623 119.623 120.236 -0.613 25488 1094 1 2 . 1 1 202 202 MET HA H 202 4.484 4.484 4.543 -0.059 25488 1095 1 2 . 1 1 202 202 MET H H 202 8.189 8.189 7.892 0.297 25488 1096 1 2 . 1 1 203 203 GLY N N 203 109.770 109.770 108.009 1.761 25488 1097 1 2 . 1 1 203 203 GLY H H 203 8.413 8.413 8.295 0.118 25488 1098 1 2 . 1 1 204 204 HIS N N 204 115.793 115.793 117.525 -1.732 25488 1099 1 2 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.835 0.539 25488 1100 1 2 . 1 1 204 204 HIS H H 204 8.383 8.383 8.468 -0.085 25488 1101 1 2 . 1 1 205 205 SER N N 205 115.497 115.497 114.170 1.327 25488 1102 1 2 . 1 1 205 205 SER HA H 205 4.721 4.721 4.758 -0.037 25488 1103 1 2 . 1 1 205 205 SER H H 205 7.223 7.223 8.627 -1.404 25488 1104 1 2 . 1 1 206 206 SER N N 206 119.268 119.268 116.831 2.437 25488 1105 1 2 . 1 1 206 206 SER HA H 206 3.721 3.721 4.740 -1.019 25488 1106 1 2 . 1 1 206 206 SER H H 206 8.290 8.290 8.644 -0.354 25488 1107 1 2 . 1 1 207 207 ASP N N 207 126.656 126.656 122.750 3.906 25488 1108 1 2 . 1 1 207 207 ASP H H 207 8.541 8.541 7.641 0.900 25488 1109 1 2 . 1 1 209 209 ASN N N 209 115.911 115.911 115.808 0.103 25488 1110 1 2 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.495 0.121 25488 1111 1 2 . 1 1 209 209 ASN H H 209 8.374 8.374 7.644 0.730 25488 1112 1 2 . 1 1 210 210 ALA N N 210 124.929 124.929 122.836 2.093 25488 1113 1 2 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.344 -0.190 25488 1114 1 2 . 1 1 210 210 ALA H H 210 8.182 8.182 7.106 1.076 25488 1115 1 2 . 1 1 211 211 VAL N N 211 130.383 130.383 122.927 7.456 25488 1116 1 2 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.741 0.509 25488 1117 1 2 . 1 1 211 211 VAL H H 211 11.554 11.554 8.829 2.725 25488 1118 1 2 . 1 1 212 212 MET N N 212 113.319 113.319 115.190 -1.871 25488 1119 1 2 . 1 1 212 212 MET H H 212 7.741 7.741 7.742 -0.001 25488 1120 1 2 . 1 1 213 213 TYR N N 213 130.006 130.006 121.985 8.021 25488 1121 1 2 . 1 1 213 213 TYR H H 213 7.899 7.899 7.309 0.590 25488 1122 1 2 . 1 1 215 215 THR N N 215 104.747 104.747 111.181 -6.434 25488 1123 1 2 . 1 1 215 215 THR HA H 215 4.404 4.404 4.282 0.122 25488 1124 1 2 . 1 1 215 215 THR H H 215 6.402 6.402 7.941 -1.539 25488 1125 1 2 . 1 1 216 216 TYR N N 216 124.699 124.699 121.915 2.784 25488 1126 1 2 . 1 1 216 216 TYR H H 216 8.341 8.341 7.832 0.509 25488 1127 1 2 . 1 1 217 217 GLY N N 217 116.288 116.288 110.935 5.353 25488 1128 1 2 . 1 1 217 217 GLY H H 217 7.685 7.685 7.750 -0.065 25488 1129 1 2 . 1 1 218 218 ASN N N 218 119.920 119.920 117.854 2.066 25488 1130 1 2 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.710 -0.090 25488 1131 1 2 . 1 1 218 218 ASN H H 218 8.221 8.221 8.655 -0.434 25488 1132 1 2 . 1 1 219 219 GLY N N 219 109.601 109.601 107.041 2.560 25488 1133 1 2 . 1 1 219 219 GLY H H 219 8.072 8.072 8.026 0.046 25488 1134 1 2 . 1 1 220 220 ASP N N 220 123.006 123.006 120.752 2.254 25488 1135 1 2 . 1 1 220 220 ASP H H 220 8.280 8.280 8.287 -0.007 25488 1136 1 2 . 1 1 222 222 GLN N N 222 116.642 116.642 120.841 -4.199 25488 1137 1 2 . 1 1 222 222 GLN H H 222 8.215 8.215 8.624 -0.409 25488 1138 1 2 . 1 1 223 223 ASN N N 223 118.361 118.361 117.464 0.897 25488 1139 1 2 . 1 1 223 223 ASN H H 223 7.970 7.970 8.284 -0.314 25488 1140 1 2 . 1 1 225 225 LYS N N 225 122.215 122.215 126.107 -3.892 25488 1141 1 2 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.788 -0.372 25488 1142 1 2 . 1 1 225 225 LYS H H 225 7.656 7.656 8.024 -0.368 25488 1143 1 2 . 1 1 226 226 LEU N N 226 119.165 119.165 118.913 0.252 25488 1144 1 2 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.743 -0.655 25488 1145 1 2 . 1 1 226 226 LEU H H 226 7.984 7.984 8.216 -0.232 25488 1146 1 2 . 1 1 227 227 SER N N 227 120.520 120.520 114.833 5.687 25488 1147 1 2 . 1 1 227 227 SER HA H 227 4.676 4.676 4.510 0.166 25488 1148 1 2 . 1 1 227 227 SER H H 227 9.646 9.646 8.524 1.122 25488 1149 1 2 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.321 0.353 25488 1150 1 2 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.484 -0.110 25488 1151 1 2 . 1 1 229 229 ASP H H 229 8.113 8.113 8.267 -0.154 25488 1152 1 2 . 1 1 230 230 ASP N N 230 119.878 119.878 120.735 -0.857 25488 1153 1 2 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.487 -0.149 25488 1154 1 2 . 1 1 230 230 ASP H H 230 7.397 7.397 7.867 -0.470 25488 1155 1 2 . 1 1 231 231 ILE N N 231 120.389 120.389 118.520 1.869 25488 1156 1 2 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.813 -0.158 25488 1157 1 2 . 1 1 231 231 ILE H H 231 8.100 8.100 7.628 0.472 25488 1158 1 2 . 1 1 232 232 LYS N N 232 119.084 119.084 121.196 -2.112 25488 1159 1 2 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.084 0.011 25488 1160 1 2 . 1 1 232 232 LYS H H 232 8.581 8.581 7.645 0.936 25488 1161 1 2 . 1 1 233 233 GLY N N 233 106.424 106.424 106.500 -0.076 25488 1162 1 2 . 1 1 233 233 GLY H H 233 8.061 8.061 7.610 0.451 25488 1163 1 2 . 1 1 234 234 ILE N N 234 125.166 125.166 120.813 4.353 25488 1164 1 2 . 1 1 234 234 ILE H H 234 8.517 8.517 7.452 1.065 25488 1165 1 2 . 1 1 235 235 GLN N N 235 122.969 122.969 119.984 2.985 25488 1166 1 2 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.144 0.237 25488 1167 1 2 . 1 1 235 235 GLN H H 235 8.291 8.291 8.301 -0.010 25488 1168 1 2 . 1 1 236 236 LYS N N 236 123.770 123.770 117.371 6.399 25488 1169 1 2 . 1 1 236 236 LYS H H 236 8.035 8.035 7.768 0.267 25488 1170 1 2 . 1 1 237 237 LEU N N 237 116.854 116.854 118.964 -2.110 25488 1171 1 2 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.979 -0.020 25488 1172 1 2 . 1 1 237 237 LEU H H 237 6.886 6.886 7.483 -0.597 25488 1173 1 2 . 1 1 238 238 TYR N N 238 112.132 112.132 115.217 -3.085 25488 1174 1 2 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.613 0.013 25488 1175 1 2 . 1 1 238 238 TYR H H 238 7.459 7.459 7.271 0.188 25488 1176 1 2 . 1 1 239 239 GLY N N 239 110.898 110.898 106.808 4.090 25488 1177 1 2 . 1 1 239 239 GLY H H 239 8.442 8.442 7.621 0.821 25488 1178 1 2 . 1 1 240 240 LYS N N 240 114.400 114.400 120.118 -5.718 25488 1179 1 2 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.516 0.288 25488 1180 1 2 . 1 1 240 240 LYS H H 240 7.865 7.865 8.384 -0.519 25488 1181 1 2 . 1 1 241 241 ARG N N 241 123.851 123.851 123.270 0.581 25488 1182 1 2 . 1 1 241 241 ARG H H 241 7.760 7.760 8.560 -0.800 25488 1183 1 2 . 1 1 242 242 SER N N 242 135.647 135.647 113.872 21.775 25488 1184 1 2 . 1 1 242 242 SER H H 242 9.158 9.158 8.442 0.716 25488 1185 1 3 . 1 1 3 3 GLU N N 3 121.690 121.690 123.547 -1.857 25488 1186 1 3 . 1 1 3 3 GLU H H 3 8.332 8.332 8.933 -0.601 25488 1187 1 3 . 1 1 4 4 ALA N N 4 124.526 124.526 120.276 4.250 25488 1188 1 3 . 1 1 4 4 ALA H H 4 8.111 8.111 8.375 -0.264 25488 1189 1 3 . 1 1 5 5 GLY N N 5 108.229 108.229 106.455 1.774 25488 1190 1 3 . 1 1 5 5 GLY H H 5 8.286 8.286 7.654 0.632 25488 1191 1 3 . 1 1 6 6 GLY N N 6 108.867 108.867 108.109 0.758 25488 1192 1 3 . 1 1 6 6 GLY H H 6 8.239 8.239 7.980 0.259 25488 1193 1 3 . 1 1 7 7 MET N N 7 119.984 119.984 120.897 -0.913 25488 1194 1 3 . 1 1 7 7 MET H H 7 8.044 8.044 7.516 0.528 25488 1195 1 3 . 1 1 8 8 SER N N 8 118.771 118.771 115.782 2.989 25488 1196 1 3 . 1 1 8 8 SER HA H 8 4.239 4.239 4.619 -0.380 25488 1197 1 3 . 1 1 8 8 SER H H 8 8.738 8.738 8.256 0.482 25488 1198 1 3 . 1 1 9 9 GLU N N 9 122.551 122.551 123.631 -1.080 25488 1199 1 3 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.169 0.083 25488 1200 1 3 . 1 1 9 9 GLU H H 9 8.919 8.919 9.086 -0.167 25488 1201 1 3 . 1 1 10 10 LEU N N 10 120.638 120.638 119.702 0.936 25488 1202 1 3 . 1 1 10 10 LEU H H 10 8.017 8.017 7.753 0.264 25488 1203 1 3 . 1 1 11 11 GLN N N 11 119.889 119.889 119.131 0.758 25488 1204 1 3 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.930 0.204 25488 1205 1 3 . 1 1 11 11 GLN H H 11 7.807 7.807 8.595 -0.788 25488 1206 1 3 . 1 1 12 12 TRP N N 12 120.951 120.951 123.336 -2.385 25488 1207 1 3 . 1 1 12 12 TRP H H 12 8.202 8.202 8.288 -0.086 25488 1208 1 3 . 1 1 13 13 GLU N N 13 121.870 121.870 118.554 3.316 25488 1209 1 3 . 1 1 13 13 GLU H H 13 8.436 8.436 8.009 0.427 25488 1210 1 3 . 1 1 14 14 GLN N N 14 120.646 120.646 117.779 2.867 25488 1211 1 3 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.126 0.043 25488 1212 1 3 . 1 1 14 14 GLN H H 14 8.159 8.159 7.742 0.417 25488 1213 1 3 . 1 1 15 15 ALA N N 15 123.216 123.216 122.524 0.692 25488 1214 1 3 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.029 0.309 25488 1215 1 3 . 1 1 15 15 ALA H H 15 8.355 8.355 8.308 0.047 25488 1216 1 3 . 1 1 16 16 GLN N N 16 117.766 117.766 117.377 0.389 25488 1217 1 3 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.918 -0.213 25488 1218 1 3 . 1 1 16 16 GLN H H 16 8.440 8.440 7.756 0.684 25488 1219 1 3 . 1 1 17 17 ASP N N 17 120.090 120.090 119.969 0.121 25488 1220 1 3 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.351 0.112 25488 1221 1 3 . 1 1 17 17 ASP H H 17 7.899 7.899 7.892 0.007 25488 1222 1 3 . 1 1 18 18 TYR N N 18 122.296 122.296 119.244 3.052 25488 1223 1 3 . 1 1 18 18 TYR H H 18 8.264 8.264 7.450 0.814 25488 1224 1 3 . 1 1 19 19 LEU N N 19 117.675 117.675 115.506 2.169 25488 1225 1 3 . 1 1 19 19 LEU HA H 19 4.125 4.125 2.362 1.763 25488 1226 1 3 . 1 1 19 19 LEU H H 19 8.687 8.687 7.174 1.513 25488 1227 1 3 . 1 1 20 20 LYS N N 20 124.620 124.620 117.160 7.460 25488 1228 1 3 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.994 0.149 25488 1229 1 3 . 1 1 20 20 LYS H H 20 8.790 8.790 7.366 1.424 25488 1230 1 3 . 1 1 21 21 ARG N N 21 117.608 117.608 118.415 -0.807 25488 1231 1 3 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.192 -0.495 25488 1232 1 3 . 1 1 21 21 ARG H H 21 7.835 7.835 7.359 0.476 25488 1233 1 3 . 1 1 22 22 PHE N N 22 112.136 112.136 117.287 -5.151 25488 1234 1 3 . 1 1 22 22 PHE H H 22 8.003 8.003 7.614 0.389 25488 1235 1 3 . 1 1 23 23 TYR N N 23 116.244 116.244 116.231 0.013 25488 1236 1 3 . 1 1 23 23 TYR H H 23 7.678 7.678 7.696 -0.018 25488 1237 1 3 . 1 1 24 24 LEU N N 24 115.582 115.582 119.805 -4.223 25488 1238 1 3 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.052 0.083 25488 1239 1 3 . 1 1 24 24 LEU H H 24 7.238 7.238 7.861 -0.623 25488 1240 1 3 . 1 1 25 25 TYR N N 25 119.996 119.996 117.716 2.280 25488 1241 1 3 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.724 -0.319 25488 1242 1 3 . 1 1 25 25 TYR H H 25 7.826 7.826 7.431 0.395 25488 1243 1 3 . 1 1 26 26 ASP N N 26 129.292 129.292 127.154 2.138 25488 1244 1 3 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.553 -0.092 25488 1245 1 3 . 1 1 26 26 ASP H H 26 8.121 8.121 8.311 -0.190 25488 1246 1 3 . 1 1 28 28 GLU N N 28 122.115 122.115 121.785 0.330 25488 1247 1 3 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.245 0.036 25488 1248 1 3 . 1 1 28 28 GLU H H 28 8.262 8.262 7.804 0.458 25488 1249 1 3 . 1 1 29 29 THR N N 29 114.171 114.171 114.721 -0.550 25488 1250 1 3 . 1 1 29 29 THR HA H 29 4.222 4.222 4.269 -0.047 25488 1251 1 3 . 1 1 29 29 THR H H 29 7.496 7.496 7.724 -0.228 25488 1252 1 3 . 1 1 30 30 LYS N N 30 123.019 123.019 122.921 0.098 25488 1253 1 3 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.250 -0.032 25488 1254 1 3 . 1 1 30 30 LYS H H 30 8.154 8.154 7.468 0.686 25488 1255 1 3 . 1 1 32 32 ALA N N 32 126.481 126.481 126.693 -0.212 25488 1256 1 3 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.285 -0.035 25488 1257 1 3 . 1 1 32 32 ALA H H 32 8.424 8.424 8.672 -0.248 25488 1258 1 3 . 1 1 33 33 ASN N N 33 116.834 116.834 118.116 -1.282 25488 1259 1 3 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.583 0.115 25488 1260 1 3 . 1 1 33 33 ASN H H 33 8.312 8.312 7.911 0.401 25488 1261 1 3 . 1 1 34 34 SER N N 34 116.960 116.960 116.904 0.056 25488 1262 1 3 . 1 1 34 34 SER HA H 34 4.522 4.522 4.204 0.318 25488 1263 1 3 . 1 1 34 34 SER H H 34 8.112 8.112 8.704 -0.592 25488 1264 1 3 . 1 1 35 35 LEU N N 35 125.335 125.335 123.472 1.863 25488 1265 1 3 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.007 -0.456 25488 1266 1 3 . 1 1 35 35 LEU H H 35 8.324 8.324 8.102 0.222 25488 1267 1 3 . 1 1 36 36 GLU N N 36 119.302 119.302 119.378 -0.076 25488 1268 1 3 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.951 -0.008 25488 1269 1 3 . 1 1 36 36 GLU H H 36 8.239 8.239 8.629 -0.390 25488 1270 1 3 . 1 1 37 37 ALA N N 37 120.683 120.683 120.609 0.074 25488 1271 1 3 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.233 -0.186 25488 1272 1 3 . 1 1 37 37 ALA H H 37 7.898 7.898 7.824 0.074 25488 1273 1 3 . 1 1 38 38 LYS N N 38 119.470 119.470 120.289 -0.819 25488 1274 1 3 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.072 0.261 25488 1275 1 3 . 1 1 38 38 LYS H H 38 8.217 8.217 7.919 0.298 25488 1276 1 3 . 1 1 39 39 LEU N N 39 122.664 122.664 120.105 2.559 25488 1277 1 3 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.213 -0.299 25488 1278 1 3 . 1 1 39 39 LEU H H 39 8.658 8.658 8.611 0.047 25488 1279 1 3 . 1 1 40 40 LYS N N 40 118.301 118.301 119.229 -0.928 25488 1280 1 3 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.166 0.507 25488 1281 1 3 . 1 1 40 40 LYS H H 40 8.221 8.221 7.863 0.358 25488 1282 1 3 . 1 1 41 41 GLU N N 41 121.462 121.462 119.862 1.600 25488 1283 1 3 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.203 -0.135 25488 1284 1 3 . 1 1 41 41 GLU H H 41 7.736 7.736 8.346 -0.610 25488 1285 1 3 . 1 1 42 42 MET N N 42 123.761 123.761 119.389 4.372 25488 1286 1 3 . 1 1 42 42 MET HA H 42 4.046 4.046 4.468 -0.422 25488 1287 1 3 . 1 1 42 42 MET H H 42 7.672 7.672 7.782 -0.110 25488 1288 1 3 . 1 1 43 43 GLN N N 43 120.035 120.035 118.100 1.935 25488 1289 1 3 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.044 -0.248 25488 1290 1 3 . 1 1 43 43 GLN H H 43 8.904 8.904 8.104 0.800 25488 1291 1 3 . 1 1 44 44 LYS N N 44 119.131 119.131 121.700 -2.569 25488 1292 1 3 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.170 -0.118 25488 1293 1 3 . 1 1 44 44 LYS H H 44 8.511 8.511 7.486 1.025 25488 1294 1 3 . 1 1 45 45 PHE N N 45 123.544 123.544 120.753 2.791 25488 1295 1 3 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.147 -0.297 25488 1296 1 3 . 1 1 45 45 PHE H H 45 8.438 8.438 8.284 0.153 25488 1297 1 3 . 1 1 46 46 PHE N N 46 112.789 112.789 115.150 -2.361 25488 1298 1 3 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.188 0.394 25488 1299 1 3 . 1 1 46 46 PHE H H 46 8.273 8.273 8.149 0.124 25488 1300 1 3 . 1 1 47 47 GLY N N 47 110.408 110.408 106.740 3.668 25488 1301 1 3 . 1 1 47 47 GLY H H 47 7.922 7.922 7.577 0.345 25488 1302 1 3 . 1 1 48 48 LEU N N 48 121.853 121.853 122.538 -0.685 25488 1303 1 3 . 1 1 48 48 LEU H H 48 8.747 8.747 8.302 0.445 25488 1304 1 3 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.514 -0.313 25488 1305 1 3 . 1 1 50 50 ILE N N 50 127.000 127.000 118.182 8.818 25488 1306 1 3 . 1 1 50 50 ILE H H 50 8.529 8.529 7.386 1.143 25488 1307 1 3 . 1 1 51 51 THR N N 51 116.519 116.519 114.694 1.825 25488 1308 1 3 . 1 1 51 51 THR H H 51 7.980 7.980 8.182 -0.202 25488 1309 1 3 . 1 1 52 52 GLY N N 52 112.725 112.725 115.642 -2.917 25488 1310 1 3 . 1 1 52 52 GLY H H 52 9.483 9.483 9.804 -0.321 25488 1311 1 3 . 1 1 53 53 MET N N 53 116.735 116.735 120.262 -3.527 25488 1312 1 3 . 1 1 53 53 MET HA H 53 4.044 4.044 4.647 -0.603 25488 1313 1 3 . 1 1 53 53 MET H H 53 7.969 7.969 8.647 -0.678 25488 1314 1 3 . 1 1 54 54 LEU N N 54 122.602 122.602 127.380 -4.778 25488 1315 1 3 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.680 -0.974 25488 1316 1 3 . 1 1 54 54 LEU H H 54 7.926 7.926 8.322 -0.396 25488 1317 1 3 . 1 1 55 55 ASN N N 55 115.755 115.755 121.999 -6.244 25488 1318 1 3 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.976 -0.236 25488 1319 1 3 . 1 1 55 55 ASN H H 55 6.555 6.555 8.469 -1.914 25488 1320 1 3 . 1 1 56 56 SER N N 56 121.450 121.450 120.520 0.930 25488 1321 1 3 . 1 1 56 56 SER HA H 56 4.662 4.662 4.320 0.342 25488 1322 1 3 . 1 1 56 56 SER H H 56 8.205 8.205 8.996 -0.791 25488 1323 1 3 . 1 1 57 57 ARG N N 57 123.219 123.219 122.740 0.479 25488 1324 1 3 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.072 0.134 25488 1325 1 3 . 1 1 57 57 ARG H H 57 7.883 7.883 8.143 -0.260 25488 1326 1 3 . 1 1 58 58 VAL N N 58 118.843 118.843 118.031 0.812 25488 1327 1 3 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.690 -0.390 25488 1328 1 3 . 1 1 58 58 VAL H H 58 7.594 7.594 8.329 -0.735 25488 1329 1 3 . 1 1 59 59 ILE N N 59 119.212 119.212 119.306 -0.094 25488 1330 1 3 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.432 0.037 25488 1331 1 3 . 1 1 59 59 ILE H H 59 7.326 7.326 7.552 -0.226 25488 1332 1 3 . 1 1 60 60 GLU N N 60 119.544 119.544 120.320 -0.776 25488 1333 1 3 . 1 1 60 60 GLU H H 60 7.880 7.880 7.418 0.462 25488 1334 1 3 . 1 1 61 61 ILE N N 61 118.812 118.812 112.980 5.832 25488 1335 1 3 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.395 0.047 25488 1336 1 3 . 1 1 61 61 ILE H H 61 7.217 7.217 7.096 0.121 25488 1337 1 3 . 1 1 62 62 MET N N 62 120.202 120.202 117.301 2.901 25488 1338 1 3 . 1 1 62 62 MET HA H 62 3.419 3.419 4.304 -0.885 25488 1339 1 3 . 1 1 62 62 MET H H 62 7.820 7.820 7.178 0.642 25488 1340 1 3 . 1 1 63 63 GLN N N 63 116.274 116.274 116.216 0.058 25488 1341 1 3 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.392 -0.151 25488 1342 1 3 . 1 1 63 63 GLN H H 63 7.442 7.442 8.050 -0.608 25488 1343 1 3 . 1 1 64 64 LYS N N 64 121.450 121.450 121.948 -0.498 25488 1344 1 3 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.245 0.254 25488 1345 1 3 . 1 1 64 64 LYS H H 64 7.474 7.474 7.251 0.223 25488 1346 1 3 . 1 1 66 66 ARG N N 66 113.173 113.173 121.061 -7.888 25488 1347 1 3 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.473 -0.034 25488 1348 1 3 . 1 1 66 66 ARG H H 66 8.151 8.151 7.908 0.243 25488 1349 1 3 . 1 1 67 67 CYS N N 67 121.794 121.794 118.858 2.936 25488 1350 1 3 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.837 -0.417 25488 1351 1 3 . 1 1 67 67 CYS H H 67 7.709 7.709 8.290 -0.581 25488 1352 1 3 . 1 1 68 68 GLY N N 68 116.255 116.255 108.538 7.717 25488 1353 1 3 . 1 1 68 68 GLY H H 68 9.707 9.707 8.707 1.000 25488 1354 1 3 . 1 1 69 69 VAL N N 69 126.541 126.541 118.357 8.184 25488 1355 1 3 . 1 1 69 69 VAL HA H 69 3.807 3.807 3.820 -0.013 25488 1356 1 3 . 1 1 69 69 VAL H H 69 9.118 9.118 7.502 1.616 25488 1357 1 3 . 1 1 71 71 ASP N N 71 119.114 119.114 125.673 -6.559 25488 1358 1 3 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.500 -0.017 25488 1359 1 3 . 1 1 71 71 ASP H H 71 8.067 8.067 8.011 0.056 25488 1360 1 3 . 1 1 72 72 VAL N N 72 112.988 112.988 118.184 -5.196 25488 1361 1 3 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.093 0.188 25488 1362 1 3 . 1 1 72 72 VAL H H 72 6.438 6.438 7.229 -0.791 25488 1363 1 3 . 1 1 73 73 ALA N N 73 125.902 125.902 128.375 -2.473 25488 1364 1 3 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.297 -0.030 25488 1365 1 3 . 1 1 73 73 ALA H H 73 8.171 8.171 8.509 -0.338 25488 1366 1 3 . 1 1 74 74 GLU N N 74 120.835 120.835 124.127 -3.292 25488 1367 1 3 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.293 -0.210 25488 1368 1 3 . 1 1 74 74 GLU H H 74 8.385 8.385 7.772 0.613 25488 1369 1 3 . 1 1 75 75 TYR N N 75 121.820 121.820 121.719 0.101 25488 1370 1 3 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.230 0.164 25488 1371 1 3 . 1 1 75 75 TYR H H 75 8.102 8.102 8.877 -0.775 25488 1372 1 3 . 1 1 76 76 SER N N 76 117.881 117.881 112.748 5.133 25488 1373 1 3 . 1 1 76 76 SER H H 76 7.718 7.718 8.466 -0.748 25488 1374 1 3 . 1 1 77 77 LEU N N 77 123.835 123.835 120.154 3.681 25488 1375 1 3 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.089 0.003 25488 1376 1 3 . 1 1 77 77 LEU H H 77 8.033 8.033 7.417 0.616 25488 1377 1 3 . 1 1 78 78 PHE N N 78 118.893 118.893 119.996 -1.103 25488 1378 1 3 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.904 -0.059 25488 1379 1 3 . 1 1 78 78 PHE H H 78 7.822 7.822 7.100 0.722 25488 1380 1 3 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.352 -0.021 25488 1381 1 3 . 1 1 80 80 ASN N N 80 118.184 118.184 122.916 -4.732 25488 1382 1 3 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.763 -0.083 25488 1383 1 3 . 1 1 80 80 ASN H H 80 8.106 8.106 8.038 0.068 25488 1384 1 3 . 1 1 81 81 SER HA H 81 4.636 4.636 4.657 -0.021 25488 1385 1 3 . 1 1 83 83 LYS N N 83 114.696 114.696 120.874 -6.178 25488 1386 1 3 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.597 -0.374 25488 1387 1 3 . 1 1 83 83 LYS H H 83 7.361 7.361 7.946 -0.585 25488 1388 1 3 . 1 1 84 84 TRP N N 84 122.459 122.459 121.735 0.724 25488 1389 1 3 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.866 -0.863 25488 1390 1 3 . 1 1 84 84 TRP H H 84 8.020 8.020 8.731 -0.711 25488 1391 1 3 . 1 1 85 85 THR N N 85 113.482 113.482 114.915 -1.433 25488 1392 1 3 . 1 1 85 85 THR HA H 85 4.586 4.586 4.216 0.370 25488 1393 1 3 . 1 1 85 85 THR H H 85 8.833 8.833 8.493 0.340 25488 1394 1 3 . 1 1 86 86 SER N N 86 117.316 117.316 115.006 2.310 25488 1395 1 3 . 1 1 86 86 SER HA H 86 4.665 4.665 4.711 -0.046 25488 1396 1 3 . 1 1 86 86 SER H H 86 7.724 7.724 7.774 -0.050 25488 1397 1 3 . 1 1 87 87 LYS N N 87 120.411 120.411 124.086 -3.675 25488 1398 1 3 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.366 -0.227 25488 1399 1 3 . 1 1 87 87 LYS H H 87 8.312 8.312 8.879 -0.567 25488 1400 1 3 . 1 1 88 88 VAL N N 88 117.674 117.674 119.287 -1.613 25488 1401 1 3 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.842 -0.191 25488 1402 1 3 . 1 1 88 88 VAL H H 88 7.425 7.425 7.484 -0.059 25488 1403 1 3 . 1 1 89 89 VAL N N 89 131.493 131.493 126.819 4.674 25488 1404 1 3 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.452 -0.311 25488 1405 1 3 . 1 1 89 89 VAL H H 89 8.574 8.574 8.974 -0.400 25488 1406 1 3 . 1 1 90 90 THR N N 90 118.245 118.245 118.216 0.029 25488 1407 1 3 . 1 1 90 90 THR HA H 90 5.627 5.627 5.444 0.183 25488 1408 1 3 . 1 1 90 90 THR H H 90 9.021 9.021 9.116 -0.095 25488 1409 1 3 . 1 1 91 91 TYR N N 91 118.267 118.267 119.049 -0.782 25488 1410 1 3 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.372 0.302 25488 1411 1 3 . 1 1 91 91 TYR H H 91 8.555 8.555 8.346 0.209 25488 1412 1 3 . 1 1 92 92 ARG N N 92 120.260 120.260 120.495 -0.235 25488 1413 1 3 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.771 -0.125 25488 1414 1 3 . 1 1 92 92 ARG H H 92 8.513 8.513 8.871 -0.358 25488 1415 1 3 . 1 1 93 93 ILE N N 93 128.361 128.361 126.705 1.656 25488 1416 1 3 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.494 0.125 25488 1417 1 3 . 1 1 93 93 ILE H H 93 8.878 8.878 9.024 -0.146 25488 1418 1 3 . 1 1 94 94 VAL N N 94 126.374 126.374 128.070 -1.696 25488 1419 1 3 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.104 -0.104 25488 1420 1 3 . 1 1 94 94 VAL H H 94 9.492 9.492 9.016 0.476 25488 1421 1 3 . 1 1 95 95 SER N N 95 113.303 113.303 113.364 -0.061 25488 1422 1 3 . 1 1 95 95 SER HA H 95 4.705 4.705 4.651 0.054 25488 1423 1 3 . 1 1 95 95 SER H H 95 7.431 7.431 7.635 -0.204 25488 1424 1 3 . 1 1 96 96 TYR N N 96 117.054 117.054 117.261 -0.207 25488 1425 1 3 . 1 1 96 96 TYR H H 96 8.255 8.255 7.563 0.692 25488 1426 1 3 . 1 1 98 98 ARG N N 98 128.445 128.445 123.538 4.907 25488 1427 1 3 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.190 0.148 25488 1428 1 3 . 1 1 98 98 ARG H H 98 8.964 8.964 8.525 0.439 25488 1429 1 3 . 1 1 99 99 ASP N N 99 120.412 120.412 118.837 1.575 25488 1430 1 3 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.538 -0.203 25488 1431 1 3 . 1 1 99 99 ASP H H 99 8.695 8.695 8.435 0.260 25488 1432 1 3 . 1 1 100 100 LEU N N 100 116.851 116.851 119.669 -2.818 25488 1433 1 3 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.746 0.187 25488 1434 1 3 . 1 1 100 100 LEU H H 100 6.902 6.902 7.315 -0.413 25488 1435 1 3 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.925 0.242 25488 1436 1 3 . 1 1 103 103 ILE N N 103 115.469 115.469 115.546 -0.077 25488 1437 1 3 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.576 0.597 25488 1438 1 3 . 1 1 103 103 ILE H H 103 8.296 8.296 7.996 0.300 25488 1439 1 3 . 1 1 104 104 THR N N 104 119.413 119.413 114.267 5.146 25488 1440 1 3 . 1 1 104 104 THR HA H 104 4.019 4.019 3.902 0.117 25488 1441 1 3 . 1 1 104 104 THR H H 104 6.915 6.915 7.779 -0.864 25488 1442 1 3 . 1 1 105 105 VAL N N 105 123.232 123.232 121.781 1.451 25488 1443 1 3 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.506 -0.092 25488 1444 1 3 . 1 1 105 105 VAL H H 105 7.379 7.379 7.085 0.294 25488 1445 1 3 . 1 1 106 106 ASP N N 106 120.160 120.160 119.628 0.532 25488 1446 1 3 . 1 1 106 106 ASP H H 106 8.615 8.615 8.301 0.314 25488 1447 1 3 . 1 1 107 107 ARG N N 107 121.041 121.041 117.991 3.050 25488 1448 1 3 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.147 -0.057 25488 1449 1 3 . 1 1 107 107 ARG H H 107 8.372 8.372 8.315 0.057 25488 1450 1 3 . 1 1 108 108 LEU N N 108 121.644 121.644 120.257 1.387 25488 1451 1 3 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.207 0.046 25488 1452 1 3 . 1 1 108 108 LEU H H 108 8.768 8.768 7.746 1.022 25488 1453 1 3 . 1 1 109 109 VAL N N 109 120.347 120.347 116.710 3.637 25488 1454 1 3 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.600 -0.229 25488 1455 1 3 . 1 1 109 109 VAL H H 109 8.762 8.762 8.049 0.713 25488 1456 1 3 . 1 1 110 110 SER N N 110 112.949 112.949 118.025 -5.076 25488 1457 1 3 . 1 1 110 110 SER HA H 110 4.270 4.270 4.132 0.138 25488 1458 1 3 . 1 1 110 110 SER H H 110 7.605 7.605 7.621 -0.016 25488 1459 1 3 . 1 1 111 111 LYS N N 111 122.434 122.434 121.998 0.436 25488 1460 1 3 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.952 0.090 25488 1461 1 3 . 1 1 111 111 LYS H H 111 8.146 8.146 8.440 -0.294 25488 1462 1 3 . 1 1 112 112 ALA N N 112 124.099 124.099 120.896 3.203 25488 1463 1 3 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.830 0.247 25488 1464 1 3 . 1 1 112 112 ALA H H 112 8.270 8.270 7.535 0.735 25488 1465 1 3 . 1 1 113 113 LEU N N 113 116.251 116.251 117.735 -1.484 25488 1466 1 3 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.588 0.134 25488 1467 1 3 . 1 1 113 113 LEU H H 113 8.019 8.019 7.690 0.329 25488 1468 1 3 . 1 1 114 114 ASN N N 114 116.659 116.659 116.294 0.365 25488 1469 1 3 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.499 0.030 25488 1470 1 3 . 1 1 114 114 ASN H H 114 8.197 8.197 7.852 0.345 25488 1471 1 3 . 1 1 115 115 MET N N 115 122.118 122.118 118.667 3.451 25488 1472 1 3 . 1 1 115 115 MET HA H 115 4.013 4.013 4.077 -0.064 25488 1473 1 3 . 1 1 115 115 MET H H 115 7.918 7.918 7.153 0.765 25488 1474 1 3 . 1 1 116 116 TRP N N 116 117.117 117.117 115.924 1.193 25488 1475 1 3 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.535 -0.025 25488 1476 1 3 . 1 1 116 116 TRP H H 116 6.773 6.773 7.037 -0.264 25488 1477 1 3 . 1 1 117 117 GLY N N 117 104.656 104.656 105.902 -1.246 25488 1478 1 3 . 1 1 117 117 GLY H H 117 9.305 9.305 8.772 0.533 25488 1479 1 3 . 1 1 118 118 LYS N N 118 118.567 118.567 118.538 0.029 25488 1480 1 3 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.256 -0.079 25488 1481 1 3 . 1 1 118 118 LYS H H 118 7.947 7.947 7.418 0.529 25488 1482 1 3 . 1 1 119 119 GLU N N 119 113.899 113.899 118.883 -4.984 25488 1483 1 3 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.444 0.364 25488 1484 1 3 . 1 1 119 119 GLU H H 119 7.773 7.773 7.787 -0.014 25488 1485 1 3 . 1 1 120 120 ILE N N 120 111.215 111.215 121.501 -10.286 25488 1486 1 3 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.794 0.527 25488 1487 1 3 . 1 1 120 120 ILE H H 120 7.528 7.528 8.377 -0.849 25488 1488 1 3 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.329 0.292 25488 1489 1 3 . 1 1 122 122 LEU N N 122 121.481 121.481 121.110 0.371 25488 1490 1 3 . 1 1 122 122 LEU HA H 122 4.292 4.292 3.859 0.433 25488 1491 1 3 . 1 1 122 122 LEU H H 122 6.815 6.815 7.542 -0.727 25488 1492 1 3 . 1 1 123 123 HIS N N 123 120.769 120.769 122.627 -1.858 25488 1493 1 3 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.685 -0.093 25488 1494 1 3 . 1 1 123 123 HIS H H 123 7.709 7.709 8.709 -1.000 25488 1495 1 3 . 1 1 124 124 PHE N N 124 120.530 120.530 123.842 -3.312 25488 1496 1 3 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.638 0.174 25488 1497 1 3 . 1 1 124 124 PHE H H 124 8.306 8.306 8.774 -0.468 25488 1498 1 3 . 1 1 125 125 ARG N N 125 123.891 123.891 125.108 -1.217 25488 1499 1 3 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.730 -0.077 25488 1500 1 3 . 1 1 125 125 ARG H H 125 8.408 8.408 8.715 -0.307 25488 1501 1 3 . 1 1 126 126 LYS N N 126 130.178 130.178 126.171 4.007 25488 1502 1 3 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.618 -0.257 25488 1503 1 3 . 1 1 126 126 LYS H H 126 8.468 8.468 8.538 -0.070 25488 1504 1 3 . 1 1 127 127 VAL N N 127 125.180 125.180 125.596 -0.416 25488 1505 1 3 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.273 0.235 25488 1506 1 3 . 1 1 127 127 VAL H H 127 8.679 8.679 7.926 0.753 25488 1507 1 3 . 1 1 128 128 VAL N N 128 117.584 117.584 120.742 -3.158 25488 1508 1 3 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.364 -0.078 25488 1509 1 3 . 1 1 128 128 VAL H H 128 8.469 8.469 8.446 0.023 25488 1510 1 3 . 1 1 129 129 TRP N N 129 119.805 119.805 119.359 0.446 25488 1511 1 3 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.779 -0.093 25488 1512 1 3 . 1 1 129 129 TRP H H 129 7.447 7.447 7.316 0.131 25488 1513 1 3 . 1 1 130 130 GLY N N 130 109.844 109.844 110.030 -0.186 25488 1514 1 3 . 1 1 130 130 GLY H H 130 8.072 8.072 8.049 0.023 25488 1515 1 3 . 1 1 131 131 THR N N 131 116.125 116.125 114.075 2.050 25488 1516 1 3 . 1 1 131 131 THR HA H 131 4.123 4.123 4.435 -0.312 25488 1517 1 3 . 1 1 131 131 THR H H 131 8.196 8.196 8.138 0.058 25488 1518 1 3 . 1 1 132 132 ALA N N 132 129.613 129.613 127.376 2.237 25488 1519 1 3 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.444 0.067 25488 1520 1 3 . 1 1 132 132 ALA H H 132 7.919 7.919 8.383 -0.464 25488 1521 1 3 . 1 1 133 133 ASP N N 133 123.004 123.004 122.551 0.453 25488 1522 1 3 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.779 -0.337 25488 1523 1 3 . 1 1 133 133 ASP H H 133 8.248 8.248 8.280 -0.032 25488 1524 1 3 . 1 1 134 134 ILE N N 134 125.478 125.478 123.044 2.434 25488 1525 1 3 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.308 -0.215 25488 1526 1 3 . 1 1 134 134 ILE H H 134 8.804 8.804 8.194 0.610 25488 1527 1 3 . 1 1 135 135 MET N N 135 127.471 127.471 127.549 -0.078 25488 1528 1 3 . 1 1 135 135 MET HA H 135 5.194 5.194 5.067 0.127 25488 1529 1 3 . 1 1 135 135 MET H H 135 7.437 7.437 9.784 -2.347 25488 1530 1 3 . 1 1 136 136 ILE N N 136 125.040 125.040 125.763 -0.723 25488 1531 1 3 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.587 0.990 25488 1532 1 3 . 1 1 136 136 ILE H H 136 9.085 9.085 9.013 0.072 25488 1533 1 3 . 1 1 137 137 GLY N N 137 112.059 112.059 114.457 -2.398 25488 1534 1 3 . 1 1 137 137 GLY H H 137 8.568 8.568 8.399 0.169 25488 1535 1 3 . 1 1 138 138 PHE N N 138 119.447 119.447 119.210 0.237 25488 1536 1 3 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.456 -0.002 25488 1537 1 3 . 1 1 138 138 PHE H H 138 7.861 7.861 8.778 -0.917 25488 1538 1 3 . 1 1 139 139 ALA N N 139 123.657 123.657 126.184 -2.527 25488 1539 1 3 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.776 -0.041 25488 1540 1 3 . 1 1 139 139 ALA H H 139 8.939 8.939 8.459 0.480 25488 1541 1 3 . 1 1 140 140 ARG N N 140 118.688 118.688 119.617 -0.929 25488 1542 1 3 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.781 0.293 25488 1543 1 3 . 1 1 140 140 ARG H H 140 8.563 8.563 8.488 0.075 25488 1544 1 3 . 1 1 141 141 GLY N N 141 108.964 108.964 112.625 -3.661 25488 1545 1 3 . 1 1 141 141 GLY H H 141 9.018 9.018 9.328 -0.310 25488 1546 1 3 . 1 1 143 143 HIS N N 143 120.218 120.218 114.161 6.057 25488 1547 1 3 . 1 1 143 143 HIS H H 143 8.998 8.998 7.651 1.347 25488 1548 1 3 . 1 1 145 145 ASP N N 145 117.684 117.684 121.039 -3.355 25488 1549 1 3 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.934 -0.234 25488 1550 1 3 . 1 1 145 145 ASP H H 145 7.088 7.088 7.963 -0.875 25488 1551 1 3 . 1 1 146 146 SER HA H 146 4.140 4.140 4.202 -0.062 25488 1552 1 3 . 1 1 146 146 SER H H 146 8.220 8.220 8.593 -0.373 25488 1553 1 3 . 1 1 147 147 TYR N N 147 120.867 120.867 116.489 4.378 25488 1554 1 3 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.274 0.514 25488 1555 1 3 . 1 1 147 147 TYR H H 147 7.459 7.459 8.161 -0.702 25488 1556 1 3 . 1 1 149 149 PHE N N 149 120.630 120.630 118.497 2.133 25488 1557 1 3 . 1 1 149 149 PHE H H 149 8.018 8.018 8.197 -0.179 25488 1558 1 3 . 1 1 150 150 ASP N N 150 115.626 115.626 117.810 -2.184 25488 1559 1 3 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.242 0.601 25488 1560 1 3 . 1 1 150 150 ASP H H 150 7.543 7.543 7.030 0.513 25488 1561 1 3 . 1 1 151 151 GLY N N 151 110.700 110.700 109.059 1.641 25488 1562 1 3 . 1 1 151 151 GLY H H 151 9.074 9.074 8.161 0.913 25488 1563 1 3 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.178 -0.152 25488 1564 1 3 . 1 1 153 153 GLY N N 153 118.786 118.786 114.405 4.381 25488 1565 1 3 . 1 1 153 153 GLY H H 153 11.385 11.385 8.632 2.753 25488 1566 1 3 . 1 1 154 154 ASN N N 154 120.613 120.613 120.158 0.455 25488 1567 1 3 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.171 0.027 25488 1568 1 3 . 1 1 154 154 ASN H H 154 9.225 9.225 8.308 0.917 25488 1569 1 3 . 1 1 155 155 THR N N 155 118.700 118.700 112.203 6.497 25488 1570 1 3 . 1 1 155 155 THR HA H 155 5.542 5.542 4.276 1.266 25488 1571 1 3 . 1 1 155 155 THR H H 155 9.519 9.519 8.118 1.401 25488 1572 1 3 . 1 1 156 156 LEU N N 156 122.765 122.765 116.266 6.499 25488 1573 1 3 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.966 -0.024 25488 1574 1 3 . 1 1 156 156 LEU H H 156 8.500 8.500 8.090 0.410 25488 1575 1 3 . 1 1 157 157 ALA N N 157 115.545 115.545 120.106 -4.561 25488 1576 1 3 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.891 0.116 25488 1577 1 3 . 1 1 157 157 ALA H H 157 7.545 7.545 7.412 0.133 25488 1578 1 3 . 1 1 158 158 HIS N N 158 111.868 111.868 117.233 -5.365 25488 1579 1 3 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.836 -0.219 25488 1580 1 3 . 1 1 158 158 HIS H H 158 8.774 8.774 8.048 0.726 25488 1581 1 3 . 1 1 159 159 ALA N N 159 118.565 118.565 123.799 -5.234 25488 1582 1 3 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.896 -0.239 25488 1583 1 3 . 1 1 159 159 ALA H H 159 6.114 6.114 8.245 -2.131 25488 1584 1 3 . 1 1 160 160 PHE N N 160 118.042 118.042 121.915 -3.873 25488 1585 1 3 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.778 -0.297 25488 1586 1 3 . 1 1 160 160 PHE H H 160 7.897 7.897 8.393 -0.496 25488 1587 1 3 . 1 1 161 161 ALA N N 161 123.548 123.548 124.980 -1.432 25488 1588 1 3 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.612 -0.129 25488 1589 1 3 . 1 1 161 161 ALA H H 161 8.089 8.089 8.919 -0.830 25488 1590 1 3 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.287 -0.416 25488 1591 1 3 . 1 1 163 163 GLY N N 163 107.255 107.255 109.269 -2.014 25488 1592 1 3 . 1 1 163 163 GLY H H 163 5.992 5.992 7.239 -1.247 25488 1593 1 3 . 1 1 165 165 GLY H H 165 9.149 9.149 7.791 1.358 25488 1594 1 3 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.073 0.080 25488 1595 1 3 . 1 1 167 167 GLY N N 167 103.338 103.338 103.180 0.158 25488 1596 1 3 . 1 1 167 167 GLY H H 167 7.774 7.774 7.385 0.389 25488 1597 1 3 . 1 1 168 168 GLY N N 168 121.031 121.031 107.646 13.385 25488 1598 1 3 . 1 1 168 168 GLY H H 168 7.685 7.685 8.236 -0.551 25488 1599 1 3 . 1 1 169 169 ASP N N 169 123.703 123.703 121.363 2.340 25488 1600 1 3 . 1 1 169 169 ASP H H 169 8.578 8.578 7.905 0.673 25488 1601 1 3 . 1 1 170 170 ALA N N 170 119.569 119.569 120.488 -0.919 25488 1602 1 3 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.991 -0.287 25488 1603 1 3 . 1 1 170 170 ALA H H 170 8.371 8.371 8.619 -0.248 25488 1604 1 3 . 1 1 171 171 HIS N N 171 120.286 120.286 121.469 -1.183 25488 1605 1 3 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.899 0.831 25488 1606 1 3 . 1 1 171 171 HIS H H 171 8.513 8.513 8.090 0.423 25488 1607 1 3 . 1 1 172 172 PHE N N 172 120.919 120.919 123.143 -2.224 25488 1608 1 3 . 1 1 172 172 PHE H H 172 8.457 8.457 8.385 0.072 25488 1609 1 3 . 1 1 173 173 ASP N N 173 123.993 123.993 122.051 1.942 25488 1610 1 3 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.883 -0.987 25488 1611 1 3 . 1 1 173 173 ASP H H 173 7.915 7.915 8.553 -0.638 25488 1612 1 3 . 1 1 174 174 GLU N N 174 132.684 132.684 127.460 5.224 25488 1613 1 3 . 1 1 174 174 GLU H H 174 9.461 9.461 8.498 0.963 25488 1614 1 3 . 1 1 175 175 ASP N N 175 117.313 117.313 118.622 -1.309 25488 1615 1 3 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.730 0.067 25488 1616 1 3 . 1 1 175 175 ASP H H 175 8.756 8.756 8.425 0.331 25488 1617 1 3 . 1 1 176 176 GLU N N 176 116.511 116.511 118.948 -2.437 25488 1618 1 3 . 1 1 176 176 GLU H H 176 7.154 7.154 7.797 -0.643 25488 1619 1 3 . 1 1 177 177 ARG N N 177 121.920 121.920 126.783 -4.863 25488 1620 1 3 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.314 0.311 25488 1621 1 3 . 1 1 177 177 ARG H H 177 7.555 7.555 8.321 -0.766 25488 1622 1 3 . 1 1 178 178 TRP N N 178 129.182 129.182 125.251 3.931 25488 1623 1 3 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.739 -0.626 25488 1624 1 3 . 1 1 178 178 TRP H H 178 8.788 8.788 8.585 0.203 25488 1625 1 3 . 1 1 179 179 THR N N 179 112.874 112.874 113.653 -0.779 25488 1626 1 3 . 1 1 179 179 THR HA H 179 5.015 5.015 4.701 0.314 25488 1627 1 3 . 1 1 179 179 THR H H 179 8.946 8.946 8.424 0.522 25488 1628 1 3 . 1 1 180 180 ASP N N 180 121.969 121.969 124.027 -2.058 25488 1629 1 3 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.849 -0.427 25488 1630 1 3 . 1 1 180 180 ASP H H 180 8.478 8.478 8.512 -0.034 25488 1631 1 3 . 1 1 181 181 GLY N N 181 110.059 110.059 108.157 1.902 25488 1632 1 3 . 1 1 181 181 GLY H H 181 8.572 8.572 8.148 0.424 25488 1633 1 3 . 1 1 182 182 SER N N 182 115.564 115.564 117.984 -2.420 25488 1634 1 3 . 1 1 182 182 SER HA H 182 4.599 4.599 4.428 0.171 25488 1635 1 3 . 1 1 182 182 SER H H 182 8.173 8.173 8.038 0.135 25488 1636 1 3 . 1 1 183 183 SER N N 183 117.066 117.066 115.901 1.165 25488 1637 1 3 . 1 1 183 183 SER H H 183 7.819 7.819 8.837 -1.018 25488 1638 1 3 . 1 1 184 184 LEU N N 184 121.954 121.954 118.523 3.431 25488 1639 1 3 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.445 -0.083 25488 1640 1 3 . 1 1 184 184 LEU H H 184 8.104 8.104 7.284 0.820 25488 1641 1 3 . 1 1 185 185 GLY N N 185 108.989 108.989 106.331 2.658 25488 1642 1 3 . 1 1 185 185 GLY H H 185 7.954 7.954 7.347 0.607 25488 1643 1 3 . 1 1 186 186 ILE N N 186 123.084 123.084 120.367 2.717 25488 1644 1 3 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.128 -0.349 25488 1645 1 3 . 1 1 186 186 ILE H H 186 8.878 8.878 8.374 0.504 25488 1646 1 3 . 1 1 187 187 ASN N N 187 126.999 126.999 124.253 2.746 25488 1647 1 3 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.671 -0.275 25488 1648 1 3 . 1 1 187 187 ASN H H 187 8.575 8.575 8.618 -0.043 25488 1649 1 3 . 1 1 188 188 PHE N N 188 129.819 129.819 127.733 2.086 25488 1650 1 3 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.384 0.207 25488 1651 1 3 . 1 1 188 188 PHE H H 188 9.365 9.365 9.194 0.171 25488 1652 1 3 . 1 1 189 189 LEU N N 189 119.292 119.292 121.086 -1.794 25488 1653 1 3 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.768 0.065 25488 1654 1 3 . 1 1 189 189 LEU H H 189 8.551 8.551 8.038 0.513 25488 1655 1 3 . 1 1 191 191 ALA N N 191 120.347 120.347 120.822 -0.475 25488 1656 1 3 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.122 0.175 25488 1657 1 3 . 1 1 191 191 ALA H H 191 7.973 7.973 7.502 0.471 25488 1658 1 3 . 1 1 192 192 ALA N N 192 121.365 121.365 121.336 0.029 25488 1659 1 3 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.063 -0.046 25488 1660 1 3 . 1 1 192 192 ALA H H 192 9.258 9.258 8.486 0.772 25488 1661 1 3 . 1 1 193 193 THR N N 193 117.027 117.027 114.357 2.670 25488 1662 1 3 . 1 1 193 193 THR HA H 193 3.825 3.825 3.894 -0.069 25488 1663 1 3 . 1 1 193 193 THR H H 193 8.209 8.209 7.752 0.457 25488 1664 1 3 . 1 1 194 194 HIS N N 194 120.231 120.231 120.217 0.014 25488 1665 1 3 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.451 -0.218 25488 1666 1 3 . 1 1 194 194 HIS H H 194 7.805 7.805 8.362 -0.557 25488 1667 1 3 . 1 1 195 195 ALA N N 195 121.346 121.346 121.172 0.174 25488 1668 1 3 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.190 -0.010 25488 1669 1 3 . 1 1 195 195 ALA H H 195 8.693 8.693 7.710 0.983 25488 1670 1 3 . 1 1 196 196 LEU N N 196 114.951 114.951 117.095 -2.144 25488 1671 1 3 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.438 -0.280 25488 1672 1 3 . 1 1 196 196 LEU H H 196 8.714 8.714 8.852 -0.138 25488 1673 1 3 . 1 1 197 197 GLY N N 197 107.954 107.954 107.784 0.170 25488 1674 1 3 . 1 1 197 197 GLY H H 197 7.540 7.540 8.030 -0.490 25488 1675 1 3 . 1 1 198 198 HIS N N 198 121.996 121.996 121.756 0.240 25488 1676 1 3 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.439 0.370 25488 1677 1 3 . 1 1 198 198 HIS H H 198 7.205 7.205 8.031 -0.826 25488 1678 1 3 . 1 1 199 199 SER N N 199 118.570 118.570 115.578 2.992 25488 1679 1 3 . 1 1 199 199 SER HA H 199 4.448 4.448 4.422 0.026 25488 1680 1 3 . 1 1 199 199 SER H H 199 7.886 7.886 7.856 0.030 25488 1681 1 3 . 1 1 200 200 LEU N N 200 114.779 114.779 118.761 -3.982 25488 1682 1 3 . 1 1 200 200 LEU H H 200 7.106 7.106 7.450 -0.344 25488 1683 1 3 . 1 1 201 201 GLY N N 201 108.350 108.350 104.618 3.732 25488 1684 1 3 . 1 1 201 201 GLY H H 201 8.213 8.213 8.103 0.110 25488 1685 1 3 . 1 1 202 202 MET N N 202 119.623 119.623 119.794 -0.171 25488 1686 1 3 . 1 1 202 202 MET HA H 202 4.484 4.484 4.448 0.036 25488 1687 1 3 . 1 1 202 202 MET H H 202 8.189 8.189 7.995 0.194 25488 1688 1 3 . 1 1 203 203 GLY N N 203 109.770 109.770 108.082 1.688 25488 1689 1 3 . 1 1 203 203 GLY H H 203 8.413 8.413 8.480 -0.067 25488 1690 1 3 . 1 1 204 204 HIS N N 204 115.793 115.793 117.985 -2.192 25488 1691 1 3 . 1 1 204 204 HIS HA H 204 5.374 5.374 5.091 0.283 25488 1692 1 3 . 1 1 204 204 HIS H H 204 8.383 8.383 8.316 0.067 25488 1693 1 3 . 1 1 205 205 SER N N 205 115.497 115.497 115.462 0.035 25488 1694 1 3 . 1 1 205 205 SER HA H 205 4.721 4.721 4.785 -0.064 25488 1695 1 3 . 1 1 205 205 SER H H 205 7.223 7.223 8.739 -1.516 25488 1696 1 3 . 1 1 206 206 SER N N 206 119.268 119.268 119.782 -0.514 25488 1697 1 3 . 1 1 206 206 SER HA H 206 3.721 3.721 4.823 -1.102 25488 1698 1 3 . 1 1 206 206 SER H H 206 8.290 8.290 8.631 -0.341 25488 1699 1 3 . 1 1 207 207 ASP N N 207 126.656 126.656 124.227 2.429 25488 1700 1 3 . 1 1 207 207 ASP H H 207 8.541 8.541 7.653 0.888 25488 1701 1 3 . 1 1 209 209 ASN N N 209 115.911 115.911 116.032 -0.121 25488 1702 1 3 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.716 -0.100 25488 1703 1 3 . 1 1 209 209 ASN H H 209 8.374 8.374 8.596 -0.222 25488 1704 1 3 . 1 1 210 210 ALA N N 210 124.929 124.929 123.196 1.733 25488 1705 1 3 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.432 -0.278 25488 1706 1 3 . 1 1 210 210 ALA H H 210 8.182 8.182 7.127 1.055 25488 1707 1 3 . 1 1 211 211 VAL N N 211 130.383 130.383 119.819 10.564 25488 1708 1 3 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.339 0.911 25488 1709 1 3 . 1 1 211 211 VAL H H 211 11.554 11.554 8.543 3.011 25488 1710 1 3 . 1 1 212 212 MET N N 212 113.319 113.319 110.426 2.893 25488 1711 1 3 . 1 1 212 212 MET H H 212 7.741 7.741 7.462 0.279 25488 1712 1 3 . 1 1 213 213 TYR N N 213 130.006 130.006 126.668 3.338 25488 1713 1 3 . 1 1 213 213 TYR H H 213 7.899 7.899 7.524 0.375 25488 1714 1 3 . 1 1 215 215 THR N N 215 104.747 104.747 109.859 -5.112 25488 1715 1 3 . 1 1 215 215 THR HA H 215 4.404 4.404 3.585 0.819 25488 1716 1 3 . 1 1 215 215 THR H H 215 6.402 6.402 7.417 -1.015 25488 1717 1 3 . 1 1 216 216 TYR N N 216 124.699 124.699 126.354 -1.655 25488 1718 1 3 . 1 1 216 216 TYR H H 216 8.341 8.341 8.192 0.149 25488 1719 1 3 . 1 1 217 217 GLY N N 217 116.288 116.288 108.624 7.664 25488 1720 1 3 . 1 1 217 217 GLY H H 217 7.685 7.685 8.021 -0.336 25488 1721 1 3 . 1 1 218 218 ASN N N 218 119.920 119.920 114.642 5.278 25488 1722 1 3 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.756 -0.136 25488 1723 1 3 . 1 1 218 218 ASN H H 218 8.221 8.221 8.574 -0.353 25488 1724 1 3 . 1 1 219 219 GLY N N 219 109.601 109.601 107.156 2.445 25488 1725 1 3 . 1 1 219 219 GLY H H 219 8.072 8.072 7.745 0.327 25488 1726 1 3 . 1 1 220 220 ASP N N 220 123.006 123.006 122.140 0.866 25488 1727 1 3 . 1 1 220 220 ASP H H 220 8.280 8.280 8.300 -0.020 25488 1728 1 3 . 1 1 222 222 GLN N N 222 116.642 116.642 122.599 -5.957 25488 1729 1 3 . 1 1 222 222 GLN H H 222 8.215 8.215 8.705 -0.490 25488 1730 1 3 . 1 1 223 223 ASN N N 223 118.361 118.361 116.562 1.799 25488 1731 1 3 . 1 1 223 223 ASN H H 223 7.970 7.970 8.206 -0.236 25488 1732 1 3 . 1 1 225 225 LYS N N 225 122.215 122.215 125.842 -3.627 25488 1733 1 3 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.451 -0.035 25488 1734 1 3 . 1 1 225 225 LYS H H 225 7.656 7.656 7.840 -0.184 25488 1735 1 3 . 1 1 226 226 LEU N N 226 119.165 119.165 121.310 -2.145 25488 1736 1 3 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.438 -0.350 25488 1737 1 3 . 1 1 226 226 LEU H H 226 7.984 7.984 8.449 -0.465 25488 1738 1 3 . 1 1 227 227 SER N N 227 120.520 120.520 119.172 1.348 25488 1739 1 3 . 1 1 227 227 SER HA H 227 4.676 4.676 4.472 0.204 25488 1740 1 3 . 1 1 227 227 SER H H 227 9.646 9.646 8.415 1.231 25488 1741 1 3 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.315 0.359 25488 1742 1 3 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.429 -0.055 25488 1743 1 3 . 1 1 229 229 ASP H H 229 8.113 8.113 8.458 -0.345 25488 1744 1 3 . 1 1 230 230 ASP N N 230 119.878 119.878 118.385 1.493 25488 1745 1 3 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.564 -0.226 25488 1746 1 3 . 1 1 230 230 ASP H H 230 7.397 7.397 7.590 -0.193 25488 1747 1 3 . 1 1 231 231 ILE N N 231 120.389 120.389 119.945 0.444 25488 1748 1 3 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.788 -0.133 25488 1749 1 3 . 1 1 231 231 ILE H H 231 8.100 8.100 7.377 0.723 25488 1750 1 3 . 1 1 232 232 LYS N N 232 119.084 119.084 120.641 -1.557 25488 1751 1 3 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.068 0.027 25488 1752 1 3 . 1 1 232 232 LYS H H 232 8.581 8.581 7.955 0.626 25488 1753 1 3 . 1 1 233 233 GLY N N 233 106.424 106.424 106.466 -0.042 25488 1754 1 3 . 1 1 233 233 GLY H H 233 8.061 8.061 7.920 0.141 25488 1755 1 3 . 1 1 234 234 ILE N N 234 125.166 125.166 121.559 3.607 25488 1756 1 3 . 1 1 234 234 ILE H H 234 8.517 8.517 7.685 0.832 25488 1757 1 3 . 1 1 235 235 GLN N N 235 122.969 122.969 118.997 3.972 25488 1758 1 3 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.181 0.200 25488 1759 1 3 . 1 1 235 235 GLN H H 235 8.291 8.291 8.017 0.274 25488 1760 1 3 . 1 1 236 236 LYS N N 236 123.770 123.770 118.094 5.676 25488 1761 1 3 . 1 1 236 236 LYS H H 236 8.035 8.035 7.503 0.532 25488 1762 1 3 . 1 1 237 237 LEU N N 237 116.854 116.854 117.625 -0.771 25488 1763 1 3 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.154 -0.195 25488 1764 1 3 . 1 1 237 237 LEU H H 237 6.886 6.886 7.331 -0.445 25488 1765 1 3 . 1 1 238 238 TYR N N 238 112.132 112.132 113.699 -1.567 25488 1766 1 3 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.686 -0.060 25488 1767 1 3 . 1 1 238 238 TYR H H 238 7.459 7.459 7.667 -0.208 25488 1768 1 3 . 1 1 239 239 GLY N N 239 110.898 110.898 107.687 3.211 25488 1769 1 3 . 1 1 239 239 GLY H H 239 8.442 8.442 7.491 0.951 25488 1770 1 3 . 1 1 240 240 LYS N N 240 114.400 114.400 120.064 -5.664 25488 1771 1 3 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.421 0.383 25488 1772 1 3 . 1 1 240 240 LYS H H 240 7.865 7.865 8.451 -0.586 25488 1773 1 3 . 1 1 241 241 ARG N N 241 123.851 123.851 125.687 -1.836 25488 1774 1 3 . 1 1 241 241 ARG H H 241 7.760 7.760 8.578 -0.818 25488 1775 1 3 . 1 1 242 242 SER N N 242 135.647 135.647 117.536 18.111 25488 1776 1 3 . 1 1 242 242 SER H H 242 9.158 9.158 8.385 0.773 25488 1777 1 4 . 1 1 3 3 GLU N N 3 121.690 121.690 121.531 0.159 25488 1778 1 4 . 1 1 3 3 GLU H H 3 8.332 8.332 8.704 -0.372 25488 1779 1 4 . 1 1 4 4 ALA N N 4 124.526 124.526 120.233 4.293 25488 1780 1 4 . 1 1 4 4 ALA H H 4 8.111 8.111 8.351 -0.240 25488 1781 1 4 . 1 1 5 5 GLY N N 5 108.229 108.229 104.120 4.109 25488 1782 1 4 . 1 1 5 5 GLY H H 5 8.286 8.286 8.120 0.166 25488 1783 1 4 . 1 1 6 6 GLY N N 6 108.867 108.867 108.141 0.726 25488 1784 1 4 . 1 1 6 6 GLY H H 6 8.239 8.239 8.224 0.015 25488 1785 1 4 . 1 1 7 7 MET N N 7 119.984 119.984 119.534 0.450 25488 1786 1 4 . 1 1 7 7 MET H H 7 8.044 8.044 7.472 0.572 25488 1787 1 4 . 1 1 8 8 SER N N 8 118.771 118.771 118.672 0.099 25488 1788 1 4 . 1 1 8 8 SER HA H 8 4.239 4.239 4.668 -0.429 25488 1789 1 4 . 1 1 8 8 SER H H 8 8.738 8.738 8.146 0.592 25488 1790 1 4 . 1 1 9 9 GLU N N 9 122.551 122.551 120.800 1.751 25488 1791 1 4 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.351 -0.099 25488 1792 1 4 . 1 1 9 9 GLU H H 9 8.919 8.919 8.985 -0.066 25488 1793 1 4 . 1 1 10 10 LEU N N 10 120.638 120.638 120.085 0.553 25488 1794 1 4 . 1 1 10 10 LEU H H 10 8.017 8.017 7.595 0.422 25488 1795 1 4 . 1 1 11 11 GLN N N 11 119.889 119.889 118.619 1.270 25488 1796 1 4 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.909 0.225 25488 1797 1 4 . 1 1 11 11 GLN H H 11 7.807 7.807 8.404 -0.597 25488 1798 1 4 . 1 1 12 12 TRP N N 12 120.951 120.951 120.216 0.735 25488 1799 1 4 . 1 1 12 12 TRP H H 12 8.202 8.202 7.647 0.555 25488 1800 1 4 . 1 1 13 13 GLU N N 13 121.870 121.870 118.548 3.322 25488 1801 1 4 . 1 1 13 13 GLU H H 13 8.436 8.436 7.864 0.572 25488 1802 1 4 . 1 1 14 14 GLN N N 14 120.646 120.646 118.281 2.365 25488 1803 1 4 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.081 0.088 25488 1804 1 4 . 1 1 14 14 GLN H H 14 8.159 8.159 8.500 -0.341 25488 1805 1 4 . 1 1 15 15 ALA N N 15 123.216 123.216 122.614 0.602 25488 1806 1 4 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.317 0.021 25488 1807 1 4 . 1 1 15 15 ALA H H 15 8.355 8.355 7.535 0.819 25488 1808 1 4 . 1 1 16 16 GLN N N 16 117.766 117.766 117.352 0.414 25488 1809 1 4 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.031 -0.326 25488 1810 1 4 . 1 1 16 16 GLN H H 16 8.440 8.440 8.450 -0.010 25488 1811 1 4 . 1 1 17 17 ASP N N 17 120.090 120.090 119.909 0.181 25488 1812 1 4 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.376 0.087 25488 1813 1 4 . 1 1 17 17 ASP H H 17 7.899 7.899 7.722 0.177 25488 1814 1 4 . 1 1 18 18 TYR N N 18 122.296 122.296 121.163 1.133 25488 1815 1 4 . 1 1 18 18 TYR H H 18 8.264 8.264 7.409 0.855 25488 1816 1 4 . 1 1 19 19 LEU N N 19 117.675 117.675 119.129 -1.454 25488 1817 1 4 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.527 0.598 25488 1818 1 4 . 1 1 19 19 LEU H H 19 8.687 8.687 8.037 0.650 25488 1819 1 4 . 1 1 20 20 LYS N N 20 124.620 124.620 117.513 7.107 25488 1820 1 4 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.978 0.165 25488 1821 1 4 . 1 1 20 20 LYS H H 20 8.790 8.790 7.282 1.508 25488 1822 1 4 . 1 1 21 21 ARG N N 21 117.608 117.608 116.549 1.059 25488 1823 1 4 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.843 -0.146 25488 1824 1 4 . 1 1 21 21 ARG H H 21 7.835 7.835 7.112 0.723 25488 1825 1 4 . 1 1 22 22 PHE N N 22 112.136 112.136 116.459 -4.323 25488 1826 1 4 . 1 1 22 22 PHE H H 22 8.003 8.003 6.926 1.077 25488 1827 1 4 . 1 1 23 23 TYR N N 23 116.244 116.244 117.397 -1.153 25488 1828 1 4 . 1 1 23 23 TYR H H 23 7.678 7.678 7.794 -0.116 25488 1829 1 4 . 1 1 24 24 LEU N N 24 115.582 115.582 117.026 -1.444 25488 1830 1 4 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.077 0.058 25488 1831 1 4 . 1 1 24 24 LEU H H 24 7.238 7.238 8.181 -0.943 25488 1832 1 4 . 1 1 25 25 TYR N N 25 119.996 119.996 119.283 0.713 25488 1833 1 4 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.664 -0.259 25488 1834 1 4 . 1 1 25 25 TYR H H 25 7.826 7.826 7.597 0.229 25488 1835 1 4 . 1 1 26 26 ASP N N 26 129.292 129.292 122.159 7.133 25488 1836 1 4 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.679 -0.218 25488 1837 1 4 . 1 1 26 26 ASP H H 26 8.121 8.121 7.376 0.745 25488 1838 1 4 . 1 1 28 28 GLU N N 28 122.115 122.115 119.903 2.212 25488 1839 1 4 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.269 0.012 25488 1840 1 4 . 1 1 28 28 GLU H H 28 8.262 8.262 7.779 0.482 25488 1841 1 4 . 1 1 29 29 THR N N 29 114.171 114.171 113.776 0.395 25488 1842 1 4 . 1 1 29 29 THR HA H 29 4.222 4.222 4.221 0.001 25488 1843 1 4 . 1 1 29 29 THR H H 29 7.496 7.496 8.008 -0.512 25488 1844 1 4 . 1 1 30 30 LYS N N 30 123.019 123.019 122.766 0.253 25488 1845 1 4 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.156 0.062 25488 1846 1 4 . 1 1 30 30 LYS H H 30 8.154 8.154 7.518 0.636 25488 1847 1 4 . 1 1 32 32 ALA N N 32 126.481 126.481 126.567 -0.086 25488 1848 1 4 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.984 0.266 25488 1849 1 4 . 1 1 32 32 ALA H H 32 8.424 8.424 8.638 -0.214 25488 1850 1 4 . 1 1 33 33 ASN N N 33 116.834 116.834 113.626 3.208 25488 1851 1 4 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.727 -0.029 25488 1852 1 4 . 1 1 33 33 ASN H H 33 8.312 8.312 8.553 -0.241 25488 1853 1 4 . 1 1 34 34 SER N N 34 116.960 116.960 118.004 -1.044 25488 1854 1 4 . 1 1 34 34 SER HA H 34 4.522 4.522 4.222 0.300 25488 1855 1 4 . 1 1 34 34 SER H H 34 8.112 8.112 7.935 0.177 25488 1856 1 4 . 1 1 35 35 LEU N N 35 125.335 125.335 122.922 2.413 25488 1857 1 4 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.056 -0.505 25488 1858 1 4 . 1 1 35 35 LEU H H 35 8.324 8.324 7.991 0.333 25488 1859 1 4 . 1 1 36 36 GLU N N 36 119.302 119.302 119.673 -0.371 25488 1860 1 4 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.957 -0.014 25488 1861 1 4 . 1 1 36 36 GLU H H 36 8.239 8.239 7.798 0.441 25488 1862 1 4 . 1 1 37 37 ALA N N 37 120.683 120.683 121.280 -0.597 25488 1863 1 4 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.093 -0.046 25488 1864 1 4 . 1 1 37 37 ALA H H 37 7.898 7.898 7.603 0.295 25488 1865 1 4 . 1 1 38 38 LYS N N 38 119.470 119.470 119.293 0.177 25488 1866 1 4 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.117 0.216 25488 1867 1 4 . 1 1 38 38 LYS H H 38 8.217 8.217 7.769 0.448 25488 1868 1 4 . 1 1 39 39 LEU N N 39 122.664 122.664 119.278 3.386 25488 1869 1 4 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.073 -0.159 25488 1870 1 4 . 1 1 39 39 LEU H H 39 8.658 8.658 8.324 0.334 25488 1871 1 4 . 1 1 40 40 LYS N N 40 118.301 118.301 118.439 -0.138 25488 1872 1 4 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.995 0.678 25488 1873 1 4 . 1 1 40 40 LYS H H 40 8.221 8.221 7.607 0.614 25488 1874 1 4 . 1 1 41 41 GLU N N 41 121.462 121.462 120.703 0.759 25488 1875 1 4 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.198 -0.130 25488 1876 1 4 . 1 1 41 41 GLU H H 41 7.736 7.736 7.764 -0.028 25488 1877 1 4 . 1 1 42 42 MET N N 42 123.761 123.761 119.663 4.098 25488 1878 1 4 . 1 1 42 42 MET HA H 42 4.046 4.046 4.089 -0.043 25488 1879 1 4 . 1 1 42 42 MET H H 42 7.672 7.672 8.179 -0.507 25488 1880 1 4 . 1 1 43 43 GLN N N 43 120.035 120.035 118.639 1.396 25488 1881 1 4 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.904 -0.108 25488 1882 1 4 . 1 1 43 43 GLN H H 43 8.904 8.904 8.962 -0.058 25488 1883 1 4 . 1 1 44 44 LYS N N 44 119.131 119.131 119.869 -0.738 25488 1884 1 4 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.084 -0.032 25488 1885 1 4 . 1 1 44 44 LYS H H 44 8.511 8.511 7.909 0.602 25488 1886 1 4 . 1 1 45 45 PHE N N 45 123.544 123.544 119.465 4.079 25488 1887 1 4 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.398 -0.548 25488 1888 1 4 . 1 1 45 45 PHE H H 45 8.438 8.438 8.339 0.099 25488 1889 1 4 . 1 1 46 46 PHE N N 46 112.789 112.789 117.092 -4.303 25488 1890 1 4 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.568 0.014 25488 1891 1 4 . 1 1 46 46 PHE H H 46 8.273 8.273 8.188 0.085 25488 1892 1 4 . 1 1 47 47 GLY N N 47 110.408 110.408 107.183 3.225 25488 1893 1 4 . 1 1 47 47 GLY H H 47 7.922 7.922 7.385 0.537 25488 1894 1 4 . 1 1 48 48 LEU N N 48 121.853 121.853 122.880 -1.027 25488 1895 1 4 . 1 1 48 48 LEU H H 48 8.747 8.747 8.052 0.695 25488 1896 1 4 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.356 -0.155 25488 1897 1 4 . 1 1 50 50 ILE N N 50 127.000 127.000 119.630 7.370 25488 1898 1 4 . 1 1 50 50 ILE H H 50 8.529 8.529 7.684 0.845 25488 1899 1 4 . 1 1 51 51 THR N N 51 116.519 116.519 117.144 -0.625 25488 1900 1 4 . 1 1 51 51 THR H H 51 7.980 7.980 8.454 -0.474 25488 1901 1 4 . 1 1 52 52 GLY N N 52 112.725 112.725 116.576 -3.851 25488 1902 1 4 . 1 1 52 52 GLY H H 52 9.483 9.483 9.815 -0.332 25488 1903 1 4 . 1 1 53 53 MET N N 53 116.735 116.735 120.487 -3.752 25488 1904 1 4 . 1 1 53 53 MET HA H 53 4.044 4.044 4.562 -0.518 25488 1905 1 4 . 1 1 53 53 MET H H 53 7.969 7.969 8.578 -0.609 25488 1906 1 4 . 1 1 54 54 LEU N N 54 122.602 122.602 127.299 -4.697 25488 1907 1 4 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.815 -1.109 25488 1908 1 4 . 1 1 54 54 LEU H H 54 7.926 7.926 8.465 -0.539 25488 1909 1 4 . 1 1 55 55 ASN N N 55 115.755 115.755 119.325 -3.570 25488 1910 1 4 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.996 -0.256 25488 1911 1 4 . 1 1 55 55 ASN H H 55 6.555 6.555 8.223 -1.668 25488 1912 1 4 . 1 1 56 56 SER N N 56 121.450 121.450 119.233 2.217 25488 1913 1 4 . 1 1 56 56 SER HA H 56 4.662 4.662 3.823 0.839 25488 1914 1 4 . 1 1 56 56 SER H H 56 8.205 8.205 8.911 -0.706 25488 1915 1 4 . 1 1 57 57 ARG N N 57 123.219 123.219 122.300 0.919 25488 1916 1 4 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.027 0.179 25488 1917 1 4 . 1 1 57 57 ARG H H 57 7.883 7.883 7.976 -0.093 25488 1918 1 4 . 1 1 58 58 VAL N N 58 118.843 118.843 118.198 0.645 25488 1919 1 4 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.709 -0.409 25488 1920 1 4 . 1 1 58 58 VAL H H 58 7.594 7.594 7.817 -0.223 25488 1921 1 4 . 1 1 59 59 ILE N N 59 119.212 119.212 119.865 -0.653 25488 1922 1 4 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.672 -0.203 25488 1923 1 4 . 1 1 59 59 ILE H H 59 7.326 7.326 7.265 0.061 25488 1924 1 4 . 1 1 60 60 GLU N N 60 119.544 119.544 120.338 -0.794 25488 1925 1 4 . 1 1 60 60 GLU H H 60 7.880 7.880 7.555 0.325 25488 1926 1 4 . 1 1 61 61 ILE N N 61 118.812 118.812 115.326 3.486 25488 1927 1 4 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.276 0.166 25488 1928 1 4 . 1 1 61 61 ILE H H 61 7.217 7.217 7.593 -0.376 25488 1929 1 4 . 1 1 62 62 MET N N 62 120.202 120.202 117.789 2.413 25488 1930 1 4 . 1 1 62 62 MET HA H 62 3.419 3.419 4.167 -0.748 25488 1931 1 4 . 1 1 62 62 MET H H 62 7.820 7.820 7.234 0.586 25488 1932 1 4 . 1 1 63 63 GLN N N 63 116.274 116.274 115.418 0.856 25488 1933 1 4 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.363 -0.122 25488 1934 1 4 . 1 1 63 63 GLN H H 63 7.442 7.442 7.849 -0.407 25488 1935 1 4 . 1 1 64 64 LYS N N 64 121.450 121.450 122.738 -1.288 25488 1936 1 4 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.193 0.306 25488 1937 1 4 . 1 1 64 64 LYS H H 64 7.474 7.474 7.366 0.108 25488 1938 1 4 . 1 1 66 66 ARG N N 66 113.173 113.173 119.964 -6.791 25488 1939 1 4 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.543 -0.104 25488 1940 1 4 . 1 1 66 66 ARG H H 66 8.151 8.151 8.343 -0.192 25488 1941 1 4 . 1 1 67 67 CYS N N 67 121.794 121.794 118.465 3.329 25488 1942 1 4 . 1 1 67 67 CYS HA H 67 4.420 4.420 5.044 -0.624 25488 1943 1 4 . 1 1 67 67 CYS H H 67 7.709 7.709 8.486 -0.777 25488 1944 1 4 . 1 1 68 68 GLY N N 68 116.255 116.255 109.325 6.930 25488 1945 1 4 . 1 1 68 68 GLY H H 68 9.707 9.707 8.437 1.270 25488 1946 1 4 . 1 1 69 69 VAL N N 69 126.541 126.541 114.611 11.930 25488 1947 1 4 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.320 -0.513 25488 1948 1 4 . 1 1 69 69 VAL H H 69 9.118 9.118 6.956 2.162 25488 1949 1 4 . 1 1 71 71 ASP N N 71 119.114 119.114 127.604 -8.490 25488 1950 1 4 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.671 -0.188 25488 1951 1 4 . 1 1 71 71 ASP H H 71 8.067 8.067 8.688 -0.621 25488 1952 1 4 . 1 1 72 72 VAL N N 72 112.988 112.988 118.922 -5.934 25488 1953 1 4 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.143 0.138 25488 1954 1 4 . 1 1 72 72 VAL H H 72 6.438 6.438 7.187 -0.749 25488 1955 1 4 . 1 1 73 73 ALA N N 73 125.902 125.902 125.984 -0.082 25488 1956 1 4 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.335 -0.068 25488 1957 1 4 . 1 1 73 73 ALA H H 73 8.171 8.171 8.417 -0.246 25488 1958 1 4 . 1 1 74 74 GLU N N 74 120.835 120.835 123.492 -2.657 25488 1959 1 4 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.524 -0.441 25488 1960 1 4 . 1 1 74 74 GLU H H 74 8.385 8.385 7.917 0.468 25488 1961 1 4 . 1 1 75 75 TYR N N 75 121.820 121.820 119.671 2.149 25488 1962 1 4 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.401 -0.007 25488 1963 1 4 . 1 1 75 75 TYR H H 75 8.102 8.102 8.780 -0.678 25488 1964 1 4 . 1 1 76 76 SER N N 76 117.881 117.881 115.334 2.547 25488 1965 1 4 . 1 1 76 76 SER H H 76 7.718 7.718 8.457 -0.739 25488 1966 1 4 . 1 1 77 77 LEU N N 77 123.835 123.835 123.132 0.703 25488 1967 1 4 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.682 -0.590 25488 1968 1 4 . 1 1 77 77 LEU H H 77 8.033 8.033 7.703 0.330 25488 1969 1 4 . 1 1 78 78 PHE N N 78 118.893 118.893 120.888 -1.995 25488 1970 1 4 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.016 -0.171 25488 1971 1 4 . 1 1 78 78 PHE H H 78 7.822 7.822 8.056 -0.234 25488 1972 1 4 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.350 -0.019 25488 1973 1 4 . 1 1 80 80 ASN N N 80 118.184 118.184 120.502 -2.318 25488 1974 1 4 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.668 0.012 25488 1975 1 4 . 1 1 80 80 ASN H H 80 8.106 8.106 8.358 -0.252 25488 1976 1 4 . 1 1 81 81 SER HA H 81 4.636 4.636 4.635 0.001 25488 1977 1 4 . 1 1 83 83 LYS N N 83 114.696 114.696 120.666 -5.970 25488 1978 1 4 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.714 -0.491 25488 1979 1 4 . 1 1 83 83 LYS H H 83 7.361 7.361 7.951 -0.590 25488 1980 1 4 . 1 1 84 84 TRP N N 84 122.459 122.459 121.088 1.371 25488 1981 1 4 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.859 -0.856 25488 1982 1 4 . 1 1 84 84 TRP H H 84 8.020 8.020 8.189 -0.169 25488 1983 1 4 . 1 1 85 85 THR N N 85 113.482 113.482 115.385 -1.903 25488 1984 1 4 . 1 1 85 85 THR HA H 85 4.586 4.586 4.279 0.307 25488 1985 1 4 . 1 1 85 85 THR H H 85 8.833 8.833 8.562 0.271 25488 1986 1 4 . 1 1 86 86 SER N N 86 117.316 117.316 114.212 3.104 25488 1987 1 4 . 1 1 86 86 SER HA H 86 4.665 4.665 4.603 0.062 25488 1988 1 4 . 1 1 86 86 SER H H 86 7.724 7.724 7.602 0.122 25488 1989 1 4 . 1 1 87 87 LYS N N 87 120.411 120.411 124.066 -3.655 25488 1990 1 4 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.139 -0.000 25488 1991 1 4 . 1 1 87 87 LYS H H 87 8.312 8.312 8.769 -0.457 25488 1992 1 4 . 1 1 88 88 VAL N N 88 117.674 117.674 120.878 -3.204 25488 1993 1 4 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.549 0.102 25488 1994 1 4 . 1 1 88 88 VAL H H 88 7.425 7.425 7.277 0.148 25488 1995 1 4 . 1 1 89 89 VAL N N 89 131.493 131.493 127.803 3.690 25488 1996 1 4 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.432 -0.291 25488 1997 1 4 . 1 1 89 89 VAL H H 89 8.574 8.574 8.719 -0.145 25488 1998 1 4 . 1 1 90 90 THR N N 90 118.245 118.245 117.621 0.624 25488 1999 1 4 . 1 1 90 90 THR HA H 90 5.627 5.627 5.679 -0.052 25488 2000 1 4 . 1 1 90 90 THR H H 90 9.021 9.021 9.526 -0.505 25488 2001 1 4 . 1 1 91 91 TYR N N 91 118.267 118.267 118.126 0.141 25488 2002 1 4 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.759 -0.085 25488 2003 1 4 . 1 1 91 91 TYR H H 91 8.555 8.555 8.663 -0.108 25488 2004 1 4 . 1 1 92 92 ARG N N 92 120.260 120.260 120.385 -0.125 25488 2005 1 4 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.926 -0.280 25488 2006 1 4 . 1 1 92 92 ARG H H 92 8.513 8.513 8.335 0.178 25488 2007 1 4 . 1 1 93 93 ILE N N 93 128.361 128.361 125.529 2.832 25488 2008 1 4 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.768 -0.149 25488 2009 1 4 . 1 1 93 93 ILE H H 93 8.878 8.878 8.947 -0.069 25488 2010 1 4 . 1 1 94 94 VAL N N 94 126.374 126.374 128.004 -1.630 25488 2011 1 4 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.242 -0.242 25488 2012 1 4 . 1 1 94 94 VAL H H 94 9.492 9.492 9.095 0.397 25488 2013 1 4 . 1 1 95 95 SER N N 95 113.303 113.303 114.928 -1.625 25488 2014 1 4 . 1 1 95 95 SER HA H 95 4.705 4.705 4.796 -0.091 25488 2015 1 4 . 1 1 95 95 SER H H 95 7.431 7.431 7.722 -0.291 25488 2016 1 4 . 1 1 96 96 TYR N N 96 117.054 117.054 117.729 -0.675 25488 2017 1 4 . 1 1 96 96 TYR H H 96 8.255 8.255 7.852 0.403 25488 2018 1 4 . 1 1 98 98 ARG N N 98 128.445 128.445 122.715 5.730 25488 2019 1 4 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.131 0.207 25488 2020 1 4 . 1 1 98 98 ARG H H 98 8.964 8.964 8.988 -0.024 25488 2021 1 4 . 1 1 99 99 ASP N N 99 120.412 120.412 118.461 1.951 25488 2022 1 4 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.568 -0.233 25488 2023 1 4 . 1 1 99 99 ASP H H 99 8.695 8.695 8.433 0.262 25488 2024 1 4 . 1 1 100 100 LEU N N 100 116.851 116.851 120.010 -3.159 25488 2025 1 4 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.785 0.148 25488 2026 1 4 . 1 1 100 100 LEU H H 100 6.902 6.902 7.303 -0.401 25488 2027 1 4 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.202 0.965 25488 2028 1 4 . 1 1 103 103 ILE N N 103 115.469 115.469 114.810 0.659 25488 2029 1 4 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.719 0.454 25488 2030 1 4 . 1 1 103 103 ILE H H 103 8.296 8.296 7.884 0.412 25488 2031 1 4 . 1 1 104 104 THR N N 104 119.413 119.413 112.757 6.656 25488 2032 1 4 . 1 1 104 104 THR HA H 104 4.019 4.019 3.832 0.187 25488 2033 1 4 . 1 1 104 104 THR H H 104 6.915 6.915 7.828 -0.913 25488 2034 1 4 . 1 1 105 105 VAL N N 105 123.232 123.232 118.393 4.839 25488 2035 1 4 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.513 -0.099 25488 2036 1 4 . 1 1 105 105 VAL H H 105 7.379 7.379 7.434 -0.055 25488 2037 1 4 . 1 1 106 106 ASP N N 106 120.160 120.160 120.497 -0.337 25488 2038 1 4 . 1 1 106 106 ASP H H 106 8.615 8.615 7.505 1.110 25488 2039 1 4 . 1 1 107 107 ARG N N 107 121.041 121.041 118.049 2.992 25488 2040 1 4 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.139 -0.049 25488 2041 1 4 . 1 1 107 107 ARG H H 107 8.372 8.372 8.110 0.262 25488 2042 1 4 . 1 1 108 108 LEU N N 108 121.644 121.644 119.540 2.104 25488 2043 1 4 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.198 0.055 25488 2044 1 4 . 1 1 108 108 LEU H H 108 8.768 8.768 7.774 0.994 25488 2045 1 4 . 1 1 109 109 VAL N N 109 120.347 120.347 114.756 5.591 25488 2046 1 4 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.715 -0.344 25488 2047 1 4 . 1 1 109 109 VAL H H 109 8.762 8.762 8.501 0.261 25488 2048 1 4 . 1 1 110 110 SER N N 110 112.949 112.949 119.012 -6.063 25488 2049 1 4 . 1 1 110 110 SER HA H 110 4.270 4.270 4.118 0.152 25488 2050 1 4 . 1 1 110 110 SER H H 110 7.605 7.605 7.813 -0.208 25488 2051 1 4 . 1 1 111 111 LYS N N 111 122.434 122.434 121.080 1.354 25488 2052 1 4 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.012 0.030 25488 2053 1 4 . 1 1 111 111 LYS H H 111 8.146 8.146 7.697 0.449 25488 2054 1 4 . 1 1 112 112 ALA N N 112 124.099 124.099 121.319 2.780 25488 2055 1 4 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.034 0.043 25488 2056 1 4 . 1 1 112 112 ALA H H 112 8.270 8.270 7.323 0.947 25488 2057 1 4 . 1 1 113 113 LEU N N 113 116.251 116.251 117.719 -1.468 25488 2058 1 4 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.764 -0.042 25488 2059 1 4 . 1 1 113 113 LEU H H 113 8.019 8.019 8.141 -0.122 25488 2060 1 4 . 1 1 114 114 ASN N N 114 116.659 116.659 116.430 0.229 25488 2061 1 4 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.533 -0.004 25488 2062 1 4 . 1 1 114 114 ASN H H 114 8.197 8.197 8.589 -0.392 25488 2063 1 4 . 1 1 115 115 MET N N 115 122.118 122.118 120.073 2.045 25488 2064 1 4 . 1 1 115 115 MET HA H 115 4.013 4.013 4.086 -0.073 25488 2065 1 4 . 1 1 115 115 MET H H 115 7.918 7.918 7.249 0.669 25488 2066 1 4 . 1 1 116 116 TRP N N 116 117.117 117.117 117.058 0.059 25488 2067 1 4 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.684 -0.174 25488 2068 1 4 . 1 1 116 116 TRP H H 116 6.773 6.773 7.816 -1.043 25488 2069 1 4 . 1 1 117 117 GLY N N 117 104.656 104.656 106.877 -2.221 25488 2070 1 4 . 1 1 117 117 GLY H H 117 9.305 9.305 8.584 0.721 25488 2071 1 4 . 1 1 118 118 LYS N N 118 118.567 118.567 119.287 -0.720 25488 2072 1 4 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.369 -0.192 25488 2073 1 4 . 1 1 118 118 LYS H H 118 7.947 7.947 7.638 0.309 25488 2074 1 4 . 1 1 119 119 GLU N N 119 113.899 113.899 118.868 -4.969 25488 2075 1 4 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.433 0.375 25488 2076 1 4 . 1 1 119 119 GLU H H 119 7.773 7.773 7.701 0.072 25488 2077 1 4 . 1 1 120 120 ILE N N 120 111.215 111.215 119.479 -8.264 25488 2078 1 4 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.913 0.408 25488 2079 1 4 . 1 1 120 120 ILE H H 120 7.528 7.528 8.541 -1.013 25488 2080 1 4 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.530 0.091 25488 2081 1 4 . 1 1 122 122 LEU N N 122 121.481 121.481 121.154 0.327 25488 2082 1 4 . 1 1 122 122 LEU HA H 122 4.292 4.292 3.980 0.312 25488 2083 1 4 . 1 1 122 122 LEU H H 122 6.815 6.815 7.708 -0.893 25488 2084 1 4 . 1 1 123 123 HIS N N 123 120.769 120.769 124.032 -3.263 25488 2085 1 4 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.663 -0.071 25488 2086 1 4 . 1 1 123 123 HIS H H 123 7.709 7.709 8.771 -1.062 25488 2087 1 4 . 1 1 124 124 PHE N N 124 120.530 120.530 121.905 -1.375 25488 2088 1 4 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.587 0.225 25488 2089 1 4 . 1 1 124 124 PHE H H 124 8.306 8.306 8.828 -0.522 25488 2090 1 4 . 1 1 125 125 ARG N N 125 123.891 123.891 125.136 -1.245 25488 2091 1 4 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.828 -0.175 25488 2092 1 4 . 1 1 125 125 ARG H H 125 8.408 8.408 8.497 -0.089 25488 2093 1 4 . 1 1 126 126 LYS N N 126 130.178 130.178 124.547 5.631 25488 2094 1 4 . 1 1 126 126 LYS HA H 126 3.361 3.361 4.109 -0.748 25488 2095 1 4 . 1 1 126 126 LYS H H 126 8.468 8.468 8.358 0.110 25488 2096 1 4 . 1 1 127 127 VAL N N 127 125.180 125.180 124.039 1.141 25488 2097 1 4 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.178 0.330 25488 2098 1 4 . 1 1 127 127 VAL H H 127 8.679 8.679 8.663 0.016 25488 2099 1 4 . 1 1 128 128 VAL N N 128 117.584 117.584 117.873 -0.289 25488 2100 1 4 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.239 0.047 25488 2101 1 4 . 1 1 128 128 VAL H H 128 8.469 8.469 8.326 0.143 25488 2102 1 4 . 1 1 129 129 TRP N N 129 119.805 119.805 119.186 0.619 25488 2103 1 4 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.810 -0.124 25488 2104 1 4 . 1 1 129 129 TRP H H 129 7.447 7.447 7.730 -0.283 25488 2105 1 4 . 1 1 130 130 GLY N N 130 109.844 109.844 111.224 -1.380 25488 2106 1 4 . 1 1 130 130 GLY H H 130 8.072 8.072 8.270 -0.198 25488 2107 1 4 . 1 1 131 131 THR N N 131 116.125 116.125 109.611 6.514 25488 2108 1 4 . 1 1 131 131 THR HA H 131 4.123 4.123 4.299 -0.176 25488 2109 1 4 . 1 1 131 131 THR H H 131 8.196 8.196 8.461 -0.265 25488 2110 1 4 . 1 1 132 132 ALA N N 132 129.613 129.613 124.490 5.123 25488 2111 1 4 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.529 -0.018 25488 2112 1 4 . 1 1 132 132 ALA H H 132 7.919 7.919 8.062 -0.143 25488 2113 1 4 . 1 1 133 133 ASP N N 133 123.004 123.004 119.239 3.765 25488 2114 1 4 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.645 -0.203 25488 2115 1 4 . 1 1 133 133 ASP H H 133 8.248 8.248 8.209 0.039 25488 2116 1 4 . 1 1 134 134 ILE N N 134 125.478 125.478 120.840 4.638 25488 2117 1 4 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.499 -0.406 25488 2118 1 4 . 1 1 134 134 ILE H H 134 8.804 8.804 7.888 0.916 25488 2119 1 4 . 1 1 135 135 MET N N 135 127.471 127.471 126.825 0.646 25488 2120 1 4 . 1 1 135 135 MET HA H 135 5.194 5.194 5.003 0.191 25488 2121 1 4 . 1 1 135 135 MET H H 135 7.437 7.437 9.397 -1.960 25488 2122 1 4 . 1 1 136 136 ILE N N 136 125.040 125.040 124.971 0.069 25488 2123 1 4 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.637 0.940 25488 2124 1 4 . 1 1 136 136 ILE H H 136 9.085 9.085 9.367 -0.282 25488 2125 1 4 . 1 1 137 137 GLY N N 137 112.059 112.059 113.680 -1.621 25488 2126 1 4 . 1 1 137 137 GLY H H 137 8.568 8.568 8.567 0.001 25488 2127 1 4 . 1 1 138 138 PHE N N 138 119.447 119.447 120.668 -1.221 25488 2128 1 4 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.475 -0.021 25488 2129 1 4 . 1 1 138 138 PHE H H 138 7.861 7.861 8.406 -0.545 25488 2130 1 4 . 1 1 139 139 ALA N N 139 123.657 123.657 126.789 -3.132 25488 2131 1 4 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.823 -0.088 25488 2132 1 4 . 1 1 139 139 ALA H H 139 8.939 8.939 9.100 -0.161 25488 2133 1 4 . 1 1 140 140 ARG N N 140 118.688 118.688 119.893 -1.205 25488 2134 1 4 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.692 0.382 25488 2135 1 4 . 1 1 140 140 ARG H H 140 8.563 8.563 8.649 -0.086 25488 2136 1 4 . 1 1 141 141 GLY N N 141 108.964 108.964 110.509 -1.545 25488 2137 1 4 . 1 1 141 141 GLY H H 141 9.018 9.018 9.338 -0.320 25488 2138 1 4 . 1 1 143 143 HIS N N 143 120.218 120.218 114.662 5.556 25488 2139 1 4 . 1 1 143 143 HIS H H 143 8.998 8.998 7.859 1.139 25488 2140 1 4 . 1 1 145 145 ASP N N 145 117.684 117.684 122.053 -4.369 25488 2141 1 4 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.880 -0.180 25488 2142 1 4 . 1 1 145 145 ASP H H 145 7.088 7.088 7.952 -0.864 25488 2143 1 4 . 1 1 146 146 SER HA H 146 4.140 4.140 4.202 -0.062 25488 2144 1 4 . 1 1 146 146 SER H H 146 8.220 8.220 8.364 -0.144 25488 2145 1 4 . 1 1 147 147 TYR N N 147 120.867 120.867 117.515 3.352 25488 2146 1 4 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.262 0.526 25488 2147 1 4 . 1 1 147 147 TYR H H 147 7.459 7.459 8.090 -0.631 25488 2148 1 4 . 1 1 149 149 PHE N N 149 120.630 120.630 120.628 0.002 25488 2149 1 4 . 1 1 149 149 PHE H H 149 8.018 8.018 8.467 -0.449 25488 2150 1 4 . 1 1 150 150 ASP N N 150 115.626 115.626 118.270 -2.644 25488 2151 1 4 . 1 1 150 150 ASP HA H 150 4.843 4.843 3.935 0.908 25488 2152 1 4 . 1 1 150 150 ASP H H 150 7.543 7.543 7.487 0.056 25488 2153 1 4 . 1 1 151 151 GLY N N 151 110.700 110.700 111.299 -0.599 25488 2154 1 4 . 1 1 151 151 GLY H H 151 9.074 9.074 7.977 1.097 25488 2155 1 4 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.302 -0.276 25488 2156 1 4 . 1 1 153 153 GLY N N 153 118.786 118.786 110.383 8.403 25488 2157 1 4 . 1 1 153 153 GLY H H 153 11.385 11.385 8.467 2.918 25488 2158 1 4 . 1 1 154 154 ASN N N 154 120.613 120.613 117.715 2.898 25488 2159 1 4 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.369 -0.171 25488 2160 1 4 . 1 1 154 154 ASN H H 154 9.225 9.225 8.383 0.842 25488 2161 1 4 . 1 1 155 155 THR N N 155 118.700 118.700 115.898 2.802 25488 2162 1 4 . 1 1 155 155 THR HA H 155 5.542 5.542 4.376 1.166 25488 2163 1 4 . 1 1 155 155 THR H H 155 9.519 9.519 8.324 1.195 25488 2164 1 4 . 1 1 156 156 LEU N N 156 122.765 122.765 117.882 4.883 25488 2165 1 4 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.228 -0.286 25488 2166 1 4 . 1 1 156 156 LEU H H 156 8.500 8.500 8.243 0.257 25488 2167 1 4 . 1 1 157 157 ALA N N 157 115.545 115.545 119.744 -4.199 25488 2168 1 4 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.271 -0.264 25488 2169 1 4 . 1 1 157 157 ALA H H 157 7.545 7.545 7.427 0.118 25488 2170 1 4 . 1 1 158 158 HIS N N 158 111.868 111.868 115.148 -3.280 25488 2171 1 4 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.758 -0.141 25488 2172 1 4 . 1 1 158 158 HIS H H 158 8.774 8.774 8.329 0.445 25488 2173 1 4 . 1 1 159 159 ALA N N 159 118.565 118.565 122.155 -3.590 25488 2174 1 4 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.463 0.194 25488 2175 1 4 . 1 1 159 159 ALA H H 159 6.114 6.114 8.075 -1.961 25488 2176 1 4 . 1 1 160 160 PHE N N 160 118.042 118.042 120.477 -2.435 25488 2177 1 4 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.904 -0.423 25488 2178 1 4 . 1 1 160 160 PHE H H 160 7.897 7.897 8.691 -0.794 25488 2179 1 4 . 1 1 161 161 ALA N N 161 123.548 123.548 124.683 -1.135 25488 2180 1 4 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.715 -0.232 25488 2181 1 4 . 1 1 161 161 ALA H H 161 8.089 8.089 8.593 -0.504 25488 2182 1 4 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.582 -0.711 25488 2183 1 4 . 1 1 163 163 GLY N N 163 107.255 107.255 110.895 -3.640 25488 2184 1 4 . 1 1 163 163 GLY H H 163 5.992 5.992 7.156 -1.164 25488 2185 1 4 . 1 1 165 165 GLY H H 165 9.149 9.149 8.585 0.564 25488 2186 1 4 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.296 -0.143 25488 2187 1 4 . 1 1 167 167 GLY N N 167 103.338 103.338 104.108 -0.770 25488 2188 1 4 . 1 1 167 167 GLY H H 167 7.774 7.774 7.357 0.417 25488 2189 1 4 . 1 1 168 168 GLY N N 168 121.031 121.031 109.013 12.018 25488 2190 1 4 . 1 1 168 168 GLY H H 168 7.685 7.685 7.960 -0.275 25488 2191 1 4 . 1 1 169 169 ASP N N 169 123.703 123.703 123.487 0.216 25488 2192 1 4 . 1 1 169 169 ASP H H 169 8.578 8.578 7.941 0.637 25488 2193 1 4 . 1 1 170 170 ALA N N 170 119.569 119.569 121.724 -2.155 25488 2194 1 4 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.503 0.201 25488 2195 1 4 . 1 1 170 170 ALA H H 170 8.371 8.371 8.343 0.028 25488 2196 1 4 . 1 1 171 171 HIS N N 171 120.286 120.286 118.766 1.520 25488 2197 1 4 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.204 0.526 25488 2198 1 4 . 1 1 171 171 HIS H H 171 8.513 8.513 8.451 0.062 25488 2199 1 4 . 1 1 172 172 PHE N N 172 120.919 120.919 122.304 -1.385 25488 2200 1 4 . 1 1 172 172 PHE H H 172 8.457 8.457 8.839 -0.382 25488 2201 1 4 . 1 1 173 173 ASP N N 173 123.993 123.993 121.736 2.257 25488 2202 1 4 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.228 -1.332 25488 2203 1 4 . 1 1 173 173 ASP H H 173 7.915 7.915 9.037 -1.122 25488 2204 1 4 . 1 1 174 174 GLU N N 174 132.684 132.684 127.109 5.575 25488 2205 1 4 . 1 1 174 174 GLU H H 174 9.461 9.461 9.113 0.348 25488 2206 1 4 . 1 1 175 175 ASP N N 175 117.313 117.313 118.467 -1.154 25488 2207 1 4 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.862 -0.065 25488 2208 1 4 . 1 1 175 175 ASP H H 175 8.756 8.756 8.104 0.652 25488 2209 1 4 . 1 1 176 176 GLU N N 176 116.511 116.511 119.501 -2.990 25488 2210 1 4 . 1 1 176 176 GLU H H 176 7.154 7.154 7.503 -0.349 25488 2211 1 4 . 1 1 177 177 ARG N N 177 121.920 121.920 124.617 -2.697 25488 2212 1 4 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.525 0.100 25488 2213 1 4 . 1 1 177 177 ARG H H 177 7.555 7.555 8.443 -0.888 25488 2214 1 4 . 1 1 178 178 TRP N N 178 129.182 129.182 126.242 2.940 25488 2215 1 4 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.427 -0.314 25488 2216 1 4 . 1 1 178 178 TRP H H 178 8.788 8.788 8.865 -0.077 25488 2217 1 4 . 1 1 179 179 THR N N 179 112.874 112.874 114.092 -1.218 25488 2218 1 4 . 1 1 179 179 THR HA H 179 5.015 5.015 4.782 0.233 25488 2219 1 4 . 1 1 179 179 THR H H 179 8.946 8.946 8.582 0.364 25488 2220 1 4 . 1 1 180 180 ASP N N 180 121.969 121.969 124.971 -3.002 25488 2221 1 4 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.783 -0.361 25488 2222 1 4 . 1 1 180 180 ASP H H 180 8.478 8.478 8.585 -0.107 25488 2223 1 4 . 1 1 181 181 GLY N N 181 110.059 110.059 107.890 2.169 25488 2224 1 4 . 1 1 181 181 GLY H H 181 8.572 8.572 8.226 0.346 25488 2225 1 4 . 1 1 182 182 SER N N 182 115.564 115.564 116.809 -1.245 25488 2226 1 4 . 1 1 182 182 SER HA H 182 4.599 4.599 4.698 -0.099 25488 2227 1 4 . 1 1 182 182 SER H H 182 8.173 8.173 8.161 0.012 25488 2228 1 4 . 1 1 183 183 SER N N 183 117.066 117.066 114.651 2.415 25488 2229 1 4 . 1 1 183 183 SER H H 183 7.819 7.819 8.205 -0.386 25488 2230 1 4 . 1 1 184 184 LEU N N 184 121.954 121.954 120.071 1.883 25488 2231 1 4 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.416 -0.054 25488 2232 1 4 . 1 1 184 184 LEU H H 184 8.104 8.104 8.034 0.070 25488 2233 1 4 . 1 1 185 185 GLY N N 185 108.989 108.989 106.096 2.893 25488 2234 1 4 . 1 1 185 185 GLY H H 185 7.954 7.954 7.530 0.424 25488 2235 1 4 . 1 1 186 186 ILE N N 186 123.084 123.084 120.554 2.530 25488 2236 1 4 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.137 -0.358 25488 2237 1 4 . 1 1 186 186 ILE H H 186 8.878 8.878 8.276 0.602 25488 2238 1 4 . 1 1 187 187 ASN N N 187 126.999 126.999 126.087 0.912 25488 2239 1 4 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.687 -0.291 25488 2240 1 4 . 1 1 187 187 ASN H H 187 8.575 8.575 8.692 -0.117 25488 2241 1 4 . 1 1 188 188 PHE N N 188 129.819 129.819 128.046 1.773 25488 2242 1 4 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.525 0.066 25488 2243 1 4 . 1 1 188 188 PHE H H 188 9.365 9.365 8.255 1.110 25488 2244 1 4 . 1 1 189 189 LEU N N 189 119.292 119.292 121.213 -1.921 25488 2245 1 4 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.853 -0.020 25488 2246 1 4 . 1 1 189 189 LEU H H 189 8.551 8.551 8.054 0.497 25488 2247 1 4 . 1 1 191 191 ALA N N 191 120.347 120.347 123.255 -2.908 25488 2248 1 4 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.088 0.209 25488 2249 1 4 . 1 1 191 191 ALA H H 191 7.973 7.973 7.777 0.196 25488 2250 1 4 . 1 1 192 192 ALA N N 192 121.365 121.365 120.397 0.968 25488 2251 1 4 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.086 -0.069 25488 2252 1 4 . 1 1 192 192 ALA H H 192 9.258 9.258 8.325 0.933 25488 2253 1 4 . 1 1 193 193 THR N N 193 117.027 117.027 114.853 2.174 25488 2254 1 4 . 1 1 193 193 THR HA H 193 3.825 3.825 4.060 -0.235 25488 2255 1 4 . 1 1 193 193 THR H H 193 8.209 8.209 7.701 0.508 25488 2256 1 4 . 1 1 194 194 HIS N N 194 120.231 120.231 120.872 -0.641 25488 2257 1 4 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.331 -0.098 25488 2258 1 4 . 1 1 194 194 HIS H H 194 7.805 7.805 7.778 0.027 25488 2259 1 4 . 1 1 195 195 ALA N N 195 121.346 121.346 120.408 0.938 25488 2260 1 4 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.049 0.131 25488 2261 1 4 . 1 1 195 195 ALA H H 195 8.693 8.693 7.843 0.850 25488 2262 1 4 . 1 1 196 196 LEU N N 196 114.951 114.951 114.965 -0.014 25488 2263 1 4 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.500 -0.342 25488 2264 1 4 . 1 1 196 196 LEU H H 196 8.714 8.714 7.695 1.019 25488 2265 1 4 . 1 1 197 197 GLY N N 197 107.954 107.954 106.860 1.094 25488 2266 1 4 . 1 1 197 197 GLY H H 197 7.540 7.540 7.466 0.074 25488 2267 1 4 . 1 1 198 198 HIS N N 198 121.996 121.996 119.722 2.274 25488 2268 1 4 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.535 0.274 25488 2269 1 4 . 1 1 198 198 HIS H H 198 7.205 7.205 7.354 -0.149 25488 2270 1 4 . 1 1 199 199 SER N N 199 118.570 118.570 114.702 3.868 25488 2271 1 4 . 1 1 199 199 SER HA H 199 4.448 4.448 4.637 -0.189 25488 2272 1 4 . 1 1 199 199 SER H H 199 7.886 7.886 8.109 -0.223 25488 2273 1 4 . 1 1 200 200 LEU N N 200 114.779 114.779 118.027 -3.248 25488 2274 1 4 . 1 1 200 200 LEU H H 200 7.106 7.106 7.131 -0.025 25488 2275 1 4 . 1 1 201 201 GLY N N 201 108.350 108.350 106.012 2.338 25488 2276 1 4 . 1 1 201 201 GLY H H 201 8.213 8.213 7.452 0.761 25488 2277 1 4 . 1 1 202 202 MET N N 202 119.623 119.623 120.375 -0.752 25488 2278 1 4 . 1 1 202 202 MET HA H 202 4.484 4.484 4.517 -0.033 25488 2279 1 4 . 1 1 202 202 MET H H 202 8.189 8.189 7.630 0.559 25488 2280 1 4 . 1 1 203 203 GLY N N 203 109.770 109.770 108.930 0.840 25488 2281 1 4 . 1 1 203 203 GLY H H 203 8.413 8.413 8.300 0.113 25488 2282 1 4 . 1 1 204 204 HIS N N 204 115.793 115.793 117.864 -2.071 25488 2283 1 4 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.811 0.563 25488 2284 1 4 . 1 1 204 204 HIS H H 204 8.383 8.383 8.387 -0.004 25488 2285 1 4 . 1 1 205 205 SER N N 205 115.497 115.497 113.840 1.657 25488 2286 1 4 . 1 1 205 205 SER HA H 205 4.721 4.721 4.815 -0.094 25488 2287 1 4 . 1 1 205 205 SER H H 205 7.223 7.223 8.753 -1.530 25488 2288 1 4 . 1 1 206 206 SER N N 206 119.268 119.268 118.058 1.210 25488 2289 1 4 . 1 1 206 206 SER HA H 206 3.721 3.721 4.567 -0.846 25488 2290 1 4 . 1 1 206 206 SER H H 206 8.290 8.290 8.683 -0.393 25488 2291 1 4 . 1 1 207 207 ASP N N 207 126.656 126.656 123.171 3.485 25488 2292 1 4 . 1 1 207 207 ASP H H 207 8.541 8.541 7.882 0.659 25488 2293 1 4 . 1 1 209 209 ASN N N 209 115.911 115.911 116.701 -0.790 25488 2294 1 4 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.370 0.246 25488 2295 1 4 . 1 1 209 209 ASN H H 209 8.374 8.374 8.016 0.358 25488 2296 1 4 . 1 1 210 210 ALA N N 210 124.929 124.929 122.006 2.923 25488 2297 1 4 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.272 -0.118 25488 2298 1 4 . 1 1 210 210 ALA H H 210 8.182 8.182 7.252 0.930 25488 2299 1 4 . 1 1 211 211 VAL N N 211 130.383 130.383 121.207 9.176 25488 2300 1 4 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.707 0.543 25488 2301 1 4 . 1 1 211 211 VAL H H 211 11.554 11.554 8.671 2.883 25488 2302 1 4 . 1 1 212 212 MET N N 212 113.319 113.319 116.028 -2.709 25488 2303 1 4 . 1 1 212 212 MET H H 212 7.741 7.741 7.800 -0.059 25488 2304 1 4 . 1 1 213 213 TYR N N 213 130.006 130.006 123.032 6.974 25488 2305 1 4 . 1 1 213 213 TYR H H 213 7.899 7.899 7.325 0.574 25488 2306 1 4 . 1 1 215 215 THR N N 215 104.747 104.747 106.702 -1.955 25488 2307 1 4 . 1 1 215 215 THR HA H 215 4.404 4.404 4.255 0.149 25488 2308 1 4 . 1 1 215 215 THR H H 215 6.402 6.402 7.803 -1.401 25488 2309 1 4 . 1 1 216 216 TYR N N 216 124.699 124.699 122.801 1.898 25488 2310 1 4 . 1 1 216 216 TYR H H 216 8.341 8.341 7.756 0.585 25488 2311 1 4 . 1 1 217 217 GLY N N 217 116.288 116.288 111.326 4.962 25488 2312 1 4 . 1 1 217 217 GLY H H 217 7.685 7.685 8.075 -0.390 25488 2313 1 4 . 1 1 218 218 ASN N N 218 119.920 119.920 115.749 4.171 25488 2314 1 4 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.839 -0.219 25488 2315 1 4 . 1 1 218 218 ASN H H 218 8.221 8.221 8.560 -0.339 25488 2316 1 4 . 1 1 219 219 GLY N N 219 109.601 109.601 106.779 2.822 25488 2317 1 4 . 1 1 219 219 GLY H H 219 8.072 8.072 7.998 0.074 25488 2318 1 4 . 1 1 220 220 ASP N N 220 123.006 123.006 119.758 3.248 25488 2319 1 4 . 1 1 220 220 ASP H H 220 8.280 8.280 8.052 0.228 25488 2320 1 4 . 1 1 222 222 GLN N N 222 116.642 116.642 116.965 -0.323 25488 2321 1 4 . 1 1 222 222 GLN H H 222 8.215 8.215 8.223 -0.009 25488 2322 1 4 . 1 1 223 223 ASN N N 223 118.361 118.361 118.149 0.212 25488 2323 1 4 . 1 1 223 223 ASN H H 223 7.970 7.970 7.979 -0.009 25488 2324 1 4 . 1 1 225 225 LYS N N 225 122.215 122.215 125.863 -3.648 25488 2325 1 4 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.365 0.051 25488 2326 1 4 . 1 1 225 225 LYS H H 225 7.656 7.656 7.639 0.017 25488 2327 1 4 . 1 1 226 226 LEU N N 226 119.165 119.165 120.793 -1.628 25488 2328 1 4 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.555 -0.467 25488 2329 1 4 . 1 1 226 226 LEU H H 226 7.984 7.984 8.294 -0.310 25488 2330 1 4 . 1 1 227 227 SER N N 227 120.520 120.520 115.373 5.147 25488 2331 1 4 . 1 1 227 227 SER HA H 227 4.676 4.676 4.345 0.331 25488 2332 1 4 . 1 1 227 227 SER H H 227 9.646 9.646 8.513 1.133 25488 2333 1 4 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.287 0.387 25488 2334 1 4 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.479 -0.105 25488 2335 1 4 . 1 1 229 229 ASP H H 229 8.113 8.113 8.091 0.022 25488 2336 1 4 . 1 1 230 230 ASP N N 230 119.878 119.878 119.405 0.473 25488 2337 1 4 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.444 -0.106 25488 2338 1 4 . 1 1 230 230 ASP H H 230 7.397 7.397 7.762 -0.365 25488 2339 1 4 . 1 1 231 231 ILE N N 231 120.389 120.389 118.875 1.514 25488 2340 1 4 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.895 -0.240 25488 2341 1 4 . 1 1 231 231 ILE H H 231 8.100 8.100 7.712 0.388 25488 2342 1 4 . 1 1 232 232 LYS N N 232 119.084 119.084 120.722 -1.638 25488 2343 1 4 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.149 -0.054 25488 2344 1 4 . 1 1 232 232 LYS H H 232 8.581 8.581 7.536 1.045 25488 2345 1 4 . 1 1 233 233 GLY N N 233 106.424 106.424 108.517 -2.093 25488 2346 1 4 . 1 1 233 233 GLY H H 233 8.061 8.061 7.680 0.381 25488 2347 1 4 . 1 1 234 234 ILE N N 234 125.166 125.166 120.358 4.808 25488 2348 1 4 . 1 1 234 234 ILE H H 234 8.517 8.517 7.627 0.890 25488 2349 1 4 . 1 1 235 235 GLN N N 235 122.969 122.969 119.812 3.157 25488 2350 1 4 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.045 0.336 25488 2351 1 4 . 1 1 235 235 GLN H H 235 8.291 8.291 8.295 -0.004 25488 2352 1 4 . 1 1 236 236 LYS N N 236 123.770 123.770 116.399 7.371 25488 2353 1 4 . 1 1 236 236 LYS H H 236 8.035 8.035 7.838 0.197 25488 2354 1 4 . 1 1 237 237 LEU N N 237 116.854 116.854 118.958 -2.104 25488 2355 1 4 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.299 -0.340 25488 2356 1 4 . 1 1 237 237 LEU H H 237 6.886 6.886 7.368 -0.482 25488 2357 1 4 . 1 1 238 238 TYR N N 238 112.132 112.132 116.261 -4.129 25488 2358 1 4 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.628 -0.002 25488 2359 1 4 . 1 1 238 238 TYR H H 238 7.459 7.459 8.207 -0.749 25488 2360 1 4 . 1 1 239 239 GLY N N 239 110.898 110.898 106.570 4.328 25488 2361 1 4 . 1 1 239 239 GLY H H 239 8.442 8.442 7.476 0.966 25488 2362 1 4 . 1 1 240 240 LYS N N 240 114.400 114.400 120.257 -5.857 25488 2363 1 4 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.507 0.297 25488 2364 1 4 . 1 1 240 240 LYS H H 240 7.865 7.865 8.403 -0.538 25488 2365 1 4 . 1 1 241 241 ARG N N 241 123.851 123.851 123.684 0.167 25488 2366 1 4 . 1 1 241 241 ARG H H 241 7.760 7.760 8.360 -0.600 25488 2367 1 4 . 1 1 242 242 SER N N 242 135.647 135.647 115.415 20.232 25488 2368 1 4 . 1 1 242 242 SER H H 242 9.158 9.158 8.559 0.599 25488 2369 1 5 . 1 1 3 3 GLU N N 3 121.690 121.690 121.479 0.211 25488 2370 1 5 . 1 1 3 3 GLU H H 3 8.332 8.332 8.576 -0.244 25488 2371 1 5 . 1 1 4 4 ALA N N 4 124.526 124.526 121.177 3.349 25488 2372 1 5 . 1 1 4 4 ALA H H 4 8.111 8.111 8.169 -0.058 25488 2373 1 5 . 1 1 5 5 GLY N N 5 108.229 108.229 103.838 4.391 25488 2374 1 5 . 1 1 5 5 GLY H H 5 8.286 8.286 7.844 0.442 25488 2375 1 5 . 1 1 6 6 GLY N N 6 108.867 108.867 108.486 0.381 25488 2376 1 5 . 1 1 6 6 GLY H H 6 8.239 8.239 7.649 0.590 25488 2377 1 5 . 1 1 7 7 MET N N 7 119.984 119.984 121.179 -1.195 25488 2378 1 5 . 1 1 7 7 MET H H 7 8.044 8.044 7.349 0.695 25488 2379 1 5 . 1 1 8 8 SER N N 8 118.771 118.771 118.698 0.073 25488 2380 1 5 . 1 1 8 8 SER HA H 8 4.239 4.239 4.557 -0.318 25488 2381 1 5 . 1 1 8 8 SER H H 8 8.738 8.738 8.556 0.182 25488 2382 1 5 . 1 1 9 9 GLU N N 9 122.551 122.551 123.816 -1.265 25488 2383 1 5 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.166 0.086 25488 2384 1 5 . 1 1 9 9 GLU H H 9 8.919 8.919 9.145 -0.226 25488 2385 1 5 . 1 1 10 10 LEU N N 10 120.638 120.638 118.633 2.005 25488 2386 1 5 . 1 1 10 10 LEU H H 10 8.017 8.017 7.840 0.177 25488 2387 1 5 . 1 1 11 11 GLN N N 11 119.889 119.889 117.759 2.130 25488 2388 1 5 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.013 0.121 25488 2389 1 5 . 1 1 11 11 GLN H H 11 7.807 7.807 7.956 -0.149 25488 2390 1 5 . 1 1 12 12 TRP N N 12 120.951 120.951 121.207 -0.256 25488 2391 1 5 . 1 1 12 12 TRP H H 12 8.202 8.202 8.075 0.127 25488 2392 1 5 . 1 1 13 13 GLU N N 13 121.870 121.870 118.435 3.435 25488 2393 1 5 . 1 1 13 13 GLU H H 13 8.436 8.436 7.937 0.499 25488 2394 1 5 . 1 1 14 14 GLN N N 14 120.646 120.646 118.277 2.369 25488 2395 1 5 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.197 -0.028 25488 2396 1 5 . 1 1 14 14 GLN H H 14 8.159 8.159 7.630 0.529 25488 2397 1 5 . 1 1 15 15 ALA N N 15 123.216 123.216 123.919 -0.703 25488 2398 1 5 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.268 0.070 25488 2399 1 5 . 1 1 15 15 ALA H H 15 8.355 8.355 8.049 0.306 25488 2400 1 5 . 1 1 16 16 GLN N N 16 117.766 117.766 116.373 1.393 25488 2401 1 5 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.985 -0.280 25488 2402 1 5 . 1 1 16 16 GLN H H 16 8.440 8.440 8.059 0.381 25488 2403 1 5 . 1 1 17 17 ASP N N 17 120.090 120.090 119.960 0.130 25488 2404 1 5 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.337 0.126 25488 2405 1 5 . 1 1 17 17 ASP H H 17 7.899 7.899 7.489 0.410 25488 2406 1 5 . 1 1 18 18 TYR N N 18 122.296 122.296 120.866 1.430 25488 2407 1 5 . 1 1 18 18 TYR H H 18 8.264 8.264 8.037 0.227 25488 2408 1 5 . 1 1 19 19 LEU N N 19 117.675 117.675 117.828 -0.153 25488 2409 1 5 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.398 0.727 25488 2410 1 5 . 1 1 19 19 LEU H H 19 8.687 8.687 7.781 0.906 25488 2411 1 5 . 1 1 20 20 LYS N N 20 124.620 124.620 118.611 6.009 25488 2412 1 5 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.106 0.037 25488 2413 1 5 . 1 1 20 20 LYS H H 20 8.790 8.790 7.416 1.374 25488 2414 1 5 . 1 1 21 21 ARG N N 21 117.608 117.608 118.085 -0.477 25488 2415 1 5 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.971 -0.274 25488 2416 1 5 . 1 1 21 21 ARG H H 21 7.835 7.835 7.046 0.789 25488 2417 1 5 . 1 1 22 22 PHE N N 22 112.136 112.136 116.042 -3.906 25488 2418 1 5 . 1 1 22 22 PHE H H 22 8.003 8.003 6.956 1.047 25488 2419 1 5 . 1 1 23 23 TYR N N 23 116.244 116.244 117.297 -1.053 25488 2420 1 5 . 1 1 23 23 TYR H H 23 7.678 7.678 7.908 -0.230 25488 2421 1 5 . 1 1 24 24 LEU N N 24 115.582 115.582 118.461 -2.879 25488 2422 1 5 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.961 0.174 25488 2423 1 5 . 1 1 24 24 LEU H H 24 7.238 7.238 8.411 -1.173 25488 2424 1 5 . 1 1 25 25 TYR N N 25 119.996 119.996 118.068 1.928 25488 2425 1 5 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.702 -0.297 25488 2426 1 5 . 1 1 25 25 TYR H H 25 7.826 7.826 7.665 0.161 25488 2427 1 5 . 1 1 26 26 ASP N N 26 129.292 129.292 122.561 6.731 25488 2428 1 5 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.725 -0.264 25488 2429 1 5 . 1 1 26 26 ASP H H 26 8.121 8.121 7.982 0.139 25488 2430 1 5 . 1 1 28 28 GLU N N 28 122.115 122.115 119.145 2.970 25488 2431 1 5 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.294 -0.013 25488 2432 1 5 . 1 1 28 28 GLU H H 28 8.262 8.262 7.722 0.540 25488 2433 1 5 . 1 1 29 29 THR N N 29 114.171 114.171 113.973 0.198 25488 2434 1 5 . 1 1 29 29 THR HA H 29 4.222 4.222 4.257 -0.035 25488 2435 1 5 . 1 1 29 29 THR H H 29 7.496 7.496 7.647 -0.151 25488 2436 1 5 . 1 1 30 30 LYS N N 30 123.019 123.019 122.201 0.818 25488 2437 1 5 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.368 -0.150 25488 2438 1 5 . 1 1 30 30 LYS H H 30 8.154 8.154 7.385 0.769 25488 2439 1 5 . 1 1 32 32 ALA N N 32 126.481 126.481 127.580 -1.099 25488 2440 1 5 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.987 0.263 25488 2441 1 5 . 1 1 32 32 ALA H H 32 8.424 8.424 8.698 -0.274 25488 2442 1 5 . 1 1 33 33 ASN N N 33 116.834 116.834 115.519 1.315 25488 2443 1 5 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.593 0.105 25488 2444 1 5 . 1 1 33 33 ASN H H 33 8.312 8.312 8.780 -0.468 25488 2445 1 5 . 1 1 34 34 SER N N 34 116.960 116.960 116.622 0.338 25488 2446 1 5 . 1 1 34 34 SER HA H 34 4.522 4.522 4.422 0.100 25488 2447 1 5 . 1 1 34 34 SER H H 34 8.112 8.112 7.521 0.591 25488 2448 1 5 . 1 1 35 35 LEU N N 35 125.335 125.335 125.057 0.278 25488 2449 1 5 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.202 -0.651 25488 2450 1 5 . 1 1 35 35 LEU H H 35 8.324 8.324 8.699 -0.375 25488 2451 1 5 . 1 1 36 36 GLU N N 36 119.302 119.302 119.314 -0.012 25488 2452 1 5 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.981 -0.038 25488 2453 1 5 . 1 1 36 36 GLU H H 36 8.239 8.239 8.389 -0.150 25488 2454 1 5 . 1 1 37 37 ALA N N 37 120.683 120.683 121.386 -0.703 25488 2455 1 5 . 1 1 37 37 ALA HA H 37 4.047 4.047 3.984 0.063 25488 2456 1 5 . 1 1 37 37 ALA H H 37 7.898 7.898 7.648 0.250 25488 2457 1 5 . 1 1 38 38 LYS N N 38 119.470 119.470 119.343 0.127 25488 2458 1 5 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.128 0.205 25488 2459 1 5 . 1 1 38 38 LYS H H 38 8.217 8.217 7.830 0.387 25488 2460 1 5 . 1 1 39 39 LEU N N 39 122.664 122.664 120.072 2.592 25488 2461 1 5 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.040 -0.126 25488 2462 1 5 . 1 1 39 39 LEU H H 39 8.658 8.658 8.677 -0.019 25488 2463 1 5 . 1 1 40 40 LYS N N 40 118.301 118.301 119.178 -0.877 25488 2464 1 5 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.957 0.716 25488 2465 1 5 . 1 1 40 40 LYS H H 40 8.221 8.221 8.638 -0.417 25488 2466 1 5 . 1 1 41 41 GLU N N 41 121.462 121.462 119.455 2.007 25488 2467 1 5 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.158 -0.090 25488 2468 1 5 . 1 1 41 41 GLU H H 41 7.736 7.736 8.109 -0.373 25488 2469 1 5 . 1 1 42 42 MET N N 42 123.761 123.761 120.090 3.671 25488 2470 1 5 . 1 1 42 42 MET HA H 42 4.046 4.046 4.111 -0.065 25488 2471 1 5 . 1 1 42 42 MET H H 42 7.672 7.672 7.590 0.082 25488 2472 1 5 . 1 1 43 43 GLN N N 43 120.035 120.035 118.598 1.437 25488 2473 1 5 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.988 -0.192 25488 2474 1 5 . 1 1 43 43 GLN H H 43 8.904 8.904 8.932 -0.028 25488 2475 1 5 . 1 1 44 44 LYS N N 44 119.131 119.131 120.183 -1.052 25488 2476 1 5 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.174 -0.122 25488 2477 1 5 . 1 1 44 44 LYS H H 44 8.511 8.511 7.860 0.651 25488 2478 1 5 . 1 1 45 45 PHE N N 45 123.544 123.544 119.502 4.042 25488 2479 1 5 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.283 -0.433 25488 2480 1 5 . 1 1 45 45 PHE H H 45 8.438 8.438 8.094 0.344 25488 2481 1 5 . 1 1 46 46 PHE N N 46 112.789 112.789 116.093 -3.304 25488 2482 1 5 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.444 0.138 25488 2483 1 5 . 1 1 46 46 PHE H H 46 8.273 8.273 8.212 0.061 25488 2484 1 5 . 1 1 47 47 GLY N N 47 110.408 110.408 106.452 3.956 25488 2485 1 5 . 1 1 47 47 GLY H H 47 7.922 7.922 7.617 0.305 25488 2486 1 5 . 1 1 48 48 LEU N N 48 121.853 121.853 123.211 -1.358 25488 2487 1 5 . 1 1 48 48 LEU H H 48 8.747 8.747 8.244 0.503 25488 2488 1 5 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.442 -0.241 25488 2489 1 5 . 1 1 50 50 ILE N N 50 127.000 127.000 118.774 8.226 25488 2490 1 5 . 1 1 50 50 ILE H H 50 8.529 8.529 7.505 1.024 25488 2491 1 5 . 1 1 51 51 THR N N 51 116.519 116.519 116.677 -0.158 25488 2492 1 5 . 1 1 51 51 THR H H 51 7.980 7.980 8.068 -0.088 25488 2493 1 5 . 1 1 52 52 GLY N N 52 112.725 112.725 112.106 0.619 25488 2494 1 5 . 1 1 52 52 GLY H H 52 9.483 9.483 9.403 0.080 25488 2495 1 5 . 1 1 53 53 MET N N 53 116.735 116.735 120.096 -3.361 25488 2496 1 5 . 1 1 53 53 MET HA H 53 4.044 4.044 4.601 -0.557 25488 2497 1 5 . 1 1 53 53 MET H H 53 7.969 7.969 7.810 0.159 25488 2498 1 5 . 1 1 54 54 LEU N N 54 122.602 122.602 122.150 0.452 25488 2499 1 5 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.713 -1.007 25488 2500 1 5 . 1 1 54 54 LEU H H 54 7.926 7.926 8.371 -0.445 25488 2501 1 5 . 1 1 55 55 ASN N N 55 115.755 115.755 119.900 -4.145 25488 2502 1 5 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.790 -0.050 25488 2503 1 5 . 1 1 55 55 ASN H H 55 6.555 6.555 8.068 -1.513 25488 2504 1 5 . 1 1 56 56 SER N N 56 121.450 121.450 122.636 -1.186 25488 2505 1 5 . 1 1 56 56 SER HA H 56 4.662 4.662 3.945 0.717 25488 2506 1 5 . 1 1 56 56 SER H H 56 8.205 8.205 9.203 -0.998 25488 2507 1 5 . 1 1 57 57 ARG N N 57 123.219 123.219 122.135 1.084 25488 2508 1 5 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.890 0.316 25488 2509 1 5 . 1 1 57 57 ARG H H 57 7.883 7.883 8.341 -0.458 25488 2510 1 5 . 1 1 58 58 VAL N N 58 118.843 118.843 117.477 1.366 25488 2511 1 5 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.670 -0.370 25488 2512 1 5 . 1 1 58 58 VAL H H 58 7.594 7.594 7.804 -0.210 25488 2513 1 5 . 1 1 59 59 ILE N N 59 119.212 119.212 118.186 1.026 25488 2514 1 5 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.589 -0.120 25488 2515 1 5 . 1 1 59 59 ILE H H 59 7.326 7.326 7.276 0.050 25488 2516 1 5 . 1 1 60 60 GLU N N 60 119.544 119.544 119.815 -0.271 25488 2517 1 5 . 1 1 60 60 GLU H H 60 7.880 7.880 7.413 0.467 25488 2518 1 5 . 1 1 61 61 ILE N N 61 118.812 118.812 113.054 5.758 25488 2519 1 5 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.578 -0.136 25488 2520 1 5 . 1 1 61 61 ILE H H 61 7.217 7.217 7.399 -0.182 25488 2521 1 5 . 1 1 62 62 MET N N 62 120.202 120.202 118.111 2.091 25488 2522 1 5 . 1 1 62 62 MET HA H 62 3.419 3.419 4.325 -0.906 25488 2523 1 5 . 1 1 62 62 MET H H 62 7.820 7.820 7.163 0.657 25488 2524 1 5 . 1 1 63 63 GLN N N 63 116.274 116.274 114.975 1.299 25488 2525 1 5 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.484 -0.243 25488 2526 1 5 . 1 1 63 63 GLN H H 63 7.442 7.442 7.472 -0.030 25488 2527 1 5 . 1 1 64 64 LYS N N 64 121.450 121.450 122.849 -1.399 25488 2528 1 5 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.325 0.174 25488 2529 1 5 . 1 1 64 64 LYS H H 64 7.474 7.474 7.473 0.001 25488 2530 1 5 . 1 1 66 66 ARG N N 66 113.173 113.173 120.432 -7.259 25488 2531 1 5 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.540 -0.101 25488 2532 1 5 . 1 1 66 66 ARG H H 66 8.151 8.151 8.530 -0.379 25488 2533 1 5 . 1 1 67 67 CYS N N 67 121.794 121.794 118.421 3.373 25488 2534 1 5 . 1 1 67 67 CYS HA H 67 4.420 4.420 5.154 -0.734 25488 2535 1 5 . 1 1 67 67 CYS H H 67 7.709 7.709 8.312 -0.603 25488 2536 1 5 . 1 1 68 68 GLY N N 68 116.255 116.255 109.118 7.137 25488 2537 1 5 . 1 1 68 68 GLY H H 68 9.707 9.707 8.378 1.329 25488 2538 1 5 . 1 1 69 69 VAL N N 69 126.541 126.541 115.268 11.273 25488 2539 1 5 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.526 -0.719 25488 2540 1 5 . 1 1 69 69 VAL H H 69 9.118 9.118 7.027 2.091 25488 2541 1 5 . 1 1 71 71 ASP N N 71 119.114 119.114 123.161 -4.047 25488 2542 1 5 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.717 -0.234 25488 2543 1 5 . 1 1 71 71 ASP H H 71 8.067 8.067 8.516 -0.449 25488 2544 1 5 . 1 1 72 72 VAL N N 72 112.988 112.988 118.867 -5.879 25488 2545 1 5 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.466 -0.185 25488 2546 1 5 . 1 1 72 72 VAL H H 72 6.438 6.438 7.252 -0.814 25488 2547 1 5 . 1 1 73 73 ALA N N 73 125.902 125.902 128.354 -2.452 25488 2548 1 5 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.236 0.031 25488 2549 1 5 . 1 1 73 73 ALA H H 73 8.171 8.171 8.626 -0.455 25488 2550 1 5 . 1 1 74 74 GLU N N 74 120.835 120.835 123.747 -2.912 25488 2551 1 5 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.541 -0.458 25488 2552 1 5 . 1 1 74 74 GLU H H 74 8.385 8.385 7.843 0.542 25488 2553 1 5 . 1 1 75 75 TYR N N 75 121.820 121.820 119.444 2.376 25488 2554 1 5 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.321 0.073 25488 2555 1 5 . 1 1 75 75 TYR H H 75 8.102 8.102 8.854 -0.752 25488 2556 1 5 . 1 1 76 76 SER N N 76 117.881 117.881 114.930 2.951 25488 2557 1 5 . 1 1 76 76 SER H H 76 7.718 7.718 8.731 -1.013 25488 2558 1 5 . 1 1 77 77 LEU N N 77 123.835 123.835 121.591 2.244 25488 2559 1 5 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.522 -0.430 25488 2560 1 5 . 1 1 77 77 LEU H H 77 8.033 8.033 7.957 0.076 25488 2561 1 5 . 1 1 78 78 PHE N N 78 118.893 118.893 120.070 -1.177 25488 2562 1 5 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.051 -0.206 25488 2563 1 5 . 1 1 78 78 PHE H H 78 7.822 7.822 7.701 0.121 25488 2564 1 5 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.161 0.170 25488 2565 1 5 . 1 1 80 80 ASN N N 80 118.184 118.184 119.169 -0.985 25488 2566 1 5 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.624 0.056 25488 2567 1 5 . 1 1 80 80 ASN H H 80 8.106 8.106 8.531 -0.425 25488 2568 1 5 . 1 1 81 81 SER HA H 81 4.636 4.636 4.823 -0.187 25488 2569 1 5 . 1 1 83 83 LYS N N 83 114.696 114.696 118.954 -4.258 25488 2570 1 5 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.682 -0.459 25488 2571 1 5 . 1 1 83 83 LYS H H 83 7.361 7.361 8.031 -0.670 25488 2572 1 5 . 1 1 84 84 TRP N N 84 122.459 122.459 122.798 -0.339 25488 2573 1 5 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.748 -0.745 25488 2574 1 5 . 1 1 84 84 TRP H H 84 8.020 8.020 8.992 -0.972 25488 2575 1 5 . 1 1 85 85 THR N N 85 113.482 113.482 116.997 -3.515 25488 2576 1 5 . 1 1 85 85 THR HA H 85 4.586 4.586 4.296 0.290 25488 2577 1 5 . 1 1 85 85 THR H H 85 8.833 8.833 8.819 0.014 25488 2578 1 5 . 1 1 86 86 SER N N 86 117.316 117.316 113.594 3.722 25488 2579 1 5 . 1 1 86 86 SER HA H 86 4.665 4.665 4.636 0.029 25488 2580 1 5 . 1 1 86 86 SER H H 86 7.724 7.724 7.758 -0.034 25488 2581 1 5 . 1 1 87 87 LYS N N 87 120.411 120.411 122.462 -2.051 25488 2582 1 5 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.221 -0.082 25488 2583 1 5 . 1 1 87 87 LYS H H 87 8.312 8.312 8.628 -0.316 25488 2584 1 5 . 1 1 88 88 VAL N N 88 117.674 117.674 120.710 -3.036 25488 2585 1 5 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.587 0.064 25488 2586 1 5 . 1 1 88 88 VAL H H 88 7.425 7.425 7.222 0.203 25488 2587 1 5 . 1 1 89 89 VAL N N 89 131.493 131.493 129.761 1.732 25488 2588 1 5 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.098 0.043 25488 2589 1 5 . 1 1 89 89 VAL H H 89 8.574 8.574 8.914 -0.340 25488 2590 1 5 . 1 1 90 90 THR N N 90 118.245 118.245 119.146 -0.901 25488 2591 1 5 . 1 1 90 90 THR HA H 90 5.627 5.627 5.573 0.054 25488 2592 1 5 . 1 1 90 90 THR H H 90 9.021 9.021 8.192 0.829 25488 2593 1 5 . 1 1 91 91 TYR N N 91 118.267 118.267 118.407 -0.140 25488 2594 1 5 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.742 -0.068 25488 2595 1 5 . 1 1 91 91 TYR H H 91 8.555 8.555 8.101 0.454 25488 2596 1 5 . 1 1 92 92 ARG N N 92 120.260 120.260 120.889 -0.629 25488 2597 1 5 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.090 -0.444 25488 2598 1 5 . 1 1 92 92 ARG H H 92 8.513 8.513 8.726 -0.213 25488 2599 1 5 . 1 1 93 93 ILE N N 93 128.361 128.361 127.049 1.312 25488 2600 1 5 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.405 0.214 25488 2601 1 5 . 1 1 93 93 ILE H H 93 8.878 8.878 8.955 -0.077 25488 2602 1 5 . 1 1 94 94 VAL N N 94 126.374 126.374 127.528 -1.154 25488 2603 1 5 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.265 -0.265 25488 2604 1 5 . 1 1 94 94 VAL H H 94 9.492 9.492 9.032 0.460 25488 2605 1 5 . 1 1 95 95 SER N N 95 113.303 113.303 114.362 -1.059 25488 2606 1 5 . 1 1 95 95 SER HA H 95 4.705 4.705 4.855 -0.150 25488 2607 1 5 . 1 1 95 95 SER H H 95 7.431 7.431 7.705 -0.274 25488 2608 1 5 . 1 1 96 96 TYR N N 96 117.054 117.054 118.141 -1.087 25488 2609 1 5 . 1 1 96 96 TYR H H 96 8.255 8.255 8.134 0.121 25488 2610 1 5 . 1 1 98 98 ARG N N 98 128.445 128.445 122.894 5.551 25488 2611 1 5 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.097 0.241 25488 2612 1 5 . 1 1 98 98 ARG H H 98 8.964 8.964 8.281 0.683 25488 2613 1 5 . 1 1 99 99 ASP N N 99 120.412 120.412 118.796 1.616 25488 2614 1 5 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.481 -0.146 25488 2615 1 5 . 1 1 99 99 ASP H H 99 8.695 8.695 8.423 0.272 25488 2616 1 5 . 1 1 100 100 LEU N N 100 116.851 116.851 118.632 -1.781 25488 2617 1 5 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.726 0.207 25488 2618 1 5 . 1 1 100 100 LEU H H 100 6.902 6.902 7.239 -0.337 25488 2619 1 5 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.438 0.729 25488 2620 1 5 . 1 1 103 103 ILE N N 103 115.469 115.469 113.369 2.100 25488 2621 1 5 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.704 0.469 25488 2622 1 5 . 1 1 103 103 ILE H H 103 8.296 8.296 8.067 0.229 25488 2623 1 5 . 1 1 104 104 THR N N 104 119.413 119.413 113.829 5.584 25488 2624 1 5 . 1 1 104 104 THR HA H 104 4.019 4.019 4.022 -0.003 25488 2625 1 5 . 1 1 104 104 THR H H 104 6.915 6.915 8.003 -1.088 25488 2626 1 5 . 1 1 105 105 VAL N N 105 123.232 123.232 121.157 2.075 25488 2627 1 5 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.733 -0.319 25488 2628 1 5 . 1 1 105 105 VAL H H 105 7.379 7.379 7.447 -0.068 25488 2629 1 5 . 1 1 106 106 ASP N N 106 120.160 120.160 119.814 0.346 25488 2630 1 5 . 1 1 106 106 ASP H H 106 8.615 8.615 7.773 0.842 25488 2631 1 5 . 1 1 107 107 ARG N N 107 121.041 121.041 117.890 3.151 25488 2632 1 5 . 1 1 107 107 ARG HA H 107 4.090 4.090 3.997 0.093 25488 2633 1 5 . 1 1 107 107 ARG H H 107 8.372 8.372 7.594 0.778 25488 2634 1 5 . 1 1 108 108 LEU N N 108 121.644 121.644 118.421 3.223 25488 2635 1 5 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.207 0.046 25488 2636 1 5 . 1 1 108 108 LEU H H 108 8.768 8.768 7.478 1.290 25488 2637 1 5 . 1 1 109 109 VAL N N 109 120.347 120.347 116.308 4.039 25488 2638 1 5 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.643 -0.272 25488 2639 1 5 . 1 1 109 109 VAL H H 109 8.762 8.762 8.230 0.532 25488 2640 1 5 . 1 1 110 110 SER N N 110 112.949 112.949 117.941 -4.992 25488 2641 1 5 . 1 1 110 110 SER HA H 110 4.270 4.270 3.903 0.367 25488 2642 1 5 . 1 1 110 110 SER H H 110 7.605 7.605 7.701 -0.096 25488 2643 1 5 . 1 1 111 111 LYS N N 111 122.434 122.434 121.161 1.273 25488 2644 1 5 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.140 -0.098 25488 2645 1 5 . 1 1 111 111 LYS H H 111 8.146 8.146 7.662 0.484 25488 2646 1 5 . 1 1 112 112 ALA N N 112 124.099 124.099 121.069 3.030 25488 2647 1 5 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.081 -0.004 25488 2648 1 5 . 1 1 112 112 ALA H H 112 8.270 8.270 7.336 0.934 25488 2649 1 5 . 1 1 113 113 LEU N N 113 116.251 116.251 119.792 -3.541 25488 2650 1 5 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.676 0.046 25488 2651 1 5 . 1 1 113 113 LEU H H 113 8.019 8.019 7.484 0.535 25488 2652 1 5 . 1 1 114 114 ASN N N 114 116.659 116.659 116.645 0.014 25488 2653 1 5 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.437 0.092 25488 2654 1 5 . 1 1 114 114 ASN H H 114 8.197 8.197 8.270 -0.073 25488 2655 1 5 . 1 1 115 115 MET N N 115 122.118 122.118 119.098 3.020 25488 2656 1 5 . 1 1 115 115 MET HA H 115 4.013 4.013 4.075 -0.062 25488 2657 1 5 . 1 1 115 115 MET H H 115 7.918 7.918 7.368 0.550 25488 2658 1 5 . 1 1 116 116 TRP N N 116 117.117 117.117 117.483 -0.366 25488 2659 1 5 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.601 -0.091 25488 2660 1 5 . 1 1 116 116 TRP H H 116 6.773 6.773 7.933 -1.160 25488 2661 1 5 . 1 1 117 117 GLY N N 117 104.656 104.656 106.330 -1.674 25488 2662 1 5 . 1 1 117 117 GLY H H 117 9.305 9.305 8.662 0.643 25488 2663 1 5 . 1 1 118 118 LYS N N 118 118.567 118.567 118.925 -0.358 25488 2664 1 5 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.313 -0.136 25488 2665 1 5 . 1 1 118 118 LYS H H 118 7.947 7.947 8.239 -0.292 25488 2666 1 5 . 1 1 119 119 GLU N N 119 113.899 113.899 118.871 -4.972 25488 2667 1 5 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.354 0.454 25488 2668 1 5 . 1 1 119 119 GLU H H 119 7.773 7.773 8.058 -0.285 25488 2669 1 5 . 1 1 120 120 ILE N N 120 111.215 111.215 120.967 -9.752 25488 2670 1 5 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.615 0.706 25488 2671 1 5 . 1 1 120 120 ILE H H 120 7.528 7.528 8.305 -0.777 25488 2672 1 5 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.504 0.117 25488 2673 1 5 . 1 1 122 122 LEU N N 122 121.481 121.481 121.506 -0.025 25488 2674 1 5 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.034 0.258 25488 2675 1 5 . 1 1 122 122 LEU H H 122 6.815 6.815 7.758 -0.943 25488 2676 1 5 . 1 1 123 123 HIS N N 123 120.769 120.769 124.527 -3.758 25488 2677 1 5 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.620 -0.028 25488 2678 1 5 . 1 1 123 123 HIS H H 123 7.709 7.709 8.829 -1.120 25488 2679 1 5 . 1 1 124 124 PHE N N 124 120.530 120.530 123.441 -2.911 25488 2680 1 5 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.823 -0.011 25488 2681 1 5 . 1 1 124 124 PHE H H 124 8.306 8.306 8.582 -0.276 25488 2682 1 5 . 1 1 125 125 ARG N N 125 123.891 123.891 124.203 -0.312 25488 2683 1 5 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.755 -0.102 25488 2684 1 5 . 1 1 125 125 ARG H H 125 8.408 8.408 9.051 -0.643 25488 2685 1 5 . 1 1 126 126 LYS N N 126 130.178 130.178 127.103 3.075 25488 2686 1 5 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.503 -0.142 25488 2687 1 5 . 1 1 126 126 LYS H H 126 8.468 8.468 8.359 0.109 25488 2688 1 5 . 1 1 127 127 VAL N N 127 125.180 125.180 127.707 -2.527 25488 2689 1 5 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.233 0.275 25488 2690 1 5 . 1 1 127 127 VAL H H 127 8.679 8.679 8.785 -0.106 25488 2691 1 5 . 1 1 128 128 VAL N N 128 117.584 117.584 120.004 -2.420 25488 2692 1 5 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.134 0.152 25488 2693 1 5 . 1 1 128 128 VAL H H 128 8.469 8.469 8.256 0.213 25488 2694 1 5 . 1 1 129 129 TRP N N 129 119.805 119.805 119.804 0.001 25488 2695 1 5 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.835 -0.149 25488 2696 1 5 . 1 1 129 129 TRP H H 129 7.447 7.447 7.525 -0.078 25488 2697 1 5 . 1 1 130 130 GLY N N 130 109.844 109.844 112.396 -2.552 25488 2698 1 5 . 1 1 130 130 GLY H H 130 8.072 8.072 8.421 -0.349 25488 2699 1 5 . 1 1 131 131 THR N N 131 116.125 116.125 114.472 1.653 25488 2700 1 5 . 1 1 131 131 THR HA H 131 4.123 4.123 4.347 -0.224 25488 2701 1 5 . 1 1 131 131 THR H H 131 8.196 8.196 8.313 -0.117 25488 2702 1 5 . 1 1 132 132 ALA N N 132 129.613 129.613 130.682 -1.069 25488 2703 1 5 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.560 -0.049 25488 2704 1 5 . 1 1 132 132 ALA H H 132 7.919 7.919 8.491 -0.572 25488 2705 1 5 . 1 1 133 133 ASP N N 133 123.004 123.004 122.762 0.242 25488 2706 1 5 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.545 -0.103 25488 2707 1 5 . 1 1 133 133 ASP H H 133 8.248 8.248 8.119 0.129 25488 2708 1 5 . 1 1 134 134 ILE N N 134 125.478 125.478 120.766 4.712 25488 2709 1 5 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.511 -0.418 25488 2710 1 5 . 1 1 134 134 ILE H H 134 8.804 8.804 8.245 0.559 25488 2711 1 5 . 1 1 135 135 MET N N 135 127.471 127.471 127.553 -0.082 25488 2712 1 5 . 1 1 135 135 MET HA H 135 5.194 5.194 4.862 0.332 25488 2713 1 5 . 1 1 135 135 MET H H 135 7.437 7.437 9.187 -1.750 25488 2714 1 5 . 1 1 136 136 ILE N N 136 125.040 125.040 125.406 -0.366 25488 2715 1 5 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.968 0.609 25488 2716 1 5 . 1 1 136 136 ILE H H 136 9.085 9.085 9.437 -0.352 25488 2717 1 5 . 1 1 137 137 GLY N N 137 112.059 112.059 113.756 -1.697 25488 2718 1 5 . 1 1 137 137 GLY H H 137 8.568 8.568 8.903 -0.335 25488 2719 1 5 . 1 1 138 138 PHE N N 138 119.447 119.447 123.966 -4.519 25488 2720 1 5 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.306 0.148 25488 2721 1 5 . 1 1 138 138 PHE H H 138 7.861 7.861 9.242 -1.381 25488 2722 1 5 . 1 1 139 139 ALA N N 139 123.657 123.657 126.767 -3.110 25488 2723 1 5 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.791 -0.056 25488 2724 1 5 . 1 1 139 139 ALA H H 139 8.939 8.939 9.093 -0.154 25488 2725 1 5 . 1 1 140 140 ARG N N 140 118.688 118.688 120.005 -1.317 25488 2726 1 5 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.925 0.149 25488 2727 1 5 . 1 1 140 140 ARG H H 140 8.563 8.563 8.637 -0.074 25488 2728 1 5 . 1 1 141 141 GLY N N 141 108.964 108.964 115.063 -6.099 25488 2729 1 5 . 1 1 141 141 GLY H H 141 9.018 9.018 9.414 -0.396 25488 2730 1 5 . 1 1 143 143 HIS N N 143 120.218 120.218 115.137 5.081 25488 2731 1 5 . 1 1 143 143 HIS H H 143 8.998 8.998 7.685 1.313 25488 2732 1 5 . 1 1 145 145 ASP N N 145 117.684 117.684 121.963 -4.279 25488 2733 1 5 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.819 -0.119 25488 2734 1 5 . 1 1 145 145 ASP H H 145 7.088 7.088 8.139 -1.051 25488 2735 1 5 . 1 1 146 146 SER HA H 146 4.140 4.140 4.292 -0.152 25488 2736 1 5 . 1 1 146 146 SER H H 146 8.220 8.220 8.380 -0.160 25488 2737 1 5 . 1 1 147 147 TYR N N 147 120.867 120.867 116.080 4.787 25488 2738 1 5 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.257 0.531 25488 2739 1 5 . 1 1 147 147 TYR H H 147 7.459 7.459 8.222 -0.763 25488 2740 1 5 . 1 1 149 149 PHE N N 149 120.630 120.630 120.657 -0.027 25488 2741 1 5 . 1 1 149 149 PHE H H 149 8.018 8.018 8.402 -0.384 25488 2742 1 5 . 1 1 150 150 ASP N N 150 115.626 115.626 118.755 -3.129 25488 2743 1 5 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.218 0.625 25488 2744 1 5 . 1 1 150 150 ASP H H 150 7.543 7.543 7.830 -0.287 25488 2745 1 5 . 1 1 151 151 GLY N N 151 110.700 110.700 110.196 0.504 25488 2746 1 5 . 1 1 151 151 GLY H H 151 9.074 9.074 8.121 0.953 25488 2747 1 5 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.447 -0.421 25488 2748 1 5 . 1 1 153 153 GLY N N 153 118.786 118.786 112.832 5.954 25488 2749 1 5 . 1 1 153 153 GLY H H 153 11.385 11.385 9.193 2.192 25488 2750 1 5 . 1 1 154 154 ASN N N 154 120.613 120.613 118.509 2.104 25488 2751 1 5 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.400 -0.202 25488 2752 1 5 . 1 1 154 154 ASN H H 154 9.225 9.225 8.337 0.888 25488 2753 1 5 . 1 1 155 155 THR N N 155 118.700 118.700 115.380 3.320 25488 2754 1 5 . 1 1 155 155 THR HA H 155 5.542 5.542 4.314 1.228 25488 2755 1 5 . 1 1 155 155 THR H H 155 9.519 9.519 8.291 1.228 25488 2756 1 5 . 1 1 156 156 LEU N N 156 122.765 122.765 119.014 3.751 25488 2757 1 5 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.086 -0.144 25488 2758 1 5 . 1 1 156 156 LEU H H 156 8.500 8.500 8.093 0.407 25488 2759 1 5 . 1 1 157 157 ALA N N 157 115.545 115.545 120.729 -5.184 25488 2760 1 5 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.021 -0.014 25488 2761 1 5 . 1 1 157 157 ALA H H 157 7.545 7.545 7.539 0.006 25488 2762 1 5 . 1 1 158 158 HIS N N 158 111.868 111.868 118.105 -6.237 25488 2763 1 5 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.740 -0.123 25488 2764 1 5 . 1 1 158 158 HIS H H 158 8.774 8.774 8.368 0.406 25488 2765 1 5 . 1 1 159 159 ALA N N 159 118.565 118.565 125.524 -6.959 25488 2766 1 5 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.770 -0.113 25488 2767 1 5 . 1 1 159 159 ALA H H 159 6.114 6.114 7.978 -1.864 25488 2768 1 5 . 1 1 160 160 PHE N N 160 118.042 118.042 120.722 -2.680 25488 2769 1 5 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.768 -0.287 25488 2770 1 5 . 1 1 160 160 PHE H H 160 7.897 7.897 8.315 -0.418 25488 2771 1 5 . 1 1 161 161 ALA N N 161 123.548 123.548 122.283 1.265 25488 2772 1 5 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.970 -0.487 25488 2773 1 5 . 1 1 161 161 ALA H H 161 8.089 8.089 8.724 -0.635 25488 2774 1 5 . 1 1 162 162 PRO HA H 162 2.871 2.871 2.963 -0.092 25488 2775 1 5 . 1 1 163 163 GLY N N 163 107.255 107.255 108.854 -1.599 25488 2776 1 5 . 1 1 163 163 GLY H H 163 5.992 5.992 7.300 -1.308 25488 2777 1 5 . 1 1 165 165 GLY H H 165 9.149 9.149 8.229 0.920 25488 2778 1 5 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.222 -0.069 25488 2779 1 5 . 1 1 167 167 GLY N N 167 103.338 103.338 103.312 0.026 25488 2780 1 5 . 1 1 167 167 GLY H H 167 7.774 7.774 7.270 0.504 25488 2781 1 5 . 1 1 168 168 GLY N N 168 121.031 121.031 107.784 13.247 25488 2782 1 5 . 1 1 168 168 GLY H H 168 7.685 7.685 8.069 -0.384 25488 2783 1 5 . 1 1 169 169 ASP N N 169 123.703 123.703 122.683 1.020 25488 2784 1 5 . 1 1 169 169 ASP H H 169 8.578 8.578 8.023 0.555 25488 2785 1 5 . 1 1 170 170 ALA N N 170 119.569 119.569 123.800 -4.231 25488 2786 1 5 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.419 0.285 25488 2787 1 5 . 1 1 170 170 ALA H H 170 8.371 8.371 8.422 -0.051 25488 2788 1 5 . 1 1 171 171 HIS N N 171 120.286 120.286 121.168 -0.882 25488 2789 1 5 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.518 0.212 25488 2790 1 5 . 1 1 171 171 HIS H H 171 8.513 8.513 7.897 0.616 25488 2791 1 5 . 1 1 172 172 PHE N N 172 120.919 120.919 119.990 0.929 25488 2792 1 5 . 1 1 172 172 PHE H H 172 8.457 8.457 9.062 -0.605 25488 2793 1 5 . 1 1 173 173 ASP N N 173 123.993 123.993 122.380 1.613 25488 2794 1 5 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.333 -1.437 25488 2795 1 5 . 1 1 173 173 ASP H H 173 7.915 7.915 8.883 -0.968 25488 2796 1 5 . 1 1 174 174 GLU N N 174 132.684 132.684 127.643 5.041 25488 2797 1 5 . 1 1 174 174 GLU H H 174 9.461 9.461 8.988 0.473 25488 2798 1 5 . 1 1 175 175 ASP N N 175 117.313 117.313 119.021 -1.708 25488 2799 1 5 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.746 0.051 25488 2800 1 5 . 1 1 175 175 ASP H H 175 8.756 8.756 7.857 0.899 25488 2801 1 5 . 1 1 176 176 GLU N N 176 116.511 116.511 119.034 -2.523 25488 2802 1 5 . 1 1 176 176 GLU H H 176 7.154 7.154 8.214 -1.060 25488 2803 1 5 . 1 1 177 177 ARG N N 177 121.920 121.920 125.966 -4.046 25488 2804 1 5 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.378 0.247 25488 2805 1 5 . 1 1 177 177 ARG H H 177 7.555 7.555 8.239 -0.684 25488 2806 1 5 . 1 1 178 178 TRP N N 178 129.182 129.182 125.049 4.133 25488 2807 1 5 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.392 -0.279 25488 2808 1 5 . 1 1 178 178 TRP H H 178 8.788 8.788 8.605 0.183 25488 2809 1 5 . 1 1 179 179 THR N N 179 112.874 112.874 111.969 0.905 25488 2810 1 5 . 1 1 179 179 THR HA H 179 5.015 5.015 4.726 0.289 25488 2811 1 5 . 1 1 179 179 THR H H 179 8.946 8.946 8.806 0.140 25488 2812 1 5 . 1 1 180 180 ASP N N 180 121.969 121.969 123.822 -1.853 25488 2813 1 5 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.845 -0.423 25488 2814 1 5 . 1 1 180 180 ASP H H 180 8.478 8.478 8.711 -0.233 25488 2815 1 5 . 1 1 181 181 GLY N N 181 110.059 110.059 107.085 2.974 25488 2816 1 5 . 1 1 181 181 GLY H H 181 8.572 8.572 8.226 0.346 25488 2817 1 5 . 1 1 182 182 SER N N 182 115.564 115.564 116.820 -1.256 25488 2818 1 5 . 1 1 182 182 SER HA H 182 4.599 4.599 4.657 -0.058 25488 2819 1 5 . 1 1 182 182 SER H H 182 8.173 8.173 8.078 0.095 25488 2820 1 5 . 1 1 183 183 SER N N 183 117.066 117.066 113.784 3.282 25488 2821 1 5 . 1 1 183 183 SER H H 183 7.819 7.819 8.546 -0.727 25488 2822 1 5 . 1 1 184 184 LEU N N 184 121.954 121.954 123.448 -1.494 25488 2823 1 5 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.396 -0.034 25488 2824 1 5 . 1 1 184 184 LEU H H 184 8.104 8.104 8.314 -0.210 25488 2825 1 5 . 1 1 185 185 GLY N N 185 108.989 108.989 105.641 3.348 25488 2826 1 5 . 1 1 185 185 GLY H H 185 7.954 7.954 7.179 0.775 25488 2827 1 5 . 1 1 186 186 ILE N N 186 123.084 123.084 119.923 3.161 25488 2828 1 5 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.327 -0.548 25488 2829 1 5 . 1 1 186 186 ILE H H 186 8.878 8.878 8.112 0.766 25488 2830 1 5 . 1 1 187 187 ASN N N 187 126.999 126.999 123.210 3.789 25488 2831 1 5 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.947 -0.551 25488 2832 1 5 . 1 1 187 187 ASN H H 187 8.575 8.575 8.227 0.348 25488 2833 1 5 . 1 1 188 188 PHE N N 188 129.819 129.819 129.138 0.681 25488 2834 1 5 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.400 0.191 25488 2835 1 5 . 1 1 188 188 PHE H H 188 9.365 9.365 9.019 0.346 25488 2836 1 5 . 1 1 189 189 LEU N N 189 119.292 119.292 120.867 -1.575 25488 2837 1 5 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.784 0.049 25488 2838 1 5 . 1 1 189 189 LEU H H 189 8.551 8.551 8.314 0.237 25488 2839 1 5 . 1 1 191 191 ALA N N 191 120.347 120.347 123.860 -3.513 25488 2840 1 5 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.995 0.302 25488 2841 1 5 . 1 1 191 191 ALA H H 191 7.973 7.973 8.363 -0.390 25488 2842 1 5 . 1 1 192 192 ALA N N 192 121.365 121.365 120.290 1.075 25488 2843 1 5 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.097 -0.080 25488 2844 1 5 . 1 1 192 192 ALA H H 192 9.258 9.258 8.439 0.819 25488 2845 1 5 . 1 1 193 193 THR N N 193 117.027 117.027 115.621 1.406 25488 2846 1 5 . 1 1 193 193 THR HA H 193 3.825 3.825 3.919 -0.094 25488 2847 1 5 . 1 1 193 193 THR H H 193 8.209 8.209 7.795 0.414 25488 2848 1 5 . 1 1 194 194 HIS N N 194 120.231 120.231 120.403 -0.172 25488 2849 1 5 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.496 -0.263 25488 2850 1 5 . 1 1 194 194 HIS H H 194 7.805 7.805 8.396 -0.591 25488 2851 1 5 . 1 1 195 195 ALA N N 195 121.346 121.346 122.903 -1.557 25488 2852 1 5 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.257 -0.077 25488 2853 1 5 . 1 1 195 195 ALA H H 195 8.693 8.693 7.772 0.921 25488 2854 1 5 . 1 1 196 196 LEU N N 196 114.951 114.951 114.188 0.763 25488 2855 1 5 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.371 -0.213 25488 2856 1 5 . 1 1 196 196 LEU H H 196 8.714 8.714 8.247 0.467 25488 2857 1 5 . 1 1 197 197 GLY N N 197 107.954 107.954 104.973 2.981 25488 2858 1 5 . 1 1 197 197 GLY H H 197 7.540 7.540 7.858 -0.318 25488 2859 1 5 . 1 1 198 198 HIS N N 198 121.996 121.996 121.238 0.758 25488 2860 1 5 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.583 0.226 25488 2861 1 5 . 1 1 198 198 HIS H H 198 7.205 7.205 7.506 -0.301 25488 2862 1 5 . 1 1 199 199 SER N N 199 118.570 118.570 113.974 4.596 25488 2863 1 5 . 1 1 199 199 SER HA H 199 4.448 4.448 4.418 0.030 25488 2864 1 5 . 1 1 199 199 SER H H 199 7.886 7.886 7.627 0.259 25488 2865 1 5 . 1 1 200 200 LEU N N 200 114.779 114.779 116.582 -1.803 25488 2866 1 5 . 1 1 200 200 LEU H H 200 7.106 7.106 7.840 -0.734 25488 2867 1 5 . 1 1 201 201 GLY N N 201 108.350 108.350 105.730 2.620 25488 2868 1 5 . 1 1 201 201 GLY H H 201 8.213 8.213 7.353 0.860 25488 2869 1 5 . 1 1 202 202 MET N N 202 119.623 119.623 119.781 -0.158 25488 2870 1 5 . 1 1 202 202 MET HA H 202 4.484 4.484 4.415 0.069 25488 2871 1 5 . 1 1 202 202 MET H H 202 8.189 8.189 8.098 0.091 25488 2872 1 5 . 1 1 203 203 GLY N N 203 109.770 109.770 108.852 0.918 25488 2873 1 5 . 1 1 203 203 GLY H H 203 8.413 8.413 8.341 0.072 25488 2874 1 5 . 1 1 204 204 HIS N N 204 115.793 115.793 117.168 -1.375 25488 2875 1 5 . 1 1 204 204 HIS HA H 204 5.374 5.374 5.002 0.372 25488 2876 1 5 . 1 1 204 204 HIS H H 204 8.383 8.383 8.324 0.059 25488 2877 1 5 . 1 1 205 205 SER N N 205 115.497 115.497 114.646 0.851 25488 2878 1 5 . 1 1 205 205 SER HA H 205 4.721 4.721 4.705 0.016 25488 2879 1 5 . 1 1 205 205 SER H H 205 7.223 7.223 8.670 -1.447 25488 2880 1 5 . 1 1 206 206 SER N N 206 119.268 119.268 116.904 2.364 25488 2881 1 5 . 1 1 206 206 SER HA H 206 3.721 3.721 4.701 -0.980 25488 2882 1 5 . 1 1 206 206 SER H H 206 8.290 8.290 8.607 -0.317 25488 2883 1 5 . 1 1 207 207 ASP N N 207 126.656 126.656 121.634 5.022 25488 2884 1 5 . 1 1 207 207 ASP H H 207 8.541 8.541 7.453 1.088 25488 2885 1 5 . 1 1 209 209 ASN N N 209 115.911 115.911 116.784 -0.873 25488 2886 1 5 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.431 0.185 25488 2887 1 5 . 1 1 209 209 ASN H H 209 8.374 8.374 8.019 0.355 25488 2888 1 5 . 1 1 210 210 ALA N N 210 124.929 124.929 121.593 3.336 25488 2889 1 5 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.205 -0.051 25488 2890 1 5 . 1 1 210 210 ALA H H 210 8.182 8.182 6.943 1.239 25488 2891 1 5 . 1 1 211 211 VAL N N 211 130.383 130.383 119.663 10.720 25488 2892 1 5 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.780 0.470 25488 2893 1 5 . 1 1 211 211 VAL H H 211 11.554 11.554 8.567 2.987 25488 2894 1 5 . 1 1 212 212 MET N N 212 113.319 113.319 117.035 -3.716 25488 2895 1 5 . 1 1 212 212 MET H H 212 7.741 7.741 8.044 -0.303 25488 2896 1 5 . 1 1 213 213 TYR N N 213 130.006 130.006 122.986 7.020 25488 2897 1 5 . 1 1 213 213 TYR H H 213 7.899 7.899 7.608 0.291 25488 2898 1 5 . 1 1 215 215 THR N N 215 104.747 104.747 108.027 -3.280 25488 2899 1 5 . 1 1 215 215 THR HA H 215 4.404 4.404 4.318 0.086 25488 2900 1 5 . 1 1 215 215 THR H H 215 6.402 6.402 7.301 -0.899 25488 2901 1 5 . 1 1 216 216 TYR N N 216 124.699 124.699 123.666 1.033 25488 2902 1 5 . 1 1 216 216 TYR H H 216 8.341 8.341 7.573 0.768 25488 2903 1 5 . 1 1 217 217 GLY N N 217 116.288 116.288 112.808 3.480 25488 2904 1 5 . 1 1 217 217 GLY H H 217 7.685 7.685 8.150 -0.465 25488 2905 1 5 . 1 1 218 218 ASN N N 218 119.920 119.920 115.357 4.563 25488 2906 1 5 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.920 -0.300 25488 2907 1 5 . 1 1 218 218 ASN H H 218 8.221 8.221 8.637 -0.416 25488 2908 1 5 . 1 1 219 219 GLY N N 219 109.601 109.601 107.773 1.828 25488 2909 1 5 . 1 1 219 219 GLY H H 219 8.072 8.072 7.653 0.419 25488 2910 1 5 . 1 1 220 220 ASP N N 220 123.006 123.006 120.824 2.182 25488 2911 1 5 . 1 1 220 220 ASP H H 220 8.280 8.280 8.060 0.220 25488 2912 1 5 . 1 1 222 222 GLN N N 222 116.642 116.642 119.283 -2.641 25488 2913 1 5 . 1 1 222 222 GLN H H 222 8.215 8.215 8.487 -0.272 25488 2914 1 5 . 1 1 223 223 ASN N N 223 118.361 118.361 118.430 -0.069 25488 2915 1 5 . 1 1 223 223 ASN H H 223 7.970 7.970 8.367 -0.397 25488 2916 1 5 . 1 1 225 225 LYS N N 225 122.215 122.215 125.052 -2.837 25488 2917 1 5 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.348 0.068 25488 2918 1 5 . 1 1 225 225 LYS H H 225 7.656 7.656 7.709 -0.053 25488 2919 1 5 . 1 1 226 226 LEU N N 226 119.165 119.165 120.632 -1.467 25488 2920 1 5 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.511 -0.423 25488 2921 1 5 . 1 1 226 226 LEU H H 226 7.984 7.984 8.110 -0.126 25488 2922 1 5 . 1 1 227 227 SER N N 227 120.520 120.520 116.435 4.085 25488 2923 1 5 . 1 1 227 227 SER HA H 227 4.676 4.676 4.488 0.188 25488 2924 1 5 . 1 1 227 227 SER H H 227 9.646 9.646 8.459 1.187 25488 2925 1 5 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.223 0.451 25488 2926 1 5 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.455 -0.081 25488 2927 1 5 . 1 1 229 229 ASP H H 229 8.113 8.113 8.275 -0.162 25488 2928 1 5 . 1 1 230 230 ASP N N 230 119.878 119.878 119.203 0.675 25488 2929 1 5 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.506 -0.168 25488 2930 1 5 . 1 1 230 230 ASP H H 230 7.397 7.397 7.701 -0.304 25488 2931 1 5 . 1 1 231 231 ILE N N 231 120.389 120.389 119.481 0.908 25488 2932 1 5 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.732 -0.077 25488 2933 1 5 . 1 1 231 231 ILE H H 231 8.100 8.100 7.419 0.681 25488 2934 1 5 . 1 1 232 232 LYS N N 232 119.084 119.084 119.667 -0.583 25488 2935 1 5 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.069 0.026 25488 2936 1 5 . 1 1 232 232 LYS H H 232 8.581 8.581 8.101 0.480 25488 2937 1 5 . 1 1 233 233 GLY N N 233 106.424 106.424 107.102 -0.678 25488 2938 1 5 . 1 1 233 233 GLY H H 233 8.061 8.061 7.756 0.305 25488 2939 1 5 . 1 1 234 234 ILE N N 234 125.166 125.166 122.045 3.121 25488 2940 1 5 . 1 1 234 234 ILE H H 234 8.517 8.517 7.638 0.879 25488 2941 1 5 . 1 1 235 235 GLN N N 235 122.969 122.969 120.102 2.867 25488 2942 1 5 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.083 0.298 25488 2943 1 5 . 1 1 235 235 GLN H H 235 8.291 8.291 8.278 0.013 25488 2944 1 5 . 1 1 236 236 LYS N N 236 123.770 123.770 116.237 7.533 25488 2945 1 5 . 1 1 236 236 LYS H H 236 8.035 8.035 7.576 0.459 25488 2946 1 5 . 1 1 237 237 LEU N N 237 116.854 116.854 118.920 -2.066 25488 2947 1 5 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.066 -0.107 25488 2948 1 5 . 1 1 237 237 LEU H H 237 6.886 6.886 7.690 -0.804 25488 2949 1 5 . 1 1 238 238 TYR N N 238 112.132 112.132 112.946 -0.814 25488 2950 1 5 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.616 0.010 25488 2951 1 5 . 1 1 238 238 TYR H H 238 7.459 7.459 7.430 0.029 25488 2952 1 5 . 1 1 239 239 GLY N N 239 110.898 110.898 107.467 3.431 25488 2953 1 5 . 1 1 239 239 GLY H H 239 8.442 8.442 7.374 1.068 25488 2954 1 5 . 1 1 240 240 LYS N N 240 114.400 114.400 120.258 -5.858 25488 2955 1 5 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.406 0.398 25488 2956 1 5 . 1 1 240 240 LYS H H 240 7.865 7.865 8.428 -0.563 25488 2957 1 5 . 1 1 241 241 ARG N N 241 123.851 123.851 122.490 1.361 25488 2958 1 5 . 1 1 241 241 ARG H H 241 7.760 7.760 8.657 -0.897 25488 2959 1 5 . 1 1 242 242 SER N N 242 135.647 135.647 114.094 21.553 25488 2960 1 5 . 1 1 242 242 SER H H 242 9.158 9.158 8.563 0.595 25488 2961 1 6 . 1 1 3 3 GLU N N 3 121.690 121.690 123.823 -2.133 25488 2962 1 6 . 1 1 3 3 GLU H H 3 8.332 8.332 8.946 -0.614 25488 2963 1 6 . 1 1 4 4 ALA N N 4 124.526 124.526 120.855 3.671 25488 2964 1 6 . 1 1 4 4 ALA H H 4 8.111 8.111 8.208 -0.097 25488 2965 1 6 . 1 1 5 5 GLY N N 5 108.229 108.229 105.946 2.283 25488 2966 1 6 . 1 1 5 5 GLY H H 5 8.286 8.286 7.820 0.466 25488 2967 1 6 . 1 1 6 6 GLY N N 6 108.867 108.867 107.802 1.065 25488 2968 1 6 . 1 1 6 6 GLY H H 6 8.239 8.239 7.721 0.518 25488 2969 1 6 . 1 1 7 7 MET N N 7 119.984 119.984 120.098 -0.114 25488 2970 1 6 . 1 1 7 7 MET H H 7 8.044 8.044 7.529 0.515 25488 2971 1 6 . 1 1 8 8 SER N N 8 118.771 118.771 115.613 3.158 25488 2972 1 6 . 1 1 8 8 SER HA H 8 4.239 4.239 4.548 -0.309 25488 2973 1 6 . 1 1 8 8 SER H H 8 8.738 8.738 8.339 0.399 25488 2974 1 6 . 1 1 9 9 GLU N N 9 122.551 122.551 124.691 -2.140 25488 2975 1 6 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.152 0.100 25488 2976 1 6 . 1 1 9 9 GLU H H 9 8.919 8.919 9.071 -0.152 25488 2977 1 6 . 1 1 10 10 LEU N N 10 120.638 120.638 119.135 1.503 25488 2978 1 6 . 1 1 10 10 LEU H H 10 8.017 8.017 8.226 -0.209 25488 2979 1 6 . 1 1 11 11 GLN N N 11 119.889 119.889 119.036 0.853 25488 2980 1 6 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.923 0.211 25488 2981 1 6 . 1 1 11 11 GLN H H 11 7.807 7.807 7.949 -0.142 25488 2982 1 6 . 1 1 12 12 TRP N N 12 120.951 120.951 122.947 -1.996 25488 2983 1 6 . 1 1 12 12 TRP H H 12 8.202 8.202 8.706 -0.504 25488 2984 1 6 . 1 1 13 13 GLU N N 13 121.870 121.870 119.171 2.699 25488 2985 1 6 . 1 1 13 13 GLU H H 13 8.436 8.436 8.207 0.229 25488 2986 1 6 . 1 1 14 14 GLN N N 14 120.646 120.646 118.434 2.212 25488 2987 1 6 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.158 0.011 25488 2988 1 6 . 1 1 14 14 GLN H H 14 8.159 8.159 7.582 0.577 25488 2989 1 6 . 1 1 15 15 ALA N N 15 123.216 123.216 121.836 1.380 25488 2990 1 6 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.982 0.356 25488 2991 1 6 . 1 1 15 15 ALA H H 15 8.355 8.355 8.393 -0.038 25488 2992 1 6 . 1 1 16 16 GLN N N 16 117.766 117.766 116.611 1.155 25488 2993 1 6 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.047 -0.342 25488 2994 1 6 . 1 1 16 16 GLN H H 16 8.440 8.440 7.612 0.828 25488 2995 1 6 . 1 1 17 17 ASP N N 17 120.090 120.090 121.790 -1.700 25488 2996 1 6 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.359 0.104 25488 2997 1 6 . 1 1 17 17 ASP H H 17 7.899 7.899 8.254 -0.355 25488 2998 1 6 . 1 1 18 18 TYR N N 18 122.296 122.296 119.868 2.428 25488 2999 1 6 . 1 1 18 18 TYR H H 18 8.264 8.264 8.407 -0.143 25488 3000 1 6 . 1 1 19 19 LEU N N 19 117.675 117.675 117.065 0.610 25488 3001 1 6 . 1 1 19 19 LEU HA H 19 4.125 4.125 2.639 1.486 25488 3002 1 6 . 1 1 19 19 LEU H H 19 8.687 8.687 7.408 1.279 25488 3003 1 6 . 1 1 20 20 LYS N N 20 124.620 124.620 118.555 6.065 25488 3004 1 6 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.961 0.182 25488 3005 1 6 . 1 1 20 20 LYS H H 20 8.790 8.790 7.417 1.373 25488 3006 1 6 . 1 1 21 21 ARG N N 21 117.608 117.608 117.031 0.577 25488 3007 1 6 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.890 -0.193 25488 3008 1 6 . 1 1 21 21 ARG H H 21 7.835 7.835 7.162 0.673 25488 3009 1 6 . 1 1 22 22 PHE N N 22 112.136 112.136 114.038 -1.902 25488 3010 1 6 . 1 1 22 22 PHE H H 22 8.003 8.003 7.179 0.824 25488 3011 1 6 . 1 1 23 23 TYR N N 23 116.244 116.244 117.710 -1.466 25488 3012 1 6 . 1 1 23 23 TYR H H 23 7.678 7.678 8.023 -0.345 25488 3013 1 6 . 1 1 24 24 LEU N N 24 115.582 115.582 119.134 -3.552 25488 3014 1 6 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.030 0.105 25488 3015 1 6 . 1 1 24 24 LEU H H 24 7.238 7.238 7.922 -0.684 25488 3016 1 6 . 1 1 25 25 TYR N N 25 119.996 119.996 115.522 4.474 25488 3017 1 6 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.828 -0.423 25488 3018 1 6 . 1 1 25 25 TYR H H 25 7.826 7.826 7.471 0.355 25488 3019 1 6 . 1 1 26 26 ASP N N 26 129.292 129.292 122.494 6.798 25488 3020 1 6 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.816 -0.355 25488 3021 1 6 . 1 1 26 26 ASP H H 26 8.121 8.121 8.381 -0.260 25488 3022 1 6 . 1 1 28 28 GLU N N 28 122.115 122.115 121.586 0.529 25488 3023 1 6 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.423 -0.142 25488 3024 1 6 . 1 1 28 28 GLU H H 28 8.262 8.262 8.055 0.207 25488 3025 1 6 . 1 1 29 29 THR N N 29 114.171 114.171 115.272 -1.101 25488 3026 1 6 . 1 1 29 29 THR HA H 29 4.222 4.222 4.166 0.056 25488 3027 1 6 . 1 1 29 29 THR H H 29 7.496 7.496 8.313 -0.817 25488 3028 1 6 . 1 1 30 30 LYS N N 30 123.019 123.019 122.534 0.485 25488 3029 1 6 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.243 -0.025 25488 3030 1 6 . 1 1 30 30 LYS H H 30 8.154 8.154 7.583 0.571 25488 3031 1 6 . 1 1 32 32 ALA N N 32 126.481 126.481 127.815 -1.334 25488 3032 1 6 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.017 0.233 25488 3033 1 6 . 1 1 32 32 ALA H H 32 8.424 8.424 8.734 -0.310 25488 3034 1 6 . 1 1 33 33 ASN N N 33 116.834 116.834 116.202 0.632 25488 3035 1 6 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.563 0.135 25488 3036 1 6 . 1 1 33 33 ASN H H 33 8.312 8.312 8.697 -0.385 25488 3037 1 6 . 1 1 34 34 SER N N 34 116.960 116.960 116.995 -0.035 25488 3038 1 6 . 1 1 34 34 SER HA H 34 4.522 4.522 4.371 0.151 25488 3039 1 6 . 1 1 34 34 SER H H 34 8.112 8.112 7.823 0.289 25488 3040 1 6 . 1 1 35 35 LEU N N 35 125.335 125.335 124.050 1.285 25488 3041 1 6 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.986 -0.435 25488 3042 1 6 . 1 1 35 35 LEU H H 35 8.324 8.324 8.518 -0.194 25488 3043 1 6 . 1 1 36 36 GLU N N 36 119.302 119.302 118.776 0.526 25488 3044 1 6 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.923 0.020 25488 3045 1 6 . 1 1 36 36 GLU H H 36 8.239 8.239 8.518 -0.279 25488 3046 1 6 . 1 1 37 37 ALA N N 37 120.683 120.683 121.024 -0.341 25488 3047 1 6 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.206 -0.159 25488 3048 1 6 . 1 1 37 37 ALA H H 37 7.898 7.898 7.922 -0.024 25488 3049 1 6 . 1 1 38 38 LYS N N 38 119.470 119.470 119.783 -0.313 25488 3050 1 6 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.017 0.316 25488 3051 1 6 . 1 1 38 38 LYS H H 38 8.217 8.217 8.017 0.200 25488 3052 1 6 . 1 1 39 39 LEU N N 39 122.664 122.664 120.071 2.593 25488 3053 1 6 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.171 -0.257 25488 3054 1 6 . 1 1 39 39 LEU H H 39 8.658 8.658 7.668 0.990 25488 3055 1 6 . 1 1 40 40 LYS N N 40 118.301 118.301 118.999 -0.698 25488 3056 1 6 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.952 0.721 25488 3057 1 6 . 1 1 40 40 LYS H H 40 8.221 8.221 8.566 -0.345 25488 3058 1 6 . 1 1 41 41 GLU N N 41 121.462 121.462 119.461 2.001 25488 3059 1 6 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.139 -0.071 25488 3060 1 6 . 1 1 41 41 GLU H H 41 7.736 7.736 8.024 -0.288 25488 3061 1 6 . 1 1 42 42 MET N N 42 123.761 123.761 119.452 4.309 25488 3062 1 6 . 1 1 42 42 MET HA H 42 4.046 4.046 4.305 -0.259 25488 3063 1 6 . 1 1 42 42 MET H H 42 7.672 7.672 7.724 -0.052 25488 3064 1 6 . 1 1 43 43 GLN N N 43 120.035 120.035 118.761 1.274 25488 3065 1 6 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.973 -0.177 25488 3066 1 6 . 1 1 43 43 GLN H H 43 8.904 8.904 8.238 0.666 25488 3067 1 6 . 1 1 44 44 LYS N N 44 119.131 119.131 120.587 -1.456 25488 3068 1 6 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.157 -0.105 25488 3069 1 6 . 1 1 44 44 LYS H H 44 8.511 8.511 7.681 0.830 25488 3070 1 6 . 1 1 45 45 PHE N N 45 123.544 123.544 121.014 2.530 25488 3071 1 6 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.258 -0.408 25488 3072 1 6 . 1 1 45 45 PHE H H 45 8.438 8.438 8.037 0.401 25488 3073 1 6 . 1 1 46 46 PHE N N 46 112.789 112.789 114.983 -2.194 25488 3074 1 6 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.257 0.325 25488 3075 1 6 . 1 1 46 46 PHE H H 46 8.273 8.273 8.104 0.169 25488 3076 1 6 . 1 1 47 47 GLY N N 47 110.408 110.408 106.892 3.516 25488 3077 1 6 . 1 1 47 47 GLY H H 47 7.922 7.922 7.805 0.117 25488 3078 1 6 . 1 1 48 48 LEU N N 48 121.853 121.853 122.482 -0.629 25488 3079 1 6 . 1 1 48 48 LEU H H 48 8.747 8.747 8.038 0.709 25488 3080 1 6 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.264 -0.063 25488 3081 1 6 . 1 1 50 50 ILE N N 50 127.000 127.000 120.548 6.452 25488 3082 1 6 . 1 1 50 50 ILE H H 50 8.529 8.529 7.848 0.681 25488 3083 1 6 . 1 1 51 51 THR N N 51 116.519 116.519 119.041 -2.522 25488 3084 1 6 . 1 1 51 51 THR H H 51 7.980 7.980 8.513 -0.533 25488 3085 1 6 . 1 1 52 52 GLY N N 52 112.725 112.725 115.555 -2.830 25488 3086 1 6 . 1 1 52 52 GLY H H 52 9.483 9.483 9.544 -0.061 25488 3087 1 6 . 1 1 53 53 MET N N 53 116.735 116.735 120.137 -3.402 25488 3088 1 6 . 1 1 53 53 MET HA H 53 4.044 4.044 4.771 -0.727 25488 3089 1 6 . 1 1 53 53 MET H H 53 7.969 7.969 8.962 -0.993 25488 3090 1 6 . 1 1 54 54 LEU N N 54 122.602 122.602 124.925 -2.323 25488 3091 1 6 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.686 -0.980 25488 3092 1 6 . 1 1 54 54 LEU H H 54 7.926 7.926 8.263 -0.337 25488 3093 1 6 . 1 1 55 55 ASN N N 55 115.755 115.755 122.696 -6.941 25488 3094 1 6 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.939 -0.199 25488 3095 1 6 . 1 1 55 55 ASN H H 55 6.555 6.555 8.667 -2.112 25488 3096 1 6 . 1 1 56 56 SER N N 56 121.450 121.450 115.918 5.532 25488 3097 1 6 . 1 1 56 56 SER HA H 56 4.662 4.662 4.362 0.300 25488 3098 1 6 . 1 1 56 56 SER H H 56 8.205 8.205 8.869 -0.664 25488 3099 1 6 . 1 1 57 57 ARG N N 57 123.219 123.219 122.765 0.454 25488 3100 1 6 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.192 0.014 25488 3101 1 6 . 1 1 57 57 ARG H H 57 7.883 7.883 8.059 -0.176 25488 3102 1 6 . 1 1 58 58 VAL N N 58 118.843 118.843 119.167 -0.324 25488 3103 1 6 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.510 -0.210 25488 3104 1 6 . 1 1 58 58 VAL H H 58 7.594 7.594 7.467 0.127 25488 3105 1 6 . 1 1 59 59 ILE N N 59 119.212 119.212 117.832 1.380 25488 3106 1 6 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.438 0.031 25488 3107 1 6 . 1 1 59 59 ILE H H 59 7.326 7.326 7.195 0.131 25488 3108 1 6 . 1 1 60 60 GLU N N 60 119.544 119.544 120.417 -0.873 25488 3109 1 6 . 1 1 60 60 GLU H H 60 7.880 7.880 7.365 0.515 25488 3110 1 6 . 1 1 61 61 ILE N N 61 118.812 118.812 115.436 3.376 25488 3111 1 6 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.156 0.286 25488 3112 1 6 . 1 1 61 61 ILE H H 61 7.217 7.217 7.669 -0.452 25488 3113 1 6 . 1 1 62 62 MET N N 62 120.202 120.202 119.420 0.782 25488 3114 1 6 . 1 1 62 62 MET HA H 62 3.419 3.419 4.145 -0.726 25488 3115 1 6 . 1 1 62 62 MET H H 62 7.820 7.820 7.573 0.247 25488 3116 1 6 . 1 1 63 63 GLN N N 63 116.274 116.274 113.947 2.327 25488 3117 1 6 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.388 -0.147 25488 3118 1 6 . 1 1 63 63 GLN H H 63 7.442 7.442 7.511 -0.069 25488 3119 1 6 . 1 1 64 64 LYS N N 64 121.450 121.450 122.465 -1.015 25488 3120 1 6 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.202 0.297 25488 3121 1 6 . 1 1 64 64 LYS H H 64 7.474 7.474 7.025 0.449 25488 3122 1 6 . 1 1 66 66 ARG N N 66 113.173 113.173 119.562 -6.389 25488 3123 1 6 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.464 -0.025 25488 3124 1 6 . 1 1 66 66 ARG H H 66 8.151 8.151 7.526 0.625 25488 3125 1 6 . 1 1 67 67 CYS N N 67 121.794 121.794 119.097 2.697 25488 3126 1 6 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.930 -0.510 25488 3127 1 6 . 1 1 67 67 CYS H H 67 7.709 7.709 8.473 -0.764 25488 3128 1 6 . 1 1 68 68 GLY N N 68 116.255 116.255 112.863 3.392 25488 3129 1 6 . 1 1 68 68 GLY H H 68 9.707 9.707 8.580 1.127 25488 3130 1 6 . 1 1 69 69 VAL N N 69 126.541 126.541 115.235 11.306 25488 3131 1 6 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.453 -0.646 25488 3132 1 6 . 1 1 69 69 VAL H H 69 9.118 9.118 6.927 2.191 25488 3133 1 6 . 1 1 71 71 ASP N N 71 119.114 119.114 126.172 -7.058 25488 3134 1 6 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.666 -0.183 25488 3135 1 6 . 1 1 71 71 ASP H H 71 8.067 8.067 8.509 -0.442 25488 3136 1 6 . 1 1 72 72 VAL N N 72 112.988 112.988 117.729 -4.741 25488 3137 1 6 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.289 -0.008 25488 3138 1 6 . 1 1 72 72 VAL H H 72 6.438 6.438 7.091 -0.653 25488 3139 1 6 . 1 1 73 73 ALA N N 73 125.902 125.902 125.685 0.217 25488 3140 1 6 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.200 0.067 25488 3141 1 6 . 1 1 73 73 ALA H H 73 8.171 8.171 8.438 -0.267 25488 3142 1 6 . 1 1 74 74 GLU N N 74 120.835 120.835 123.937 -3.102 25488 3143 1 6 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.434 -0.351 25488 3144 1 6 . 1 1 74 74 GLU H H 74 8.385 8.385 7.733 0.652 25488 3145 1 6 . 1 1 75 75 TYR N N 75 121.820 121.820 121.666 0.154 25488 3146 1 6 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.296 0.098 25488 3147 1 6 . 1 1 75 75 TYR H H 75 8.102 8.102 8.968 -0.866 25488 3148 1 6 . 1 1 76 76 SER N N 76 117.881 117.881 114.375 3.506 25488 3149 1 6 . 1 1 76 76 SER H H 76 7.718 7.718 8.601 -0.883 25488 3150 1 6 . 1 1 77 77 LEU N N 77 123.835 123.835 121.486 2.349 25488 3151 1 6 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.511 -0.419 25488 3152 1 6 . 1 1 77 77 LEU H H 77 8.033 8.033 7.650 0.383 25488 3153 1 6 . 1 1 78 78 PHE N N 78 118.893 118.893 121.575 -2.682 25488 3154 1 6 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.793 0.052 25488 3155 1 6 . 1 1 78 78 PHE H H 78 7.822 7.822 7.721 0.101 25488 3156 1 6 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.279 0.052 25488 3157 1 6 . 1 1 80 80 ASN N N 80 118.184 118.184 122.101 -3.917 25488 3158 1 6 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.666 0.014 25488 3159 1 6 . 1 1 80 80 ASN H H 80 8.106 8.106 8.028 0.078 25488 3160 1 6 . 1 1 81 81 SER HA H 81 4.636 4.636 4.594 0.042 25488 3161 1 6 . 1 1 83 83 LYS N N 83 114.696 114.696 116.625 -1.929 25488 3162 1 6 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.498 -0.275 25488 3163 1 6 . 1 1 83 83 LYS H H 83 7.361 7.361 7.875 -0.514 25488 3164 1 6 . 1 1 84 84 TRP N N 84 122.459 122.459 121.921 0.538 25488 3165 1 6 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.882 -0.879 25488 3166 1 6 . 1 1 84 84 TRP H H 84 8.020 8.020 8.695 -0.675 25488 3167 1 6 . 1 1 85 85 THR N N 85 113.482 113.482 115.943 -2.461 25488 3168 1 6 . 1 1 85 85 THR HA H 85 4.586 4.586 4.160 0.426 25488 3169 1 6 . 1 1 85 85 THR H H 85 8.833 8.833 8.681 0.152 25488 3170 1 6 . 1 1 86 86 SER N N 86 117.316 117.316 115.774 1.542 25488 3171 1 6 . 1 1 86 86 SER HA H 86 4.665 4.665 4.645 0.020 25488 3172 1 6 . 1 1 86 86 SER H H 86 7.724 7.724 7.963 -0.239 25488 3173 1 6 . 1 1 87 87 LYS N N 87 120.411 120.411 122.451 -2.040 25488 3174 1 6 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.286 -0.147 25488 3175 1 6 . 1 1 87 87 LYS H H 87 8.312 8.312 8.560 -0.248 25488 3176 1 6 . 1 1 88 88 VAL N N 88 117.674 117.674 120.119 -2.445 25488 3177 1 6 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.333 0.318 25488 3178 1 6 . 1 1 88 88 VAL H H 88 7.425 7.425 7.286 0.139 25488 3179 1 6 . 1 1 89 89 VAL N N 89 131.493 131.493 123.537 7.956 25488 3180 1 6 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.458 -0.317 25488 3181 1 6 . 1 1 89 89 VAL H H 89 8.574 8.574 8.327 0.247 25488 3182 1 6 . 1 1 90 90 THR N N 90 118.245 118.245 116.249 1.996 25488 3183 1 6 . 1 1 90 90 THR HA H 90 5.627 5.627 5.612 0.015 25488 3184 1 6 . 1 1 90 90 THR H H 90 9.021 9.021 9.248 -0.227 25488 3185 1 6 . 1 1 91 91 TYR N N 91 118.267 118.267 119.764 -1.497 25488 3186 1 6 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.805 -0.131 25488 3187 1 6 . 1 1 91 91 TYR H H 91 8.555 8.555 8.643 -0.088 25488 3188 1 6 . 1 1 92 92 ARG N N 92 120.260 120.260 121.989 -1.729 25488 3189 1 6 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.981 -0.335 25488 3190 1 6 . 1 1 92 92 ARG H H 92 8.513 8.513 8.145 0.368 25488 3191 1 6 . 1 1 93 93 ILE N N 93 128.361 128.361 126.182 2.179 25488 3192 1 6 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.671 -0.052 25488 3193 1 6 . 1 1 93 93 ILE H H 93 8.878 8.878 8.948 -0.070 25488 3194 1 6 . 1 1 94 94 VAL N N 94 126.374 126.374 128.302 -1.928 25488 3195 1 6 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.061 -0.061 25488 3196 1 6 . 1 1 94 94 VAL H H 94 9.492 9.492 9.147 0.345 25488 3197 1 6 . 1 1 95 95 SER N N 95 113.303 113.303 113.309 -0.006 25488 3198 1 6 . 1 1 95 95 SER HA H 95 4.705 4.705 4.733 -0.028 25488 3199 1 6 . 1 1 95 95 SER H H 95 7.431 7.431 7.526 -0.095 25488 3200 1 6 . 1 1 96 96 TYR N N 96 117.054 117.054 118.052 -0.998 25488 3201 1 6 . 1 1 96 96 TYR H H 96 8.255 8.255 7.724 0.531 25488 3202 1 6 . 1 1 98 98 ARG N N 98 128.445 128.445 126.754 1.691 25488 3203 1 6 . 1 1 98 98 ARG HA H 98 4.338 4.338 3.926 0.412 25488 3204 1 6 . 1 1 98 98 ARG H H 98 8.964 8.964 8.453 0.511 25488 3205 1 6 . 1 1 99 99 ASP N N 99 120.412 120.412 118.391 2.021 25488 3206 1 6 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.527 -0.192 25488 3207 1 6 . 1 1 99 99 ASP H H 99 8.695 8.695 8.519 0.176 25488 3208 1 6 . 1 1 100 100 LEU N N 100 116.851 116.851 119.820 -2.969 25488 3209 1 6 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.887 0.046 25488 3210 1 6 . 1 1 100 100 LEU H H 100 6.902 6.902 7.411 -0.509 25488 3211 1 6 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.088 0.079 25488 3212 1 6 . 1 1 103 103 ILE N N 103 115.469 115.469 116.222 -0.753 25488 3213 1 6 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.850 0.323 25488 3214 1 6 . 1 1 103 103 ILE H H 103 8.296 8.296 7.961 0.335 25488 3215 1 6 . 1 1 104 104 THR N N 104 119.413 119.413 110.930 8.483 25488 3216 1 6 . 1 1 104 104 THR HA H 104 4.019 4.019 4.057 -0.038 25488 3217 1 6 . 1 1 104 104 THR H H 104 6.915 6.915 7.797 -0.882 25488 3218 1 6 . 1 1 105 105 VAL N N 105 123.232 123.232 118.875 4.357 25488 3219 1 6 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.654 -0.240 25488 3220 1 6 . 1 1 105 105 VAL H H 105 7.379 7.379 7.079 0.300 25488 3221 1 6 . 1 1 106 106 ASP N N 106 120.160 120.160 120.392 -0.232 25488 3222 1 6 . 1 1 106 106 ASP H H 106 8.615 8.615 8.633 -0.018 25488 3223 1 6 . 1 1 107 107 ARG N N 107 121.041 121.041 118.878 2.163 25488 3224 1 6 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.123 -0.033 25488 3225 1 6 . 1 1 107 107 ARG H H 107 8.372 8.372 7.855 0.517 25488 3226 1 6 . 1 1 108 108 LEU N N 108 121.644 121.644 120.082 1.562 25488 3227 1 6 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.106 0.147 25488 3228 1 6 . 1 1 108 108 LEU H H 108 8.768 8.768 7.703 1.065 25488 3229 1 6 . 1 1 109 109 VAL N N 109 120.347 120.347 117.541 2.806 25488 3230 1 6 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.646 -0.275 25488 3231 1 6 . 1 1 109 109 VAL H H 109 8.762 8.762 8.223 0.539 25488 3232 1 6 . 1 1 110 110 SER N N 110 112.949 112.949 118.308 -5.359 25488 3233 1 6 . 1 1 110 110 SER HA H 110 4.270 4.270 3.787 0.483 25488 3234 1 6 . 1 1 110 110 SER H H 110 7.605 7.605 8.097 -0.492 25488 3235 1 6 . 1 1 111 111 LYS N N 111 122.434 122.434 121.443 0.991 25488 3236 1 6 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.891 0.151 25488 3237 1 6 . 1 1 111 111 LYS H H 111 8.146 8.146 7.847 0.299 25488 3238 1 6 . 1 1 112 112 ALA N N 112 124.099 124.099 119.625 4.474 25488 3239 1 6 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.025 0.052 25488 3240 1 6 . 1 1 112 112 ALA H H 112 8.270 8.270 7.548 0.722 25488 3241 1 6 . 1 1 113 113 LEU N N 113 116.251 116.251 119.607 -3.356 25488 3242 1 6 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.647 0.075 25488 3243 1 6 . 1 1 113 113 LEU H H 113 8.019 8.019 7.722 0.297 25488 3244 1 6 . 1 1 114 114 ASN N N 114 116.659 116.659 117.204 -0.545 25488 3245 1 6 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.352 0.177 25488 3246 1 6 . 1 1 114 114 ASN H H 114 8.197 8.197 8.282 -0.085 25488 3247 1 6 . 1 1 115 115 MET N N 115 122.118 122.118 118.687 3.431 25488 3248 1 6 . 1 1 115 115 MET HA H 115 4.013 4.013 3.873 0.140 25488 3249 1 6 . 1 1 115 115 MET H H 115 7.918 7.918 7.400 0.518 25488 3250 1 6 . 1 1 116 116 TRP N N 116 117.117 117.117 117.100 0.017 25488 3251 1 6 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.589 -0.079 25488 3252 1 6 . 1 1 116 116 TRP H H 116 6.773 6.773 7.496 -0.723 25488 3253 1 6 . 1 1 117 117 GLY N N 117 104.656 104.656 108.078 -3.422 25488 3254 1 6 . 1 1 117 117 GLY H H 117 9.305 9.305 8.374 0.931 25488 3255 1 6 . 1 1 118 118 LYS N N 118 118.567 118.567 118.875 -0.308 25488 3256 1 6 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.222 -0.045 25488 3257 1 6 . 1 1 118 118 LYS H H 118 7.947 7.947 8.080 -0.133 25488 3258 1 6 . 1 1 119 119 GLU N N 119 113.899 113.899 118.694 -4.795 25488 3259 1 6 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.364 0.444 25488 3260 1 6 . 1 1 119 119 GLU H H 119 7.773 7.773 7.626 0.147 25488 3261 1 6 . 1 1 120 120 ILE N N 120 111.215 111.215 120.542 -9.327 25488 3262 1 6 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.827 0.494 25488 3263 1 6 . 1 1 120 120 ILE H H 120 7.528 7.528 8.432 -0.904 25488 3264 1 6 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.171 0.450 25488 3265 1 6 . 1 1 122 122 LEU N N 122 121.481 121.481 120.229 1.252 25488 3266 1 6 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.126 0.166 25488 3267 1 6 . 1 1 122 122 LEU H H 122 6.815 6.815 7.901 -1.086 25488 3268 1 6 . 1 1 123 123 HIS N N 123 120.769 120.769 119.977 0.792 25488 3269 1 6 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.774 -0.182 25488 3270 1 6 . 1 1 123 123 HIS H H 123 7.709 7.709 8.054 -0.345 25488 3271 1 6 . 1 1 124 124 PHE N N 124 120.530 120.530 121.421 -0.891 25488 3272 1 6 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.403 0.409 25488 3273 1 6 . 1 1 124 124 PHE H H 124 8.306 8.306 8.746 -0.440 25488 3274 1 6 . 1 1 125 125 ARG N N 125 123.891 123.891 124.248 -0.357 25488 3275 1 6 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.771 -0.118 25488 3276 1 6 . 1 1 125 125 ARG H H 125 8.408 8.408 8.648 -0.240 25488 3277 1 6 . 1 1 126 126 LYS N N 126 130.178 130.178 125.765 4.413 25488 3278 1 6 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.803 -0.442 25488 3279 1 6 . 1 1 126 126 LYS H H 126 8.468 8.468 8.434 0.034 25488 3280 1 6 . 1 1 127 127 VAL N N 127 125.180 125.180 126.728 -1.548 25488 3281 1 6 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.195 0.313 25488 3282 1 6 . 1 1 127 127 VAL H H 127 8.679 8.679 8.415 0.264 25488 3283 1 6 . 1 1 128 128 VAL N N 128 117.584 117.584 117.854 -0.270 25488 3284 1 6 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.492 -0.206 25488 3285 1 6 . 1 1 128 128 VAL H H 128 8.469 8.469 8.000 0.469 25488 3286 1 6 . 1 1 129 129 TRP N N 129 119.805 119.805 118.923 0.882 25488 3287 1 6 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.901 -0.215 25488 3288 1 6 . 1 1 129 129 TRP H H 129 7.447 7.447 7.490 -0.043 25488 3289 1 6 . 1 1 130 130 GLY N N 130 109.844 109.844 109.891 -0.047 25488 3290 1 6 . 1 1 130 130 GLY H H 130 8.072 8.072 8.381 -0.309 25488 3291 1 6 . 1 1 131 131 THR N N 131 116.125 116.125 112.535 3.590 25488 3292 1 6 . 1 1 131 131 THR HA H 131 4.123 4.123 4.278 -0.155 25488 3293 1 6 . 1 1 131 131 THR H H 131 8.196 8.196 8.270 -0.074 25488 3294 1 6 . 1 1 132 132 ALA N N 132 129.613 129.613 127.272 2.341 25488 3295 1 6 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.592 -0.081 25488 3296 1 6 . 1 1 132 132 ALA H H 132 7.919 7.919 8.225 -0.306 25488 3297 1 6 . 1 1 133 133 ASP N N 133 123.004 123.004 119.912 3.092 25488 3298 1 6 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.742 -0.300 25488 3299 1 6 . 1 1 133 133 ASP H H 133 8.248 8.248 8.318 -0.070 25488 3300 1 6 . 1 1 134 134 ILE N N 134 125.478 125.478 123.001 2.477 25488 3301 1 6 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.437 -0.344 25488 3302 1 6 . 1 1 134 134 ILE H H 134 8.804 8.804 8.306 0.498 25488 3303 1 6 . 1 1 135 135 MET N N 135 127.471 127.471 127.162 0.309 25488 3304 1 6 . 1 1 135 135 MET HA H 135 5.194 5.194 4.895 0.299 25488 3305 1 6 . 1 1 135 135 MET H H 135 7.437 7.437 9.205 -1.768 25488 3306 1 6 . 1 1 136 136 ILE N N 136 125.040 125.040 122.889 2.151 25488 3307 1 6 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.961 0.616 25488 3308 1 6 . 1 1 136 136 ILE H H 136 9.085 9.085 8.982 0.103 25488 3309 1 6 . 1 1 137 137 GLY N N 137 112.059 112.059 113.990 -1.931 25488 3310 1 6 . 1 1 137 137 GLY H H 137 8.568 8.568 8.611 -0.043 25488 3311 1 6 . 1 1 138 138 PHE N N 138 119.447 119.447 121.347 -1.900 25488 3312 1 6 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.458 -0.004 25488 3313 1 6 . 1 1 138 138 PHE H H 138 7.861 7.861 8.641 -0.780 25488 3314 1 6 . 1 1 139 139 ALA N N 139 123.657 123.657 126.935 -3.278 25488 3315 1 6 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.753 -0.018 25488 3316 1 6 . 1 1 139 139 ALA H H 139 8.939 8.939 9.180 -0.241 25488 3317 1 6 . 1 1 140 140 ARG N N 140 118.688 118.688 120.108 -1.420 25488 3318 1 6 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.742 0.332 25488 3319 1 6 . 1 1 140 140 ARG H H 140 8.563 8.563 8.632 -0.069 25488 3320 1 6 . 1 1 141 141 GLY N N 141 108.964 108.964 110.645 -1.681 25488 3321 1 6 . 1 1 141 141 GLY H H 141 9.018 9.018 9.251 -0.233 25488 3322 1 6 . 1 1 143 143 HIS N N 143 120.218 120.218 116.345 3.873 25488 3323 1 6 . 1 1 143 143 HIS H H 143 8.998 8.998 7.763 1.235 25488 3324 1 6 . 1 1 145 145 ASP N N 145 117.684 117.684 122.230 -4.546 25488 3325 1 6 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.755 -0.055 25488 3326 1 6 . 1 1 145 145 ASP H H 145 7.088 7.088 8.105 -1.017 25488 3327 1 6 . 1 1 146 146 SER HA H 146 4.140 4.140 4.365 -0.225 25488 3328 1 6 . 1 1 146 146 SER H H 146 8.220 8.220 8.507 -0.287 25488 3329 1 6 . 1 1 147 147 TYR N N 147 120.867 120.867 116.300 4.567 25488 3330 1 6 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.278 0.510 25488 3331 1 6 . 1 1 147 147 TYR H H 147 7.459 7.459 8.133 -0.674 25488 3332 1 6 . 1 1 149 149 PHE N N 149 120.630 120.630 119.958 0.672 25488 3333 1 6 . 1 1 149 149 PHE H H 149 8.018 8.018 8.519 -0.501 25488 3334 1 6 . 1 1 150 150 ASP N N 150 115.626 115.626 116.496 -0.870 25488 3335 1 6 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.163 0.680 25488 3336 1 6 . 1 1 150 150 ASP H H 150 7.543 7.543 7.645 -0.102 25488 3337 1 6 . 1 1 151 151 GLY N N 151 110.700 110.700 108.492 2.208 25488 3338 1 6 . 1 1 151 151 GLY H H 151 9.074 9.074 8.047 1.027 25488 3339 1 6 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.194 -0.168 25488 3340 1 6 . 1 1 153 153 GLY N N 153 118.786 118.786 114.713 4.073 25488 3341 1 6 . 1 1 153 153 GLY H H 153 11.385 11.385 8.676 2.709 25488 3342 1 6 . 1 1 154 154 ASN N N 154 120.613 120.613 119.619 0.994 25488 3343 1 6 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.137 0.061 25488 3344 1 6 . 1 1 154 154 ASN H H 154 9.225 9.225 8.398 0.827 25488 3345 1 6 . 1 1 155 155 THR N N 155 118.700 118.700 115.751 2.949 25488 3346 1 6 . 1 1 155 155 THR HA H 155 5.542 5.542 4.302 1.240 25488 3347 1 6 . 1 1 155 155 THR H H 155 9.519 9.519 8.438 1.081 25488 3348 1 6 . 1 1 156 156 LEU N N 156 122.765 122.765 117.903 4.862 25488 3349 1 6 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.153 -0.211 25488 3350 1 6 . 1 1 156 156 LEU H H 156 8.500 8.500 8.290 0.210 25488 3351 1 6 . 1 1 157 157 ALA N N 157 115.545 115.545 119.859 -4.314 25488 3352 1 6 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.916 0.091 25488 3353 1 6 . 1 1 157 157 ALA H H 157 7.545 7.545 7.405 0.140 25488 3354 1 6 . 1 1 158 158 HIS N N 158 111.868 111.868 117.388 -5.520 25488 3355 1 6 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.815 -0.198 25488 3356 1 6 . 1 1 158 158 HIS H H 158 8.774 8.774 8.927 -0.153 25488 3357 1 6 . 1 1 159 159 ALA N N 159 118.565 118.565 121.141 -2.576 25488 3358 1 6 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.428 0.229 25488 3359 1 6 . 1 1 159 159 ALA H H 159 6.114 6.114 8.028 -1.914 25488 3360 1 6 . 1 1 160 160 PHE N N 160 118.042 118.042 119.205 -1.163 25488 3361 1 6 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.956 -0.475 25488 3362 1 6 . 1 1 160 160 PHE H H 160 7.897 7.897 8.537 -0.640 25488 3363 1 6 . 1 1 161 161 ALA N N 161 123.548 123.548 123.244 0.304 25488 3364 1 6 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.924 -0.441 25488 3365 1 6 . 1 1 161 161 ALA H H 161 8.089 8.089 8.583 -0.494 25488 3366 1 6 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.494 -0.623 25488 3367 1 6 . 1 1 163 163 GLY N N 163 107.255 107.255 109.625 -2.370 25488 3368 1 6 . 1 1 163 163 GLY H H 163 5.992 5.992 7.101 -1.109 25488 3369 1 6 . 1 1 165 165 GLY H H 165 9.149 9.149 7.881 1.268 25488 3370 1 6 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.195 -0.042 25488 3371 1 6 . 1 1 167 167 GLY N N 167 103.338 103.338 102.451 0.887 25488 3372 1 6 . 1 1 167 167 GLY H H 167 7.774 7.774 7.339 0.435 25488 3373 1 6 . 1 1 168 168 GLY N N 168 121.031 121.031 108.055 12.976 25488 3374 1 6 . 1 1 168 168 GLY H H 168 7.685 7.685 8.453 -0.768 25488 3375 1 6 . 1 1 169 169 ASP N N 169 123.703 123.703 122.170 1.533 25488 3376 1 6 . 1 1 169 169 ASP H H 169 8.578 8.578 7.884 0.694 25488 3377 1 6 . 1 1 170 170 ALA N N 170 119.569 119.569 121.298 -1.729 25488 3378 1 6 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.603 0.101 25488 3379 1 6 . 1 1 170 170 ALA H H 170 8.371 8.371 9.065 -0.694 25488 3380 1 6 . 1 1 171 171 HIS N N 171 120.286 120.286 121.174 -0.888 25488 3381 1 6 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.101 0.629 25488 3382 1 6 . 1 1 171 171 HIS H H 171 8.513 8.513 8.457 0.056 25488 3383 1 6 . 1 1 172 172 PHE N N 172 120.919 120.919 123.349 -2.430 25488 3384 1 6 . 1 1 172 172 PHE H H 172 8.457 8.457 8.704 -0.247 25488 3385 1 6 . 1 1 173 173 ASP N N 173 123.993 123.993 121.559 2.434 25488 3386 1 6 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.324 -1.428 25488 3387 1 6 . 1 1 173 173 ASP H H 173 7.915 7.915 8.585 -0.670 25488 3388 1 6 . 1 1 174 174 GLU N N 174 132.684 132.684 127.722 4.962 25488 3389 1 6 . 1 1 174 174 GLU H H 174 9.461 9.461 8.748 0.713 25488 3390 1 6 . 1 1 175 175 ASP N N 175 117.313 117.313 117.933 -0.620 25488 3391 1 6 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.671 0.126 25488 3392 1 6 . 1 1 175 175 ASP H H 175 8.756 8.756 7.976 0.780 25488 3393 1 6 . 1 1 176 176 GLU N N 176 116.511 116.511 118.960 -2.449 25488 3394 1 6 . 1 1 176 176 GLU H H 176 7.154 7.154 7.484 -0.330 25488 3395 1 6 . 1 1 177 177 ARG N N 177 121.920 121.920 124.636 -2.716 25488 3396 1 6 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.266 0.359 25488 3397 1 6 . 1 1 177 177 ARG H H 177 7.555 7.555 8.314 -0.759 25488 3398 1 6 . 1 1 178 178 TRP N N 178 129.182 129.182 125.427 3.755 25488 3399 1 6 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.443 -0.330 25488 3400 1 6 . 1 1 178 178 TRP H H 178 8.788 8.788 8.314 0.474 25488 3401 1 6 . 1 1 179 179 THR N N 179 112.874 112.874 111.759 1.115 25488 3402 1 6 . 1 1 179 179 THR HA H 179 5.015 5.015 4.679 0.336 25488 3403 1 6 . 1 1 179 179 THR H H 179 8.946 8.946 8.746 0.200 25488 3404 1 6 . 1 1 180 180 ASP N N 180 121.969 121.969 121.489 0.480 25488 3405 1 6 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.809 -0.387 25488 3406 1 6 . 1 1 180 180 ASP H H 180 8.478 8.478 8.679 -0.201 25488 3407 1 6 . 1 1 181 181 GLY N N 181 110.059 110.059 106.919 3.140 25488 3408 1 6 . 1 1 181 181 GLY H H 181 8.572 8.572 8.241 0.331 25488 3409 1 6 . 1 1 182 182 SER N N 182 115.564 115.564 115.310 0.254 25488 3410 1 6 . 1 1 182 182 SER HA H 182 4.599 4.599 4.619 -0.020 25488 3411 1 6 . 1 1 182 182 SER H H 182 8.173 8.173 7.761 0.411 25488 3412 1 6 . 1 1 183 183 SER N N 183 117.066 117.066 115.783 1.283 25488 3413 1 6 . 1 1 183 183 SER H H 183 7.819 7.819 8.546 -0.727 25488 3414 1 6 . 1 1 184 184 LEU N N 184 121.954 121.954 119.077 2.877 25488 3415 1 6 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.544 -0.182 25488 3416 1 6 . 1 1 184 184 LEU H H 184 8.104 8.104 7.883 0.221 25488 3417 1 6 . 1 1 185 185 GLY N N 185 108.989 108.989 106.110 2.879 25488 3418 1 6 . 1 1 185 185 GLY H H 185 7.954 7.954 7.358 0.596 25488 3419 1 6 . 1 1 186 186 ILE N N 186 123.084 123.084 120.043 3.041 25488 3420 1 6 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.259 -0.480 25488 3421 1 6 . 1 1 186 186 ILE H H 186 8.878 8.878 8.359 0.519 25488 3422 1 6 . 1 1 187 187 ASN N N 187 126.999 126.999 123.495 3.504 25488 3423 1 6 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.869 -0.473 25488 3424 1 6 . 1 1 187 187 ASN H H 187 8.575 8.575 8.584 -0.009 25488 3425 1 6 . 1 1 188 188 PHE N N 188 129.819 129.819 128.234 1.585 25488 3426 1 6 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.358 0.233 25488 3427 1 6 . 1 1 188 188 PHE H H 188 9.365 9.365 8.961 0.404 25488 3428 1 6 . 1 1 189 189 LEU N N 189 119.292 119.292 120.273 -0.981 25488 3429 1 6 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.816 0.017 25488 3430 1 6 . 1 1 189 189 LEU H H 189 8.551 8.551 7.877 0.674 25488 3431 1 6 . 1 1 191 191 ALA N N 191 120.347 120.347 120.767 -0.420 25488 3432 1 6 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.961 0.336 25488 3433 1 6 . 1 1 191 191 ALA H H 191 7.973 7.973 7.822 0.151 25488 3434 1 6 . 1 1 192 192 ALA N N 192 121.365 121.365 119.654 1.711 25488 3435 1 6 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.230 -0.213 25488 3436 1 6 . 1 1 192 192 ALA H H 192 9.258 9.258 8.670 0.588 25488 3437 1 6 . 1 1 193 193 THR N N 193 117.027 117.027 115.669 1.358 25488 3438 1 6 . 1 1 193 193 THR HA H 193 3.825 3.825 3.873 -0.048 25488 3439 1 6 . 1 1 193 193 THR H H 193 8.209 8.209 7.666 0.543 25488 3440 1 6 . 1 1 194 194 HIS N N 194 120.231 120.231 119.289 0.942 25488 3441 1 6 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.476 -0.243 25488 3442 1 6 . 1 1 194 194 HIS H H 194 7.805 7.805 8.073 -0.268 25488 3443 1 6 . 1 1 195 195 ALA N N 195 121.346 121.346 121.934 -0.588 25488 3444 1 6 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.201 -0.021 25488 3445 1 6 . 1 1 195 195 ALA H H 195 8.693 8.693 7.550 1.143 25488 3446 1 6 . 1 1 196 196 LEU N N 196 114.951 114.951 116.355 -1.404 25488 3447 1 6 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.401 -0.243 25488 3448 1 6 . 1 1 196 196 LEU H H 196 8.714 8.714 8.286 0.428 25488 3449 1 6 . 1 1 197 197 GLY N N 197 107.954 107.954 109.005 -1.051 25488 3450 1 6 . 1 1 197 197 GLY H H 197 7.540 7.540 8.184 -0.644 25488 3451 1 6 . 1 1 198 198 HIS N N 198 121.996 121.996 120.061 1.935 25488 3452 1 6 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.403 0.406 25488 3453 1 6 . 1 1 198 198 HIS H H 198 7.205 7.205 7.729 -0.524 25488 3454 1 6 . 1 1 199 199 SER N N 199 118.570 118.570 114.337 4.233 25488 3455 1 6 . 1 1 199 199 SER HA H 199 4.448 4.448 4.747 -0.299 25488 3456 1 6 . 1 1 199 199 SER H H 199 7.886 7.886 7.871 0.015 25488 3457 1 6 . 1 1 200 200 LEU N N 200 114.779 114.779 118.430 -3.651 25488 3458 1 6 . 1 1 200 200 LEU H H 200 7.106 7.106 7.417 -0.311 25488 3459 1 6 . 1 1 201 201 GLY N N 201 108.350 108.350 105.243 3.107 25488 3460 1 6 . 1 1 201 201 GLY H H 201 8.213 8.213 7.435 0.778 25488 3461 1 6 . 1 1 202 202 MET N N 202 119.623 119.623 120.098 -0.475 25488 3462 1 6 . 1 1 202 202 MET HA H 202 4.484 4.484 4.450 0.034 25488 3463 1 6 . 1 1 202 202 MET H H 202 8.189 8.189 7.703 0.486 25488 3464 1 6 . 1 1 203 203 GLY N N 203 109.770 109.770 108.533 1.237 25488 3465 1 6 . 1 1 203 203 GLY H H 203 8.413 8.413 8.283 0.130 25488 3466 1 6 . 1 1 204 204 HIS N N 204 115.793 115.793 118.430 -2.637 25488 3467 1 6 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.817 0.557 25488 3468 1 6 . 1 1 204 204 HIS H H 204 8.383 8.383 8.372 0.011 25488 3469 1 6 . 1 1 205 205 SER N N 205 115.497 115.497 117.729 -2.232 25488 3470 1 6 . 1 1 205 205 SER HA H 205 4.721 4.721 4.605 0.116 25488 3471 1 6 . 1 1 205 205 SER H H 205 7.223 7.223 8.660 -1.437 25488 3472 1 6 . 1 1 206 206 SER N N 206 119.268 119.268 116.203 3.065 25488 3473 1 6 . 1 1 206 206 SER HA H 206 3.721 3.721 4.726 -1.005 25488 3474 1 6 . 1 1 206 206 SER H H 206 8.290 8.290 8.563 -0.273 25488 3475 1 6 . 1 1 207 207 ASP N N 207 126.656 126.656 123.917 2.739 25488 3476 1 6 . 1 1 207 207 ASP H H 207 8.541 8.541 7.623 0.918 25488 3477 1 6 . 1 1 209 209 ASN N N 209 115.911 115.911 115.775 0.136 25488 3478 1 6 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.541 0.075 25488 3479 1 6 . 1 1 209 209 ASN H H 209 8.374 8.374 8.350 0.024 25488 3480 1 6 . 1 1 210 210 ALA N N 210 124.929 124.929 122.024 2.905 25488 3481 1 6 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.189 -0.035 25488 3482 1 6 . 1 1 210 210 ALA H H 210 8.182 8.182 7.107 1.075 25488 3483 1 6 . 1 1 211 211 VAL N N 211 130.383 130.383 121.262 9.121 25488 3484 1 6 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.968 0.282 25488 3485 1 6 . 1 1 211 211 VAL H H 211 11.554 11.554 8.827 2.727 25488 3486 1 6 . 1 1 212 212 MET N N 212 113.319 113.319 115.554 -2.235 25488 3487 1 6 . 1 1 212 212 MET H H 212 7.741 7.741 8.052 -0.311 25488 3488 1 6 . 1 1 213 213 TYR N N 213 130.006 130.006 122.721 7.285 25488 3489 1 6 . 1 1 213 213 TYR H H 213 7.899 7.899 7.670 0.229 25488 3490 1 6 . 1 1 215 215 THR N N 215 104.747 104.747 111.581 -6.834 25488 3491 1 6 . 1 1 215 215 THR HA H 215 4.404 4.404 3.330 1.073 25488 3492 1 6 . 1 1 215 215 THR H H 215 6.402 6.402 7.737 -1.335 25488 3493 1 6 . 1 1 216 216 TYR N N 216 124.699 124.699 122.289 2.410 25488 3494 1 6 . 1 1 216 216 TYR H H 216 8.341 8.341 7.994 0.347 25488 3495 1 6 . 1 1 217 217 GLY N N 217 116.288 116.288 108.171 8.117 25488 3496 1 6 . 1 1 217 217 GLY H H 217 7.685 7.685 8.722 -1.037 25488 3497 1 6 . 1 1 218 218 ASN N N 218 119.920 119.920 115.163 4.757 25488 3498 1 6 . 1 1 218 218 ASN HA H 218 4.620 4.620 5.074 -0.454 25488 3499 1 6 . 1 1 218 218 ASN H H 218 8.221 8.221 8.518 -0.297 25488 3500 1 6 . 1 1 219 219 GLY N N 219 109.601 109.601 107.472 2.129 25488 3501 1 6 . 1 1 219 219 GLY H H 219 8.072 8.072 7.815 0.257 25488 3502 1 6 . 1 1 220 220 ASP N N 220 123.006 123.006 121.462 1.544 25488 3503 1 6 . 1 1 220 220 ASP H H 220 8.280 8.280 8.264 0.016 25488 3504 1 6 . 1 1 222 222 GLN N N 222 116.642 116.642 122.929 -6.287 25488 3505 1 6 . 1 1 222 222 GLN H H 222 8.215 8.215 8.681 -0.466 25488 3506 1 6 . 1 1 223 223 ASN N N 223 118.361 118.361 117.396 0.965 25488 3507 1 6 . 1 1 223 223 ASN H H 223 7.970 7.970 8.256 -0.286 25488 3508 1 6 . 1 1 225 225 LYS N N 225 122.215 122.215 127.215 -5.000 25488 3509 1 6 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.361 0.055 25488 3510 1 6 . 1 1 225 225 LYS H H 225 7.656 7.656 7.725 -0.069 25488 3511 1 6 . 1 1 226 226 LEU N N 226 119.165 119.165 119.528 -0.363 25488 3512 1 6 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.588 -0.500 25488 3513 1 6 . 1 1 226 226 LEU H H 226 7.984 7.984 8.096 -0.112 25488 3514 1 6 . 1 1 227 227 SER N N 227 120.520 120.520 115.820 4.700 25488 3515 1 6 . 1 1 227 227 SER HA H 227 4.676 4.676 4.412 0.264 25488 3516 1 6 . 1 1 227 227 SER H H 227 9.646 9.646 8.632 1.014 25488 3517 1 6 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.237 0.437 25488 3518 1 6 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.494 -0.120 25488 3519 1 6 . 1 1 229 229 ASP H H 229 8.113 8.113 8.271 -0.158 25488 3520 1 6 . 1 1 230 230 ASP N N 230 119.878 119.878 118.844 1.034 25488 3521 1 6 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.462 -0.124 25488 3522 1 6 . 1 1 230 230 ASP H H 230 7.397 7.397 7.813 -0.416 25488 3523 1 6 . 1 1 231 231 ILE N N 231 120.389 120.389 119.163 1.226 25488 3524 1 6 . 1 1 231 231 ILE HA H 231 3.655 3.655 4.076 -0.421 25488 3525 1 6 . 1 1 231 231 ILE H H 231 8.100 8.100 7.227 0.873 25488 3526 1 6 . 1 1 232 232 LYS N N 232 119.084 119.084 120.420 -1.336 25488 3527 1 6 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.097 -0.002 25488 3528 1 6 . 1 1 232 232 LYS H H 232 8.581 8.581 7.790 0.791 25488 3529 1 6 . 1 1 233 233 GLY N N 233 106.424 106.424 106.179 0.245 25488 3530 1 6 . 1 1 233 233 GLY H H 233 8.061 8.061 8.101 -0.040 25488 3531 1 6 . 1 1 234 234 ILE N N 234 125.166 125.166 123.224 1.942 25488 3532 1 6 . 1 1 234 234 ILE H H 234 8.517 8.517 7.533 0.984 25488 3533 1 6 . 1 1 235 235 GLN N N 235 122.969 122.969 118.779 4.190 25488 3534 1 6 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.134 0.247 25488 3535 1 6 . 1 1 235 235 GLN H H 235 8.291 8.291 7.969 0.322 25488 3536 1 6 . 1 1 236 236 LYS N N 236 123.770 123.770 119.067 4.703 25488 3537 1 6 . 1 1 236 236 LYS H H 236 8.035 8.035 7.496 0.539 25488 3538 1 6 . 1 1 237 237 LEU N N 237 116.854 116.854 118.763 -1.909 25488 3539 1 6 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.939 0.020 25488 3540 1 6 . 1 1 237 237 LEU H H 237 6.886 6.886 7.433 -0.547 25488 3541 1 6 . 1 1 238 238 TYR N N 238 112.132 112.132 114.719 -2.587 25488 3542 1 6 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.692 -0.066 25488 3543 1 6 . 1 1 238 238 TYR H H 238 7.459 7.459 7.308 0.151 25488 3544 1 6 . 1 1 239 239 GLY N N 239 110.898 110.898 106.842 4.056 25488 3545 1 6 . 1 1 239 239 GLY H H 239 8.442 8.442 7.384 1.058 25488 3546 1 6 . 1 1 240 240 LYS N N 240 114.400 114.400 121.018 -6.618 25488 3547 1 6 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.548 0.256 25488 3548 1 6 . 1 1 240 240 LYS H H 240 7.865 7.865 8.517 -0.652 25488 3549 1 6 . 1 1 241 241 ARG N N 241 123.851 123.851 125.901 -2.050 25488 3550 1 6 . 1 1 241 241 ARG H H 241 7.760 7.760 8.654 -0.894 25488 3551 1 6 . 1 1 242 242 SER N N 242 135.647 135.647 117.528 18.119 25488 3552 1 6 . 1 1 242 242 SER H H 242 9.158 9.158 8.585 0.573 25488 3553 1 7 . 1 1 3 3 GLU N N 3 121.690 121.690 122.354 -0.664 25488 3554 1 7 . 1 1 3 3 GLU H H 3 8.332 8.332 9.048 -0.716 25488 3555 1 7 . 1 1 4 4 ALA N N 4 124.526 124.526 119.447 5.079 25488 3556 1 7 . 1 1 4 4 ALA H H 4 8.111 8.111 8.210 -0.099 25488 3557 1 7 . 1 1 5 5 GLY N N 5 108.229 108.229 104.790 3.439 25488 3558 1 7 . 1 1 5 5 GLY H H 5 8.286 8.286 7.651 0.635 25488 3559 1 7 . 1 1 6 6 GLY N N 6 108.867 108.867 108.632 0.235 25488 3560 1 7 . 1 1 6 6 GLY H H 6 8.239 8.239 7.908 0.331 25488 3561 1 7 . 1 1 7 7 MET N N 7 119.984 119.984 120.024 -0.040 25488 3562 1 7 . 1 1 7 7 MET H H 7 8.044 8.044 7.850 0.194 25488 3563 1 7 . 1 1 8 8 SER N N 8 118.771 118.771 115.936 2.835 25488 3564 1 7 . 1 1 8 8 SER HA H 8 4.239 4.239 4.554 -0.315 25488 3565 1 7 . 1 1 8 8 SER H H 8 8.738 8.738 8.227 0.511 25488 3566 1 7 . 1 1 9 9 GLU N N 9 122.551 122.551 121.828 0.723 25488 3567 1 7 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.109 0.143 25488 3568 1 7 . 1 1 9 9 GLU H H 9 8.919 8.919 9.008 -0.089 25488 3569 1 7 . 1 1 10 10 LEU N N 10 120.638 120.638 118.842 1.796 25488 3570 1 7 . 1 1 10 10 LEU H H 10 8.017 8.017 7.809 0.208 25488 3571 1 7 . 1 1 11 11 GLN N N 11 119.889 119.889 119.689 0.200 25488 3572 1 7 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.929 0.205 25488 3573 1 7 . 1 1 11 11 GLN H H 11 7.807 7.807 7.814 -0.007 25488 3574 1 7 . 1 1 12 12 TRP N N 12 120.951 120.951 122.881 -1.930 25488 3575 1 7 . 1 1 12 12 TRP H H 12 8.202 8.202 8.580 -0.378 25488 3576 1 7 . 1 1 13 13 GLU N N 13 121.870 121.870 117.534 4.336 25488 3577 1 7 . 1 1 13 13 GLU H H 13 8.436 8.436 7.884 0.552 25488 3578 1 7 . 1 1 14 14 GLN N N 14 120.646 120.646 117.928 2.718 25488 3579 1 7 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.186 -0.017 25488 3580 1 7 . 1 1 14 14 GLN H H 14 8.159 8.159 7.943 0.216 25488 3581 1 7 . 1 1 15 15 ALA N N 15 123.216 123.216 123.156 0.060 25488 3582 1 7 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.002 0.336 25488 3583 1 7 . 1 1 15 15 ALA H H 15 8.355 8.355 7.848 0.507 25488 3584 1 7 . 1 1 16 16 GLN N N 16 117.766 117.766 115.970 1.796 25488 3585 1 7 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.998 -0.293 25488 3586 1 7 . 1 1 16 16 GLN H H 16 8.440 8.440 8.106 0.334 25488 3587 1 7 . 1 1 17 17 ASP N N 17 120.090 120.090 118.655 1.435 25488 3588 1 7 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.405 0.058 25488 3589 1 7 . 1 1 17 17 ASP H H 17 7.899 7.899 7.810 0.089 25488 3590 1 7 . 1 1 18 18 TYR N N 18 122.296 122.296 119.652 2.644 25488 3591 1 7 . 1 1 18 18 TYR H H 18 8.264 8.264 7.354 0.910 25488 3592 1 7 . 1 1 19 19 LEU N N 19 117.675 117.675 117.031 0.644 25488 3593 1 7 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.330 0.795 25488 3594 1 7 . 1 1 19 19 LEU H H 19 8.687 8.687 7.564 1.123 25488 3595 1 7 . 1 1 20 20 LYS N N 20 124.620 124.620 119.382 5.238 25488 3596 1 7 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.061 0.082 25488 3597 1 7 . 1 1 20 20 LYS H H 20 8.790 8.790 7.443 1.347 25488 3598 1 7 . 1 1 21 21 ARG N N 21 117.608 117.608 117.201 0.407 25488 3599 1 7 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.866 -0.169 25488 3600 1 7 . 1 1 21 21 ARG H H 21 7.835 7.835 6.984 0.851 25488 3601 1 7 . 1 1 22 22 PHE N N 22 112.136 112.136 117.469 -5.333 25488 3602 1 7 . 1 1 22 22 PHE H H 22 8.003 8.003 6.853 1.150 25488 3603 1 7 . 1 1 23 23 TYR N N 23 116.244 116.244 115.718 0.526 25488 3604 1 7 . 1 1 23 23 TYR H H 23 7.678 7.678 7.833 -0.155 25488 3605 1 7 . 1 1 24 24 LEU N N 24 115.582 115.582 116.643 -1.061 25488 3606 1 7 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.913 0.222 25488 3607 1 7 . 1 1 24 24 LEU H H 24 7.238 7.238 7.531 -0.293 25488 3608 1 7 . 1 1 25 25 TYR N N 25 119.996 119.996 114.249 5.747 25488 3609 1 7 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.863 -0.458 25488 3610 1 7 . 1 1 25 25 TYR H H 25 7.826 7.826 7.089 0.737 25488 3611 1 7 . 1 1 26 26 ASP N N 26 129.292 129.292 121.919 7.373 25488 3612 1 7 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.711 -0.250 25488 3613 1 7 . 1 1 26 26 ASP H H 26 8.121 8.121 8.320 -0.199 25488 3614 1 7 . 1 1 28 28 GLU N N 28 122.115 122.115 121.015 1.100 25488 3615 1 7 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.403 -0.122 25488 3616 1 7 . 1 1 28 28 GLU H H 28 8.262 8.262 8.016 0.246 25488 3617 1 7 . 1 1 29 29 THR N N 29 114.171 114.171 115.763 -1.592 25488 3618 1 7 . 1 1 29 29 THR HA H 29 4.222 4.222 4.130 0.092 25488 3619 1 7 . 1 1 29 29 THR H H 29 7.496 7.496 8.077 -0.581 25488 3620 1 7 . 1 1 30 30 LYS N N 30 123.019 123.019 121.834 1.185 25488 3621 1 7 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.109 0.109 25488 3622 1 7 . 1 1 30 30 LYS H H 30 8.154 8.154 7.583 0.571 25488 3623 1 7 . 1 1 32 32 ALA N N 32 126.481 126.481 126.633 -0.152 25488 3624 1 7 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.083 0.167 25488 3625 1 7 . 1 1 32 32 ALA H H 32 8.424 8.424 8.703 -0.279 25488 3626 1 7 . 1 1 33 33 ASN N N 33 116.834 116.834 114.983 1.851 25488 3627 1 7 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.660 0.038 25488 3628 1 7 . 1 1 33 33 ASN H H 33 8.312 8.312 8.594 -0.282 25488 3629 1 7 . 1 1 34 34 SER N N 34 116.960 116.960 115.567 1.393 25488 3630 1 7 . 1 1 34 34 SER HA H 34 4.522 4.522 4.479 0.043 25488 3631 1 7 . 1 1 34 34 SER H H 34 8.112 8.112 7.628 0.484 25488 3632 1 7 . 1 1 35 35 LEU N N 35 125.335 125.335 124.196 1.139 25488 3633 1 7 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.303 -0.752 25488 3634 1 7 . 1 1 35 35 LEU H H 35 8.324 8.324 8.475 -0.151 25488 3635 1 7 . 1 1 36 36 GLU N N 36 119.302 119.302 120.715 -1.413 25488 3636 1 7 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.927 0.016 25488 3637 1 7 . 1 1 36 36 GLU H H 36 8.239 8.239 8.320 -0.081 25488 3638 1 7 . 1 1 37 37 ALA N N 37 120.683 120.683 120.627 0.056 25488 3639 1 7 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.027 0.020 25488 3640 1 7 . 1 1 37 37 ALA H H 37 7.898 7.898 8.002 -0.104 25488 3641 1 7 . 1 1 38 38 LYS N N 38 119.470 119.470 119.750 -0.280 25488 3642 1 7 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.078 0.255 25488 3643 1 7 . 1 1 38 38 LYS H H 38 8.217 8.217 7.980 0.237 25488 3644 1 7 . 1 1 39 39 LEU N N 39 122.664 122.664 119.755 2.909 25488 3645 1 7 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.171 -0.257 25488 3646 1 7 . 1 1 39 39 LEU H H 39 8.658 8.658 8.659 -0.001 25488 3647 1 7 . 1 1 40 40 LYS N N 40 118.301 118.301 120.276 -1.975 25488 3648 1 7 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.947 0.726 25488 3649 1 7 . 1 1 40 40 LYS H H 40 8.221 8.221 7.731 0.490 25488 3650 1 7 . 1 1 41 41 GLU N N 41 121.462 121.462 119.340 2.122 25488 3651 1 7 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.128 -0.060 25488 3652 1 7 . 1 1 41 41 GLU H H 41 7.736 7.736 7.947 -0.211 25488 3653 1 7 . 1 1 42 42 MET N N 42 123.761 123.761 119.677 4.084 25488 3654 1 7 . 1 1 42 42 MET HA H 42 4.046 4.046 4.268 -0.222 25488 3655 1 7 . 1 1 42 42 MET H H 42 7.672 7.672 8.216 -0.544 25488 3656 1 7 . 1 1 43 43 GLN N N 43 120.035 120.035 118.501 1.534 25488 3657 1 7 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.946 -0.150 25488 3658 1 7 . 1 1 43 43 GLN H H 43 8.904 8.904 8.411 0.493 25488 3659 1 7 . 1 1 44 44 LYS N N 44 119.131 119.131 119.338 -0.207 25488 3660 1 7 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.087 -0.035 25488 3661 1 7 . 1 1 44 44 LYS H H 44 8.511 8.511 7.760 0.751 25488 3662 1 7 . 1 1 45 45 PHE N N 45 123.544 123.544 118.773 4.771 25488 3663 1 7 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.282 -0.432 25488 3664 1 7 . 1 1 45 45 PHE H H 45 8.438 8.438 7.737 0.701 25488 3665 1 7 . 1 1 46 46 PHE N N 46 112.789 112.789 116.022 -3.233 25488 3666 1 7 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.492 0.090 25488 3667 1 7 . 1 1 46 46 PHE H H 46 8.273 8.273 8.512 -0.239 25488 3668 1 7 . 1 1 47 47 GLY N N 47 110.408 110.408 106.423 3.985 25488 3669 1 7 . 1 1 47 47 GLY H H 47 7.922 7.922 7.730 0.192 25488 3670 1 7 . 1 1 48 48 LEU N N 48 121.853 121.853 123.599 -1.746 25488 3671 1 7 . 1 1 48 48 LEU H H 48 8.747 8.747 8.019 0.728 25488 3672 1 7 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.372 -0.171 25488 3673 1 7 . 1 1 50 50 ILE N N 50 127.000 127.000 120.182 6.818 25488 3674 1 7 . 1 1 50 50 ILE H H 50 8.529 8.529 7.871 0.658 25488 3675 1 7 . 1 1 51 51 THR N N 51 116.519 116.519 117.111 -0.592 25488 3676 1 7 . 1 1 51 51 THR H H 51 7.980 7.980 8.490 -0.510 25488 3677 1 7 . 1 1 52 52 GLY N N 52 112.725 112.725 113.340 -0.615 25488 3678 1 7 . 1 1 52 52 GLY H H 52 9.483 9.483 8.699 0.784 25488 3679 1 7 . 1 1 53 53 MET N N 53 116.735 116.735 120.248 -3.513 25488 3680 1 7 . 1 1 53 53 MET HA H 53 4.044 4.044 4.598 -0.554 25488 3681 1 7 . 1 1 53 53 MET H H 53 7.969 7.969 8.536 -0.567 25488 3682 1 7 . 1 1 54 54 LEU N N 54 122.602 122.602 125.454 -2.852 25488 3683 1 7 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.620 -0.914 25488 3684 1 7 . 1 1 54 54 LEU H H 54 7.926 7.926 8.356 -0.430 25488 3685 1 7 . 1 1 55 55 ASN N N 55 115.755 115.755 121.326 -5.571 25488 3686 1 7 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.948 -0.208 25488 3687 1 7 . 1 1 55 55 ASN H H 55 6.555 6.555 8.366 -1.811 25488 3688 1 7 . 1 1 56 56 SER N N 56 121.450 121.450 117.131 4.319 25488 3689 1 7 . 1 1 56 56 SER HA H 56 4.662 4.662 4.181 0.481 25488 3690 1 7 . 1 1 56 56 SER H H 56 8.205 8.205 8.981 -0.776 25488 3691 1 7 . 1 1 57 57 ARG N N 57 123.219 123.219 121.591 1.628 25488 3692 1 7 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.247 -0.041 25488 3693 1 7 . 1 1 57 57 ARG H H 57 7.883 7.883 8.329 -0.446 25488 3694 1 7 . 1 1 58 58 VAL N N 58 118.843 118.843 118.413 0.430 25488 3695 1 7 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.770 -0.470 25488 3696 1 7 . 1 1 58 58 VAL H H 58 7.594 7.594 8.058 -0.464 25488 3697 1 7 . 1 1 59 59 ILE N N 59 119.212 119.212 119.258 -0.046 25488 3698 1 7 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.411 0.058 25488 3699 1 7 . 1 1 59 59 ILE H H 59 7.326 7.326 7.290 0.036 25488 3700 1 7 . 1 1 60 60 GLU N N 60 119.544 119.544 120.539 -0.995 25488 3701 1 7 . 1 1 60 60 GLU H H 60 7.880 7.880 7.450 0.430 25488 3702 1 7 . 1 1 61 61 ILE N N 61 118.812 118.812 115.475 3.337 25488 3703 1 7 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.249 0.193 25488 3704 1 7 . 1 1 61 61 ILE H H 61 7.217 7.217 7.104 0.113 25488 3705 1 7 . 1 1 62 62 MET N N 62 120.202 120.202 117.258 2.944 25488 3706 1 7 . 1 1 62 62 MET HA H 62 3.419 3.419 4.137 -0.718 25488 3707 1 7 . 1 1 62 62 MET H H 62 7.820 7.820 7.014 0.806 25488 3708 1 7 . 1 1 63 63 GLN N N 63 116.274 116.274 114.470 1.804 25488 3709 1 7 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.373 -0.132 25488 3710 1 7 . 1 1 63 63 GLN H H 63 7.442 7.442 7.741 -0.299 25488 3711 1 7 . 1 1 64 64 LYS N N 64 121.450 121.450 121.884 -0.434 25488 3712 1 7 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.282 0.217 25488 3713 1 7 . 1 1 64 64 LYS H H 64 7.474 7.474 7.079 0.395 25488 3714 1 7 . 1 1 66 66 ARG N N 66 113.173 113.173 118.657 -5.484 25488 3715 1 7 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.281 0.158 25488 3716 1 7 . 1 1 66 66 ARG H H 66 8.151 8.151 7.527 0.624 25488 3717 1 7 . 1 1 67 67 CYS N N 67 121.794 121.794 118.285 3.509 25488 3718 1 7 . 1 1 67 67 CYS HA H 67 4.420 4.420 5.126 -0.706 25488 3719 1 7 . 1 1 67 67 CYS H H 67 7.709 7.709 8.186 -0.477 25488 3720 1 7 . 1 1 68 68 GLY N N 68 116.255 116.255 114.864 1.391 25488 3721 1 7 . 1 1 68 68 GLY H H 68 9.707 9.707 8.736 0.971 25488 3722 1 7 . 1 1 69 69 VAL N N 69 126.541 126.541 115.318 11.223 25488 3723 1 7 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.423 -0.616 25488 3724 1 7 . 1 1 69 69 VAL H H 69 9.118 9.118 7.112 2.006 25488 3725 1 7 . 1 1 71 71 ASP N N 71 119.114 119.114 126.231 -7.117 25488 3726 1 7 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.561 -0.078 25488 3727 1 7 . 1 1 71 71 ASP H H 71 8.067 8.067 8.759 -0.692 25488 3728 1 7 . 1 1 72 72 VAL N N 72 112.988 112.988 117.924 -4.936 25488 3729 1 7 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.216 0.065 25488 3730 1 7 . 1 1 72 72 VAL H H 72 6.438 6.438 7.069 -0.631 25488 3731 1 7 . 1 1 73 73 ALA N N 73 125.902 125.902 125.913 -0.011 25488 3732 1 7 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.366 -0.099 25488 3733 1 7 . 1 1 73 73 ALA H H 73 8.171 8.171 8.403 -0.232 25488 3734 1 7 . 1 1 74 74 GLU N N 74 120.835 120.835 124.396 -3.561 25488 3735 1 7 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.315 -0.232 25488 3736 1 7 . 1 1 74 74 GLU H H 74 8.385 8.385 8.033 0.352 25488 3737 1 7 . 1 1 75 75 TYR N N 75 121.820 121.820 119.239 2.581 25488 3738 1 7 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.225 0.169 25488 3739 1 7 . 1 1 75 75 TYR H H 75 8.102 8.102 8.981 -0.879 25488 3740 1 7 . 1 1 76 76 SER N N 76 117.881 117.881 115.370 2.511 25488 3741 1 7 . 1 1 76 76 SER H H 76 7.718 7.718 8.668 -0.950 25488 3742 1 7 . 1 1 77 77 LEU N N 77 123.835 123.835 121.500 2.335 25488 3743 1 7 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.632 -0.540 25488 3744 1 7 . 1 1 77 77 LEU H H 77 8.033 8.033 7.595 0.438 25488 3745 1 7 . 1 1 78 78 PHE N N 78 118.893 118.893 120.122 -1.229 25488 3746 1 7 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.056 -0.211 25488 3747 1 7 . 1 1 78 78 PHE H H 78 7.822 7.822 8.385 -0.563 25488 3748 1 7 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.538 -0.207 25488 3749 1 7 . 1 1 80 80 ASN N N 80 118.184 118.184 122.379 -4.195 25488 3750 1 7 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.701 -0.021 25488 3751 1 7 . 1 1 80 80 ASN H H 80 8.106 8.106 7.506 0.600 25488 3752 1 7 . 1 1 81 81 SER HA H 81 4.636 4.636 4.418 0.218 25488 3753 1 7 . 1 1 83 83 LYS N N 83 114.696 114.696 118.305 -3.609 25488 3754 1 7 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.629 -0.406 25488 3755 1 7 . 1 1 83 83 LYS H H 83 7.361 7.361 7.884 -0.523 25488 3756 1 7 . 1 1 84 84 TRP N N 84 122.459 122.459 121.382 1.077 25488 3757 1 7 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.846 -0.843 25488 3758 1 7 . 1 1 84 84 TRP H H 84 8.020 8.020 8.442 -0.422 25488 3759 1 7 . 1 1 85 85 THR N N 85 113.482 113.482 117.158 -3.676 25488 3760 1 7 . 1 1 85 85 THR HA H 85 4.586 4.586 4.302 0.284 25488 3761 1 7 . 1 1 85 85 THR H H 85 8.833 8.833 8.569 0.264 25488 3762 1 7 . 1 1 86 86 SER N N 86 117.316 117.316 115.120 2.196 25488 3763 1 7 . 1 1 86 86 SER HA H 86 4.665 4.665 4.711 -0.046 25488 3764 1 7 . 1 1 86 86 SER H H 86 7.724 7.724 7.683 0.041 25488 3765 1 7 . 1 1 87 87 LYS N N 87 120.411 120.411 121.919 -1.508 25488 3766 1 7 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.365 -0.226 25488 3767 1 7 . 1 1 87 87 LYS H H 87 8.312 8.312 8.485 -0.173 25488 3768 1 7 . 1 1 88 88 VAL N N 88 117.674 117.674 121.244 -3.570 25488 3769 1 7 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.522 0.129 25488 3770 1 7 . 1 1 88 88 VAL H H 88 7.425 7.425 7.562 -0.137 25488 3771 1 7 . 1 1 89 89 VAL N N 89 131.493 131.493 129.114 2.379 25488 3772 1 7 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.374 -0.233 25488 3773 1 7 . 1 1 89 89 VAL H H 89 8.574 8.574 8.537 0.037 25488 3774 1 7 . 1 1 90 90 THR N N 90 118.245 118.245 119.312 -1.067 25488 3775 1 7 . 1 1 90 90 THR HA H 90 5.627 5.627 5.468 0.159 25488 3776 1 7 . 1 1 90 90 THR H H 90 9.021 9.021 8.504 0.517 25488 3777 1 7 . 1 1 91 91 TYR N N 91 118.267 118.267 118.982 -0.715 25488 3778 1 7 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.792 -0.118 25488 3779 1 7 . 1 1 91 91 TYR H H 91 8.555 8.555 8.980 -0.425 25488 3780 1 7 . 1 1 92 92 ARG N N 92 120.260 120.260 120.967 -0.707 25488 3781 1 7 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.917 -0.271 25488 3782 1 7 . 1 1 92 92 ARG H H 92 8.513 8.513 8.290 0.223 25488 3783 1 7 . 1 1 93 93 ILE N N 93 128.361 128.361 128.113 0.248 25488 3784 1 7 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.628 -0.009 25488 3785 1 7 . 1 1 93 93 ILE H H 93 8.878 8.878 8.995 -0.117 25488 3786 1 7 . 1 1 94 94 VAL N N 94 126.374 126.374 128.700 -2.326 25488 3787 1 7 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.040 -0.040 25488 3788 1 7 . 1 1 94 94 VAL H H 94 9.492 9.492 8.960 0.532 25488 3789 1 7 . 1 1 95 95 SER N N 95 113.303 113.303 113.923 -0.620 25488 3790 1 7 . 1 1 95 95 SER HA H 95 4.705 4.705 4.802 -0.097 25488 3791 1 7 . 1 1 95 95 SER H H 95 7.431 7.431 7.671 -0.240 25488 3792 1 7 . 1 1 96 96 TYR N N 96 117.054 117.054 119.973 -2.919 25488 3793 1 7 . 1 1 96 96 TYR H H 96 8.255 8.255 7.822 0.433 25488 3794 1 7 . 1 1 98 98 ARG N N 98 128.445 128.445 122.621 5.824 25488 3795 1 7 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.135 0.203 25488 3796 1 7 . 1 1 98 98 ARG H H 98 8.964 8.964 8.262 0.702 25488 3797 1 7 . 1 1 99 99 ASP N N 99 120.412 120.412 119.973 0.439 25488 3798 1 7 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.450 -0.115 25488 3799 1 7 . 1 1 99 99 ASP H H 99 8.695 8.695 8.558 0.137 25488 3800 1 7 . 1 1 100 100 LEU N N 100 116.851 116.851 120.171 -3.320 25488 3801 1 7 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.855 0.078 25488 3802 1 7 . 1 1 100 100 LEU H H 100 6.902 6.902 7.623 -0.721 25488 3803 1 7 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.537 0.630 25488 3804 1 7 . 1 1 103 103 ILE N N 103 115.469 115.469 113.588 1.881 25488 3805 1 7 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.647 0.526 25488 3806 1 7 . 1 1 103 103 ILE H H 103 8.296 8.296 8.067 0.229 25488 3807 1 7 . 1 1 104 104 THR N N 104 119.413 119.413 113.172 6.241 25488 3808 1 7 . 1 1 104 104 THR HA H 104 4.019 4.019 3.978 0.041 25488 3809 1 7 . 1 1 104 104 THR H H 104 6.915 6.915 7.983 -1.068 25488 3810 1 7 . 1 1 105 105 VAL N N 105 123.232 123.232 121.360 1.872 25488 3811 1 7 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.400 0.014 25488 3812 1 7 . 1 1 105 105 VAL H H 105 7.379 7.379 7.151 0.228 25488 3813 1 7 . 1 1 106 106 ASP N N 106 120.160 120.160 119.741 0.419 25488 3814 1 7 . 1 1 106 106 ASP H H 106 8.615 8.615 8.238 0.377 25488 3815 1 7 . 1 1 107 107 ARG N N 107 121.041 121.041 117.856 3.185 25488 3816 1 7 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.031 0.059 25488 3817 1 7 . 1 1 107 107 ARG H H 107 8.372 8.372 7.829 0.543 25488 3818 1 7 . 1 1 108 108 LEU N N 108 121.644 121.644 118.439 3.205 25488 3819 1 7 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.316 -0.063 25488 3820 1 7 . 1 1 108 108 LEU H H 108 8.768 8.768 7.426 1.342 25488 3821 1 7 . 1 1 109 109 VAL N N 109 120.347 120.347 117.075 3.272 25488 3822 1 7 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.649 -0.278 25488 3823 1 7 . 1 1 109 109 VAL H H 109 8.762 8.762 8.634 0.128 25488 3824 1 7 . 1 1 110 110 SER N N 110 112.949 112.949 117.033 -4.084 25488 3825 1 7 . 1 1 110 110 SER HA H 110 4.270 4.270 3.995 0.275 25488 3826 1 7 . 1 1 110 110 SER H H 110 7.605 7.605 7.741 -0.136 25488 3827 1 7 . 1 1 111 111 LYS N N 111 122.434 122.434 121.162 1.272 25488 3828 1 7 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.210 -0.168 25488 3829 1 7 . 1 1 111 111 LYS H H 111 8.146 8.146 7.700 0.446 25488 3830 1 7 . 1 1 112 112 ALA N N 112 124.099 124.099 122.607 1.492 25488 3831 1 7 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.156 -0.079 25488 3832 1 7 . 1 1 112 112 ALA H H 112 8.270 8.270 7.563 0.707 25488 3833 1 7 . 1 1 113 113 LEU N N 113 116.251 116.251 118.223 -1.972 25488 3834 1 7 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.766 -0.044 25488 3835 1 7 . 1 1 113 113 LEU H H 113 8.019 8.019 7.595 0.424 25488 3836 1 7 . 1 1 114 114 ASN N N 114 116.659 116.659 116.496 0.163 25488 3837 1 7 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.556 -0.027 25488 3838 1 7 . 1 1 114 114 ASN H H 114 8.197 8.197 7.928 0.269 25488 3839 1 7 . 1 1 115 115 MET N N 115 122.118 122.118 119.555 2.563 25488 3840 1 7 . 1 1 115 115 MET HA H 115 4.013 4.013 4.070 -0.057 25488 3841 1 7 . 1 1 115 115 MET H H 115 7.918 7.918 7.429 0.489 25488 3842 1 7 . 1 1 116 116 TRP N N 116 117.117 117.117 117.355 -0.238 25488 3843 1 7 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.538 -0.028 25488 3844 1 7 . 1 1 116 116 TRP H H 116 6.773 6.773 7.470 -0.697 25488 3845 1 7 . 1 1 117 117 GLY N N 117 104.656 104.656 105.680 -1.024 25488 3846 1 7 . 1 1 117 117 GLY H H 117 9.305 9.305 8.522 0.783 25488 3847 1 7 . 1 1 118 118 LYS N N 118 118.567 118.567 118.952 -0.385 25488 3848 1 7 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.307 -0.130 25488 3849 1 7 . 1 1 118 118 LYS H H 118 7.947 7.947 7.930 0.017 25488 3850 1 7 . 1 1 119 119 GLU N N 119 113.899 113.899 118.766 -4.867 25488 3851 1 7 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.455 0.353 25488 3852 1 7 . 1 1 119 119 GLU H H 119 7.773 7.773 7.669 0.104 25488 3853 1 7 . 1 1 120 120 ILE N N 120 111.215 111.215 119.593 -8.378 25488 3854 1 7 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.739 0.582 25488 3855 1 7 . 1 1 120 120 ILE H H 120 7.528 7.528 8.272 -0.744 25488 3856 1 7 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.462 0.159 25488 3857 1 7 . 1 1 122 122 LEU N N 122 121.481 121.481 121.053 0.428 25488 3858 1 7 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.079 0.213 25488 3859 1 7 . 1 1 122 122 LEU H H 122 6.815 6.815 7.735 -0.920 25488 3860 1 7 . 1 1 123 123 HIS N N 123 120.769 120.769 122.107 -1.338 25488 3861 1 7 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.680 -0.088 25488 3862 1 7 . 1 1 123 123 HIS H H 123 7.709 7.709 8.766 -1.057 25488 3863 1 7 . 1 1 124 124 PHE N N 124 120.530 120.530 124.672 -4.142 25488 3864 1 7 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.287 0.525 25488 3865 1 7 . 1 1 124 124 PHE H H 124 8.306 8.306 8.546 -0.240 25488 3866 1 7 . 1 1 125 125 ARG N N 125 123.891 123.891 125.273 -1.382 25488 3867 1 7 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.775 -0.122 25488 3868 1 7 . 1 1 125 125 ARG H H 125 8.408 8.408 8.877 -0.469 25488 3869 1 7 . 1 1 126 126 LYS N N 126 130.178 130.178 125.220 4.958 25488 3870 1 7 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.644 -0.283 25488 3871 1 7 . 1 1 126 126 LYS H H 126 8.468 8.468 8.489 -0.021 25488 3872 1 7 . 1 1 127 127 VAL N N 127 125.180 125.180 126.802 -1.622 25488 3873 1 7 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.146 0.362 25488 3874 1 7 . 1 1 127 127 VAL H H 127 8.679 8.679 8.709 -0.030 25488 3875 1 7 . 1 1 128 128 VAL N N 128 117.584 117.584 121.287 -3.703 25488 3876 1 7 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.317 -0.031 25488 3877 1 7 . 1 1 128 128 VAL H H 128 8.469 8.469 8.239 0.230 25488 3878 1 7 . 1 1 129 129 TRP N N 129 119.805 119.805 118.540 1.265 25488 3879 1 7 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.886 -0.200 25488 3880 1 7 . 1 1 129 129 TRP H H 129 7.447 7.447 7.306 0.141 25488 3881 1 7 . 1 1 130 130 GLY N N 130 109.844 109.844 111.527 -1.683 25488 3882 1 7 . 1 1 130 130 GLY H H 130 8.072 8.072 8.398 -0.326 25488 3883 1 7 . 1 1 131 131 THR N N 131 116.125 116.125 112.880 3.245 25488 3884 1 7 . 1 1 131 131 THR HA H 131 4.123 4.123 4.489 -0.366 25488 3885 1 7 . 1 1 131 131 THR H H 131 8.196 8.196 8.102 0.094 25488 3886 1 7 . 1 1 132 132 ALA N N 132 129.613 129.613 127.118 2.495 25488 3887 1 7 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.456 0.055 25488 3888 1 7 . 1 1 132 132 ALA H H 132 7.919 7.919 8.259 -0.340 25488 3889 1 7 . 1 1 133 133 ASP N N 133 123.004 123.004 122.349 0.655 25488 3890 1 7 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.610 -0.168 25488 3891 1 7 . 1 1 133 133 ASP H H 133 8.248 8.248 8.261 -0.013 25488 3892 1 7 . 1 1 134 134 ILE N N 134 125.478 125.478 121.291 4.187 25488 3893 1 7 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.507 -0.414 25488 3894 1 7 . 1 1 134 134 ILE H H 134 8.804 8.804 7.654 1.150 25488 3895 1 7 . 1 1 135 135 MET N N 135 127.471 127.471 126.527 0.944 25488 3896 1 7 . 1 1 135 135 MET HA H 135 5.194 5.194 5.172 0.022 25488 3897 1 7 . 1 1 135 135 MET H H 135 7.437 7.437 9.521 -2.084 25488 3898 1 7 . 1 1 136 136 ILE N N 136 125.040 125.040 124.135 0.905 25488 3899 1 7 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.060 0.517 25488 3900 1 7 . 1 1 136 136 ILE H H 136 9.085 9.085 8.807 0.278 25488 3901 1 7 . 1 1 137 137 GLY N N 137 112.059 112.059 114.288 -2.229 25488 3902 1 7 . 1 1 137 137 GLY H H 137 8.568 8.568 8.610 -0.042 25488 3903 1 7 . 1 1 138 138 PHE N N 138 119.447 119.447 120.994 -1.547 25488 3904 1 7 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.389 0.065 25488 3905 1 7 . 1 1 138 138 PHE H H 138 7.861 7.861 8.717 -0.856 25488 3906 1 7 . 1 1 139 139 ALA N N 139 123.657 123.657 127.063 -3.406 25488 3907 1 7 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.813 -0.078 25488 3908 1 7 . 1 1 139 139 ALA H H 139 8.939 8.939 9.043 -0.104 25488 3909 1 7 . 1 1 140 140 ARG N N 140 118.688 118.688 121.962 -3.274 25488 3910 1 7 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.797 0.277 25488 3911 1 7 . 1 1 140 140 ARG H H 140 8.563 8.563 8.549 0.014 25488 3912 1 7 . 1 1 141 141 GLY N N 141 108.964 108.964 113.116 -4.152 25488 3913 1 7 . 1 1 141 141 GLY H H 141 9.018 9.018 9.324 -0.306 25488 3914 1 7 . 1 1 143 143 HIS N N 143 120.218 120.218 115.947 4.271 25488 3915 1 7 . 1 1 143 143 HIS H H 143 8.998 8.998 7.735 1.263 25488 3916 1 7 . 1 1 145 145 ASP N N 145 117.684 117.684 122.099 -4.415 25488 3917 1 7 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.968 -0.268 25488 3918 1 7 . 1 1 145 145 ASP H H 145 7.088 7.088 8.272 -1.184 25488 3919 1 7 . 1 1 146 146 SER HA H 146 4.140 4.140 4.330 -0.190 25488 3920 1 7 . 1 1 146 146 SER H H 146 8.220 8.220 8.389 -0.169 25488 3921 1 7 . 1 1 147 147 TYR N N 147 120.867 120.867 117.150 3.717 25488 3922 1 7 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.273 0.515 25488 3923 1 7 . 1 1 147 147 TYR H H 147 7.459 7.459 8.079 -0.620 25488 3924 1 7 . 1 1 149 149 PHE N N 149 120.630 120.630 121.739 -1.109 25488 3925 1 7 . 1 1 149 149 PHE H H 149 8.018 8.018 8.279 -0.261 25488 3926 1 7 . 1 1 150 150 ASP N N 150 115.626 115.626 117.948 -2.322 25488 3927 1 7 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.147 0.696 25488 3928 1 7 . 1 1 150 150 ASP H H 150 7.543 7.543 6.982 0.561 25488 3929 1 7 . 1 1 151 151 GLY N N 151 110.700 110.700 107.918 2.782 25488 3930 1 7 . 1 1 151 151 GLY H H 151 9.074 9.074 8.349 0.725 25488 3931 1 7 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.411 -0.385 25488 3932 1 7 . 1 1 153 153 GLY N N 153 118.786 118.786 111.832 6.954 25488 3933 1 7 . 1 1 153 153 GLY H H 153 11.385 11.385 8.150 3.235 25488 3934 1 7 . 1 1 154 154 ASN N N 154 120.613 120.613 118.443 2.170 25488 3935 1 7 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.268 -0.070 25488 3936 1 7 . 1 1 154 154 ASN H H 154 9.225 9.225 8.326 0.899 25488 3937 1 7 . 1 1 155 155 THR N N 155 118.700 118.700 114.473 4.227 25488 3938 1 7 . 1 1 155 155 THR HA H 155 5.542 5.542 4.363 1.179 25488 3939 1 7 . 1 1 155 155 THR H H 155 9.519 9.519 8.503 1.016 25488 3940 1 7 . 1 1 156 156 LEU N N 156 122.765 122.765 118.035 4.730 25488 3941 1 7 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.806 0.136 25488 3942 1 7 . 1 1 156 156 LEU H H 156 8.500 8.500 8.272 0.228 25488 3943 1 7 . 1 1 157 157 ALA N N 157 115.545 115.545 120.898 -5.353 25488 3944 1 7 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.540 0.467 25488 3945 1 7 . 1 1 157 157 ALA H H 157 7.545 7.545 7.376 0.169 25488 3946 1 7 . 1 1 158 158 HIS N N 158 111.868 111.868 117.482 -5.614 25488 3947 1 7 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.713 -0.096 25488 3948 1 7 . 1 1 158 158 HIS H H 158 8.774 8.774 8.661 0.113 25488 3949 1 7 . 1 1 159 159 ALA N N 159 118.565 118.565 125.045 -6.480 25488 3950 1 7 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.989 -0.332 25488 3951 1 7 . 1 1 159 159 ALA H H 159 6.114 6.114 8.091 -1.977 25488 3952 1 7 . 1 1 160 160 PHE N N 160 118.042 118.042 119.155 -1.113 25488 3953 1 7 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.974 -0.493 25488 3954 1 7 . 1 1 160 160 PHE H H 160 7.897 7.897 8.608 -0.711 25488 3955 1 7 . 1 1 161 161 ALA N N 161 123.548 123.548 123.399 0.149 25488 3956 1 7 . 1 1 161 161 ALA HA H 161 4.483 4.483 5.030 -0.547 25488 3957 1 7 . 1 1 161 161 ALA H H 161 8.089 8.089 8.991 -0.902 25488 3958 1 7 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.163 -0.292 25488 3959 1 7 . 1 1 163 163 GLY N N 163 107.255 107.255 108.161 -0.906 25488 3960 1 7 . 1 1 163 163 GLY H H 163 5.992 5.992 7.028 -1.036 25488 3961 1 7 . 1 1 165 165 GLY H H 165 9.149 9.149 7.711 1.438 25488 3962 1 7 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.090 0.063 25488 3963 1 7 . 1 1 167 167 GLY N N 167 103.338 103.338 103.201 0.137 25488 3964 1 7 . 1 1 167 167 GLY H H 167 7.774 7.774 7.401 0.373 25488 3965 1 7 . 1 1 168 168 GLY N N 168 121.031 121.031 110.136 10.895 25488 3966 1 7 . 1 1 168 168 GLY H H 168 7.685 7.685 8.937 -1.252 25488 3967 1 7 . 1 1 169 169 ASP N N 169 123.703 123.703 124.539 -0.836 25488 3968 1 7 . 1 1 169 169 ASP H H 169 8.578 8.578 7.988 0.590 25488 3969 1 7 . 1 1 170 170 ALA N N 170 119.569 119.569 122.323 -2.754 25488 3970 1 7 . 1 1 170 170 ALA HA H 170 4.704 4.704 5.149 -0.445 25488 3971 1 7 . 1 1 170 170 ALA H H 170 8.371 8.371 9.029 -0.658 25488 3972 1 7 . 1 1 171 171 HIS N N 171 120.286 120.286 120.373 -0.087 25488 3973 1 7 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.358 0.372 25488 3974 1 7 . 1 1 171 171 HIS H H 171 8.513 8.513 8.838 -0.325 25488 3975 1 7 . 1 1 172 172 PHE N N 172 120.919 120.919 122.083 -1.164 25488 3976 1 7 . 1 1 172 172 PHE H H 172 8.457 8.457 8.546 -0.089 25488 3977 1 7 . 1 1 173 173 ASP N N 173 123.993 123.993 121.802 2.191 25488 3978 1 7 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.308 -1.412 25488 3979 1 7 . 1 1 173 173 ASP H H 173 7.915 7.915 8.745 -0.830 25488 3980 1 7 . 1 1 174 174 GLU N N 174 132.684 132.684 127.127 5.557 25488 3981 1 7 . 1 1 174 174 GLU H H 174 9.461 9.461 8.464 0.997 25488 3982 1 7 . 1 1 175 175 ASP N N 175 117.313 117.313 118.635 -1.322 25488 3983 1 7 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.825 -0.028 25488 3984 1 7 . 1 1 175 175 ASP H H 175 8.756 8.756 8.256 0.500 25488 3985 1 7 . 1 1 176 176 GLU N N 176 116.511 116.511 118.767 -2.256 25488 3986 1 7 . 1 1 176 176 GLU H H 176 7.154 7.154 7.536 -0.382 25488 3987 1 7 . 1 1 177 177 ARG N N 177 121.920 121.920 126.281 -4.361 25488 3988 1 7 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.558 0.067 25488 3989 1 7 . 1 1 177 177 ARG H H 177 7.555 7.555 8.362 -0.807 25488 3990 1 7 . 1 1 178 178 TRP N N 178 129.182 129.182 125.501 3.681 25488 3991 1 7 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.411 -0.298 25488 3992 1 7 . 1 1 178 178 TRP H H 178 8.788 8.788 8.699 0.089 25488 3993 1 7 . 1 1 179 179 THR N N 179 112.874 112.874 112.183 0.691 25488 3994 1 7 . 1 1 179 179 THR HA H 179 5.015 5.015 4.709 0.306 25488 3995 1 7 . 1 1 179 179 THR H H 179 8.946 8.946 8.357 0.589 25488 3996 1 7 . 1 1 180 180 ASP N N 180 121.969 121.969 125.433 -3.464 25488 3997 1 7 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.840 -0.418 25488 3998 1 7 . 1 1 180 180 ASP H H 180 8.478 8.478 8.735 -0.257 25488 3999 1 7 . 1 1 181 181 GLY N N 181 110.059 110.059 107.921 2.138 25488 4000 1 7 . 1 1 181 181 GLY H H 181 8.572 8.572 8.324 0.248 25488 4001 1 7 . 1 1 182 182 SER N N 182 115.564 115.564 117.328 -1.764 25488 4002 1 7 . 1 1 182 182 SER HA H 182 4.599 4.599 4.510 0.089 25488 4003 1 7 . 1 1 182 182 SER H H 182 8.173 8.173 8.023 0.150 25488 4004 1 7 . 1 1 183 183 SER N N 183 117.066 117.066 116.040 1.026 25488 4005 1 7 . 1 1 183 183 SER H H 183 7.819 7.819 8.722 -0.903 25488 4006 1 7 . 1 1 184 184 LEU N N 184 121.954 121.954 118.900 3.054 25488 4007 1 7 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.423 -0.061 25488 4008 1 7 . 1 1 184 184 LEU H H 184 8.104 8.104 7.302 0.802 25488 4009 1 7 . 1 1 185 185 GLY N N 185 108.989 108.989 106.643 2.346 25488 4010 1 7 . 1 1 185 185 GLY H H 185 7.954 7.954 7.332 0.622 25488 4011 1 7 . 1 1 186 186 ILE N N 186 123.084 123.084 119.158 3.926 25488 4012 1 7 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.374 -0.595 25488 4013 1 7 . 1 1 186 186 ILE H H 186 8.878 8.878 7.974 0.904 25488 4014 1 7 . 1 1 187 187 ASN N N 187 126.999 126.999 122.806 4.193 25488 4015 1 7 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.825 -0.429 25488 4016 1 7 . 1 1 187 187 ASN H H 187 8.575 8.575 8.461 0.114 25488 4017 1 7 . 1 1 188 188 PHE N N 188 129.819 129.819 127.709 2.110 25488 4018 1 7 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.599 -0.008 25488 4019 1 7 . 1 1 188 188 PHE H H 188 9.365 9.365 8.867 0.498 25488 4020 1 7 . 1 1 189 189 LEU N N 189 119.292 119.292 121.405 -2.113 25488 4021 1 7 . 1 1 189 189 LEU HA H 189 3.833 3.833 4.016 -0.183 25488 4022 1 7 . 1 1 189 189 LEU H H 189 8.551 8.551 8.111 0.440 25488 4023 1 7 . 1 1 191 191 ALA N N 191 120.347 120.347 122.648 -2.301 25488 4024 1 7 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.894 0.403 25488 4025 1 7 . 1 1 191 191 ALA H H 191 7.973 7.973 7.960 0.013 25488 4026 1 7 . 1 1 192 192 ALA N N 192 121.365 121.365 120.230 1.135 25488 4027 1 7 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.072 -0.055 25488 4028 1 7 . 1 1 192 192 ALA H H 192 9.258 9.258 8.619 0.639 25488 4029 1 7 . 1 1 193 193 THR N N 193 117.027 117.027 116.416 0.611 25488 4030 1 7 . 1 1 193 193 THR HA H 193 3.825 3.825 4.038 -0.213 25488 4031 1 7 . 1 1 193 193 THR H H 193 8.209 8.209 7.933 0.276 25488 4032 1 7 . 1 1 194 194 HIS N N 194 120.231 120.231 120.856 -0.625 25488 4033 1 7 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.650 -0.417 25488 4034 1 7 . 1 1 194 194 HIS H H 194 7.805 7.805 7.840 -0.035 25488 4035 1 7 . 1 1 195 195 ALA N N 195 121.346 121.346 121.428 -0.082 25488 4036 1 7 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.131 0.049 25488 4037 1 7 . 1 1 195 195 ALA H H 195 8.693 8.693 8.037 0.656 25488 4038 1 7 . 1 1 196 196 LEU N N 196 114.951 114.951 114.066 0.885 25488 4039 1 7 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.503 -0.345 25488 4040 1 7 . 1 1 196 196 LEU H H 196 8.714 8.714 7.812 0.902 25488 4041 1 7 . 1 1 197 197 GLY N N 197 107.954 107.954 104.897 3.057 25488 4042 1 7 . 1 1 197 197 GLY H H 197 7.540 7.540 7.468 0.072 25488 4043 1 7 . 1 1 198 198 HIS N N 198 121.996 121.996 119.796 2.200 25488 4044 1 7 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.581 0.228 25488 4045 1 7 . 1 1 198 198 HIS H H 198 7.205 7.205 7.341 -0.136 25488 4046 1 7 . 1 1 199 199 SER N N 199 118.570 118.570 115.916 2.654 25488 4047 1 7 . 1 1 199 199 SER HA H 199 4.448 4.448 4.647 -0.199 25488 4048 1 7 . 1 1 199 199 SER H H 199 7.886 7.886 8.339 -0.453 25488 4049 1 7 . 1 1 200 200 LEU N N 200 114.779 114.779 117.228 -2.449 25488 4050 1 7 . 1 1 200 200 LEU H H 200 7.106 7.106 7.136 -0.030 25488 4051 1 7 . 1 1 201 201 GLY N N 201 108.350 108.350 105.364 2.986 25488 4052 1 7 . 1 1 201 201 GLY H H 201 8.213 8.213 7.553 0.660 25488 4053 1 7 . 1 1 202 202 MET N N 202 119.623 119.623 120.505 -0.882 25488 4054 1 7 . 1 1 202 202 MET HA H 202 4.484 4.484 4.315 0.169 25488 4055 1 7 . 1 1 202 202 MET H H 202 8.189 8.189 7.327 0.862 25488 4056 1 7 . 1 1 203 203 GLY N N 203 109.770 109.770 108.119 1.651 25488 4057 1 7 . 1 1 203 203 GLY H H 203 8.413 8.413 8.292 0.121 25488 4058 1 7 . 1 1 204 204 HIS N N 204 115.793 115.793 118.847 -3.054 25488 4059 1 7 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.631 0.743 25488 4060 1 7 . 1 1 204 204 HIS H H 204 8.383 8.383 8.485 -0.102 25488 4061 1 7 . 1 1 205 205 SER N N 205 115.497 115.497 113.882 1.615 25488 4062 1 7 . 1 1 205 205 SER HA H 205 4.721 4.721 4.726 -0.005 25488 4063 1 7 . 1 1 205 205 SER H H 205 7.223 7.223 8.616 -1.393 25488 4064 1 7 . 1 1 206 206 SER N N 206 119.268 119.268 117.228 2.040 25488 4065 1 7 . 1 1 206 206 SER HA H 206 3.721 3.721 4.785 -1.064 25488 4066 1 7 . 1 1 206 206 SER H H 206 8.290 8.290 8.728 -0.438 25488 4067 1 7 . 1 1 207 207 ASP N N 207 126.656 126.656 124.154 2.502 25488 4068 1 7 . 1 1 207 207 ASP H H 207 8.541 8.541 7.502 1.039 25488 4069 1 7 . 1 1 209 209 ASN N N 209 115.911 115.911 115.681 0.230 25488 4070 1 7 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.487 0.129 25488 4071 1 7 . 1 1 209 209 ASN H H 209 8.374 8.374 8.093 0.281 25488 4072 1 7 . 1 1 210 210 ALA N N 210 124.929 124.929 122.001 2.928 25488 4073 1 7 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.260 -0.106 25488 4074 1 7 . 1 1 210 210 ALA H H 210 8.182 8.182 7.306 0.876 25488 4075 1 7 . 1 1 211 211 VAL N N 211 130.383 130.383 121.747 8.636 25488 4076 1 7 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.617 0.633 25488 4077 1 7 . 1 1 211 211 VAL H H 211 11.554 11.554 8.808 2.746 25488 4078 1 7 . 1 1 212 212 MET N N 212 113.319 113.319 114.437 -1.118 25488 4079 1 7 . 1 1 212 212 MET H H 212 7.741 7.741 7.808 -0.067 25488 4080 1 7 . 1 1 213 213 TYR N N 213 130.006 130.006 123.288 6.718 25488 4081 1 7 . 1 1 213 213 TYR H H 213 7.899 7.899 7.329 0.570 25488 4082 1 7 . 1 1 215 215 THR N N 215 104.747 104.747 110.792 -6.045 25488 4083 1 7 . 1 1 215 215 THR HA H 215 4.404 4.404 4.309 0.095 25488 4084 1 7 . 1 1 215 215 THR H H 215 6.402 6.402 7.574 -1.172 25488 4085 1 7 . 1 1 216 216 TYR N N 216 124.699 124.699 126.843 -2.144 25488 4086 1 7 . 1 1 216 216 TYR H H 216 8.341 8.341 8.209 0.132 25488 4087 1 7 . 1 1 217 217 GLY N N 217 116.288 116.288 111.306 4.982 25488 4088 1 7 . 1 1 217 217 GLY H H 217 7.685 7.685 8.228 -0.543 25488 4089 1 7 . 1 1 218 218 ASN N N 218 119.920 119.920 115.373 4.547 25488 4090 1 7 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.937 -0.317 25488 4091 1 7 . 1 1 218 218 ASN H H 218 8.221 8.221 8.584 -0.363 25488 4092 1 7 . 1 1 219 219 GLY N N 219 109.601 109.601 108.162 1.439 25488 4093 1 7 . 1 1 219 219 GLY H H 219 8.072 8.072 7.949 0.123 25488 4094 1 7 . 1 1 220 220 ASP N N 220 123.006 123.006 120.758 2.248 25488 4095 1 7 . 1 1 220 220 ASP H H 220 8.280 8.280 8.157 0.123 25488 4096 1 7 . 1 1 222 222 GLN N N 222 116.642 116.642 122.317 -5.675 25488 4097 1 7 . 1 1 222 222 GLN H H 222 8.215 8.215 8.587 -0.372 25488 4098 1 7 . 1 1 223 223 ASN N N 223 118.361 118.361 118.509 -0.148 25488 4099 1 7 . 1 1 223 223 ASN H H 223 7.970 7.970 8.237 -0.267 25488 4100 1 7 . 1 1 225 225 LYS N N 225 122.215 122.215 125.430 -3.215 25488 4101 1 7 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.437 -0.021 25488 4102 1 7 . 1 1 225 225 LYS H H 225 7.656 7.656 8.004 -0.348 25488 4103 1 7 . 1 1 226 226 LEU N N 226 119.165 119.165 120.391 -1.226 25488 4104 1 7 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.622 -0.534 25488 4105 1 7 . 1 1 226 226 LEU H H 226 7.984 7.984 8.112 -0.128 25488 4106 1 7 . 1 1 227 227 SER N N 227 120.520 120.520 116.698 3.822 25488 4107 1 7 . 1 1 227 227 SER HA H 227 4.676 4.676 4.564 0.112 25488 4108 1 7 . 1 1 227 227 SER H H 227 9.646 9.646 8.634 1.012 25488 4109 1 7 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.356 0.318 25488 4110 1 7 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.422 -0.048 25488 4111 1 7 . 1 1 229 229 ASP H H 229 8.113 8.113 7.691 0.422 25488 4112 1 7 . 1 1 230 230 ASP N N 230 119.878 119.878 118.915 0.963 25488 4113 1 7 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.493 -0.155 25488 4114 1 7 . 1 1 230 230 ASP H H 230 7.397 7.397 7.705 -0.308 25488 4115 1 7 . 1 1 231 231 ILE N N 231 120.389 120.389 119.279 1.110 25488 4116 1 7 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.888 -0.233 25488 4117 1 7 . 1 1 231 231 ILE H H 231 8.100 8.100 7.397 0.703 25488 4118 1 7 . 1 1 232 232 LYS N N 232 119.084 119.084 119.999 -0.915 25488 4119 1 7 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.972 0.123 25488 4120 1 7 . 1 1 232 232 LYS H H 232 8.581 8.581 7.769 0.812 25488 4121 1 7 . 1 1 233 233 GLY N N 233 106.424 106.424 105.803 0.621 25488 4122 1 7 . 1 1 233 233 GLY H H 233 8.061 8.061 8.186 -0.125 25488 4123 1 7 . 1 1 234 234 ILE N N 234 125.166 125.166 123.167 1.999 25488 4124 1 7 . 1 1 234 234 ILE H H 234 8.517 8.517 7.794 0.723 25488 4125 1 7 . 1 1 235 235 GLN N N 235 122.969 122.969 118.398 4.571 25488 4126 1 7 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.124 0.257 25488 4127 1 7 . 1 1 235 235 GLN H H 235 8.291 8.291 8.164 0.127 25488 4128 1 7 . 1 1 236 236 LYS N N 236 123.770 123.770 118.159 5.611 25488 4129 1 7 . 1 1 236 236 LYS H H 236 8.035 8.035 7.654 0.381 25488 4130 1 7 . 1 1 237 237 LEU N N 237 116.854 116.854 120.508 -3.654 25488 4131 1 7 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.926 0.033 25488 4132 1 7 . 1 1 237 237 LEU H H 237 6.886 6.886 7.392 -0.506 25488 4133 1 7 . 1 1 238 238 TYR N N 238 112.132 112.132 113.552 -1.420 25488 4134 1 7 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.672 -0.046 25488 4135 1 7 . 1 1 238 238 TYR H H 238 7.459 7.459 7.933 -0.474 25488 4136 1 7 . 1 1 239 239 GLY N N 239 110.898 110.898 107.127 3.771 25488 4137 1 7 . 1 1 239 239 GLY H H 239 8.442 8.442 7.365 1.077 25488 4138 1 7 . 1 1 240 240 LYS N N 240 114.400 114.400 119.575 -5.175 25488 4139 1 7 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.468 0.336 25488 4140 1 7 . 1 1 240 240 LYS H H 240 7.865 7.865 8.430 -0.565 25488 4141 1 7 . 1 1 241 241 ARG N N 241 123.851 123.851 124.076 -0.225 25488 4142 1 7 . 1 1 241 241 ARG H H 241 7.760 7.760 8.737 -0.977 25488 4143 1 7 . 1 1 242 242 SER N N 242 135.647 135.647 115.546 20.101 25488 4144 1 7 . 1 1 242 242 SER H H 242 9.158 9.158 8.566 0.592 25488 4145 1 8 . 1 1 3 3 GLU N N 3 121.690 121.690 126.543 -4.853 25488 4146 1 8 . 1 1 3 3 GLU H H 3 8.332 8.332 8.959 -0.627 25488 4147 1 8 . 1 1 4 4 ALA N N 4 124.526 124.526 118.048 6.478 25488 4148 1 8 . 1 1 4 4 ALA H H 4 8.111 8.111 8.050 0.061 25488 4149 1 8 . 1 1 5 5 GLY N N 5 108.229 108.229 105.620 2.609 25488 4150 1 8 . 1 1 5 5 GLY H H 5 8.286 8.286 7.646 0.640 25488 4151 1 8 . 1 1 6 6 GLY N N 6 108.867 108.867 107.714 1.153 25488 4152 1 8 . 1 1 6 6 GLY H H 6 8.239 8.239 7.844 0.395 25488 4153 1 8 . 1 1 7 7 MET N N 7 119.984 119.984 121.296 -1.312 25488 4154 1 8 . 1 1 7 7 MET H H 7 8.044 8.044 7.733 0.311 25488 4155 1 8 . 1 1 8 8 SER N N 8 118.771 118.771 120.887 -2.116 25488 4156 1 8 . 1 1 8 8 SER HA H 8 4.239 4.239 4.663 -0.424 25488 4157 1 8 . 1 1 8 8 SER H H 8 8.738 8.738 8.290 0.448 25488 4158 1 8 . 1 1 9 9 GLU N N 9 122.551 122.551 120.619 1.932 25488 4159 1 8 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.214 0.038 25488 4160 1 8 . 1 1 9 9 GLU H H 9 8.919 8.919 9.008 -0.089 25488 4161 1 8 . 1 1 10 10 LEU N N 10 120.638 120.638 119.657 0.981 25488 4162 1 8 . 1 1 10 10 LEU H H 10 8.017 8.017 7.837 0.180 25488 4163 1 8 . 1 1 11 11 GLN N N 11 119.889 119.889 117.787 2.102 25488 4164 1 8 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.946 0.188 25488 4165 1 8 . 1 1 11 11 GLN H H 11 7.807 7.807 7.997 -0.190 25488 4166 1 8 . 1 1 12 12 TRP N N 12 120.951 120.951 122.176 -1.225 25488 4167 1 8 . 1 1 12 12 TRP H H 12 8.202 8.202 8.468 -0.266 25488 4168 1 8 . 1 1 13 13 GLU N N 13 121.870 121.870 119.811 2.059 25488 4169 1 8 . 1 1 13 13 GLU H H 13 8.436 8.436 8.299 0.137 25488 4170 1 8 . 1 1 14 14 GLN N N 14 120.646 120.646 118.255 2.391 25488 4171 1 8 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.141 0.028 25488 4172 1 8 . 1 1 14 14 GLN H H 14 8.159 8.159 7.712 0.447 25488 4173 1 8 . 1 1 15 15 ALA N N 15 123.216 123.216 122.768 0.448 25488 4174 1 8 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.925 0.413 25488 4175 1 8 . 1 1 15 15 ALA H H 15 8.355 8.355 8.276 0.079 25488 4176 1 8 . 1 1 16 16 GLN N N 16 117.766 117.766 118.130 -0.364 25488 4177 1 8 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.943 -0.238 25488 4178 1 8 . 1 1 16 16 GLN H H 16 8.440 8.440 8.170 0.270 25488 4179 1 8 . 1 1 17 17 ASP N N 17 120.090 120.090 117.902 2.188 25488 4180 1 8 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.410 0.053 25488 4181 1 8 . 1 1 17 17 ASP H H 17 7.899 7.899 7.632 0.267 25488 4182 1 8 . 1 1 18 18 TYR N N 18 122.296 122.296 118.406 3.890 25488 4183 1 8 . 1 1 18 18 TYR H H 18 8.264 8.264 7.278 0.986 25488 4184 1 8 . 1 1 19 19 LEU N N 19 117.675 117.675 121.415 -3.740 25488 4185 1 8 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.051 1.074 25488 4186 1 8 . 1 1 19 19 LEU H H 19 8.687 8.687 7.793 0.894 25488 4187 1 8 . 1 1 20 20 LYS N N 20 124.620 124.620 114.854 9.766 25488 4188 1 8 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.145 -0.002 25488 4189 1 8 . 1 1 20 20 LYS H H 20 8.790 8.790 7.354 1.436 25488 4190 1 8 . 1 1 21 21 ARG N N 21 117.608 117.608 118.720 -1.112 25488 4191 1 8 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.023 -0.326 25488 4192 1 8 . 1 1 21 21 ARG H H 21 7.835 7.835 6.932 0.903 25488 4193 1 8 . 1 1 22 22 PHE N N 22 112.136 112.136 116.495 -4.359 25488 4194 1 8 . 1 1 22 22 PHE H H 22 8.003 8.003 6.969 1.034 25488 4195 1 8 . 1 1 23 23 TYR N N 23 116.244 116.244 114.272 1.972 25488 4196 1 8 . 1 1 23 23 TYR H H 23 7.678 7.678 7.266 0.412 25488 4197 1 8 . 1 1 24 24 LEU N N 24 115.582 115.582 118.071 -2.489 25488 4198 1 8 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.012 0.123 25488 4199 1 8 . 1 1 24 24 LEU H H 24 7.238 7.238 7.333 -0.095 25488 4200 1 8 . 1 1 25 25 TYR N N 25 119.996 119.996 114.139 5.857 25488 4201 1 8 . 1 1 25 25 TYR HA H 25 4.405 4.405 5.059 -0.654 25488 4202 1 8 . 1 1 25 25 TYR H H 25 7.826 7.826 7.436 0.390 25488 4203 1 8 . 1 1 26 26 ASP N N 26 129.292 129.292 120.128 9.164 25488 4204 1 8 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.682 -0.221 25488 4205 1 8 . 1 1 26 26 ASP H H 26 8.121 8.121 8.376 -0.255 25488 4206 1 8 . 1 1 28 28 GLU N N 28 122.115 122.115 119.448 2.667 25488 4207 1 8 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.520 -0.239 25488 4208 1 8 . 1 1 28 28 GLU H H 28 8.262 8.262 7.906 0.356 25488 4209 1 8 . 1 1 29 29 THR N N 29 114.171 114.171 115.387 -1.216 25488 4210 1 8 . 1 1 29 29 THR HA H 29 4.222 4.222 4.397 -0.175 25488 4211 1 8 . 1 1 29 29 THR H H 29 7.496 7.496 7.788 -0.292 25488 4212 1 8 . 1 1 30 30 LYS N N 30 123.019 123.019 123.989 -0.970 25488 4213 1 8 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.112 0.106 25488 4214 1 8 . 1 1 30 30 LYS H H 30 8.154 8.154 7.901 0.253 25488 4215 1 8 . 1 1 32 32 ALA N N 32 126.481 126.481 127.237 -0.756 25488 4216 1 8 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.978 0.272 25488 4217 1 8 . 1 1 32 32 ALA H H 32 8.424 8.424 8.727 -0.303 25488 4218 1 8 . 1 1 33 33 ASN N N 33 116.834 116.834 116.922 -0.088 25488 4219 1 8 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.506 0.192 25488 4220 1 8 . 1 1 33 33 ASN H H 33 8.312 8.312 8.076 0.236 25488 4221 1 8 . 1 1 34 34 SER N N 34 116.960 116.960 115.777 1.183 25488 4222 1 8 . 1 1 34 34 SER HA H 34 4.522 4.522 4.282 0.240 25488 4223 1 8 . 1 1 34 34 SER H H 34 8.112 8.112 8.038 0.074 25488 4224 1 8 . 1 1 35 35 LEU N N 35 125.335 125.335 123.220 2.115 25488 4225 1 8 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.047 -0.496 25488 4226 1 8 . 1 1 35 35 LEU H H 35 8.324 8.324 7.878 0.446 25488 4227 1 8 . 1 1 36 36 GLU N N 36 119.302 119.302 119.457 -0.155 25488 4228 1 8 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.973 -0.030 25488 4229 1 8 . 1 1 36 36 GLU H H 36 8.239 8.239 7.866 0.373 25488 4230 1 8 . 1 1 37 37 ALA N N 37 120.683 120.683 122.018 -1.335 25488 4231 1 8 . 1 1 37 37 ALA HA H 37 4.047 4.047 3.925 0.122 25488 4232 1 8 . 1 1 37 37 ALA H H 37 7.898 7.898 7.706 0.192 25488 4233 1 8 . 1 1 38 38 LYS N N 38 119.470 119.470 119.307 0.163 25488 4234 1 8 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.008 0.325 25488 4235 1 8 . 1 1 38 38 LYS H H 38 8.217 8.217 8.212 0.005 25488 4236 1 8 . 1 1 39 39 LEU N N 39 122.664 122.664 119.074 3.590 25488 4237 1 8 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.375 -0.461 25488 4238 1 8 . 1 1 39 39 LEU H H 39 8.658 8.658 7.933 0.725 25488 4239 1 8 . 1 1 40 40 LYS N N 40 118.301 118.301 119.862 -1.561 25488 4240 1 8 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.987 0.686 25488 4241 1 8 . 1 1 40 40 LYS H H 40 8.221 8.221 8.518 -0.298 25488 4242 1 8 . 1 1 41 41 GLU N N 41 121.462 121.462 119.767 1.695 25488 4243 1 8 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.135 -0.067 25488 4244 1 8 . 1 1 41 41 GLU H H 41 7.736 7.736 7.794 -0.058 25488 4245 1 8 . 1 1 42 42 MET N N 42 123.761 123.761 119.244 4.517 25488 4246 1 8 . 1 1 42 42 MET HA H 42 4.046 4.046 4.145 -0.099 25488 4247 1 8 . 1 1 42 42 MET H H 42 7.672 7.672 8.083 -0.411 25488 4248 1 8 . 1 1 43 43 GLN N N 43 120.035 120.035 117.562 2.473 25488 4249 1 8 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.143 -0.347 25488 4250 1 8 . 1 1 43 43 GLN H H 43 8.904 8.904 8.106 0.798 25488 4251 1 8 . 1 1 44 44 LYS N N 44 119.131 119.131 121.101 -1.970 25488 4252 1 8 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.173 -0.121 25488 4253 1 8 . 1 1 44 44 LYS H H 44 8.511 8.511 7.920 0.591 25488 4254 1 8 . 1 1 45 45 PHE N N 45 123.544 123.544 120.200 3.344 25488 4255 1 8 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.289 -0.439 25488 4256 1 8 . 1 1 45 45 PHE H H 45 8.438 8.438 8.210 0.228 25488 4257 1 8 . 1 1 46 46 PHE N N 46 112.789 112.789 116.243 -3.454 25488 4258 1 8 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.397 0.185 25488 4259 1 8 . 1 1 46 46 PHE H H 46 8.273 8.273 7.955 0.318 25488 4260 1 8 . 1 1 47 47 GLY N N 47 110.408 110.408 107.680 2.728 25488 4261 1 8 . 1 1 47 47 GLY H H 47 7.922 7.922 8.004 -0.082 25488 4262 1 8 . 1 1 48 48 LEU N N 48 121.853 121.853 122.749 -0.896 25488 4263 1 8 . 1 1 48 48 LEU H H 48 8.747 8.747 8.075 0.672 25488 4264 1 8 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.433 -0.232 25488 4265 1 8 . 1 1 50 50 ILE N N 50 127.000 127.000 117.666 9.334 25488 4266 1 8 . 1 1 50 50 ILE H H 50 8.529 8.529 7.497 1.032 25488 4267 1 8 . 1 1 51 51 THR N N 51 116.519 116.519 115.846 0.673 25488 4268 1 8 . 1 1 51 51 THR H H 51 7.980 7.980 8.320 -0.340 25488 4269 1 8 . 1 1 52 52 GLY N N 52 112.725 112.725 114.720 -1.995 25488 4270 1 8 . 1 1 52 52 GLY H H 52 9.483 9.483 9.555 -0.072 25488 4271 1 8 . 1 1 53 53 MET N N 53 116.735 116.735 120.507 -3.772 25488 4272 1 8 . 1 1 53 53 MET HA H 53 4.044 4.044 4.582 -0.538 25488 4273 1 8 . 1 1 53 53 MET H H 53 7.969 7.969 8.687 -0.718 25488 4274 1 8 . 1 1 54 54 LEU N N 54 122.602 122.602 128.513 -5.911 25488 4275 1 8 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.666 -0.960 25488 4276 1 8 . 1 1 54 54 LEU H H 54 7.926 7.926 8.442 -0.516 25488 4277 1 8 . 1 1 55 55 ASN N N 55 115.755 115.755 119.791 -4.036 25488 4278 1 8 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.956 -0.216 25488 4279 1 8 . 1 1 55 55 ASN H H 55 6.555 6.555 7.938 -1.383 25488 4280 1 8 . 1 1 56 56 SER N N 56 121.450 121.450 121.061 0.389 25488 4281 1 8 . 1 1 56 56 SER HA H 56 4.662 4.662 4.105 0.557 25488 4282 1 8 . 1 1 56 56 SER H H 56 8.205 8.205 9.039 -0.834 25488 4283 1 8 . 1 1 57 57 ARG N N 57 123.219 123.219 121.831 1.388 25488 4284 1 8 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.965 0.241 25488 4285 1 8 . 1 1 57 57 ARG H H 57 7.883 7.883 7.904 -0.021 25488 4286 1 8 . 1 1 58 58 VAL N N 58 118.843 118.843 117.974 0.869 25488 4287 1 8 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.720 -0.420 25488 4288 1 8 . 1 1 58 58 VAL H H 58 7.594 7.594 8.116 -0.522 25488 4289 1 8 . 1 1 59 59 ILE N N 59 119.212 119.212 119.154 0.058 25488 4290 1 8 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.410 0.059 25488 4291 1 8 . 1 1 59 59 ILE H H 59 7.326 7.326 7.261 0.065 25488 4292 1 8 . 1 1 60 60 GLU N N 60 119.544 119.544 120.848 -1.304 25488 4293 1 8 . 1 1 60 60 GLU H H 60 7.880 7.880 7.712 0.168 25488 4294 1 8 . 1 1 61 61 ILE N N 61 118.812 118.812 112.506 6.306 25488 4295 1 8 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.264 0.178 25488 4296 1 8 . 1 1 61 61 ILE H H 61 7.217 7.217 7.072 0.145 25488 4297 1 8 . 1 1 62 62 MET N N 62 120.202 120.202 119.189 1.013 25488 4298 1 8 . 1 1 62 62 MET HA H 62 3.419 3.419 4.429 -1.010 25488 4299 1 8 . 1 1 62 62 MET H H 62 7.820 7.820 7.225 0.595 25488 4300 1 8 . 1 1 63 63 GLN N N 63 116.274 116.274 116.958 -0.684 25488 4301 1 8 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.218 0.023 25488 4302 1 8 . 1 1 63 63 GLN H H 63 7.442 7.442 7.807 -0.365 25488 4303 1 8 . 1 1 64 64 LYS N N 64 121.450 121.450 121.582 -0.132 25488 4304 1 8 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.290 0.209 25488 4305 1 8 . 1 1 64 64 LYS H H 64 7.474 7.474 7.218 0.256 25488 4306 1 8 . 1 1 66 66 ARG N N 66 113.173 113.173 120.997 -7.824 25488 4307 1 8 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.339 0.100 25488 4308 1 8 . 1 1 66 66 ARG H H 66 8.151 8.151 7.736 0.415 25488 4309 1 8 . 1 1 67 67 CYS N N 67 121.794 121.794 119.034 2.760 25488 4310 1 8 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.897 -0.477 25488 4311 1 8 . 1 1 67 67 CYS H H 67 7.709 7.709 8.257 -0.548 25488 4312 1 8 . 1 1 68 68 GLY N N 68 116.255 116.255 110.591 5.664 25488 4313 1 8 . 1 1 68 68 GLY H H 68 9.707 9.707 8.819 0.888 25488 4314 1 8 . 1 1 69 69 VAL N N 69 126.541 126.541 113.115 13.426 25488 4315 1 8 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.153 -0.346 25488 4316 1 8 . 1 1 69 69 VAL H H 69 9.118 9.118 6.698 2.420 25488 4317 1 8 . 1 1 71 71 ASP N N 71 119.114 119.114 125.591 -6.477 25488 4318 1 8 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.646 -0.163 25488 4319 1 8 . 1 1 71 71 ASP H H 71 8.067 8.067 8.143 -0.076 25488 4320 1 8 . 1 1 72 72 VAL N N 72 112.988 112.988 118.018 -5.030 25488 4321 1 8 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.251 0.030 25488 4322 1 8 . 1 1 72 72 VAL H H 72 6.438 6.438 7.102 -0.664 25488 4323 1 8 . 1 1 73 73 ALA N N 73 125.902 125.902 125.798 0.104 25488 4324 1 8 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.379 -0.112 25488 4325 1 8 . 1 1 73 73 ALA H H 73 8.171 8.171 8.442 -0.271 25488 4326 1 8 . 1 1 74 74 GLU N N 74 120.835 120.835 124.494 -3.659 25488 4327 1 8 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.505 -0.422 25488 4328 1 8 . 1 1 74 74 GLU H H 74 8.385 8.385 7.952 0.433 25488 4329 1 8 . 1 1 75 75 TYR N N 75 121.820 121.820 120.011 1.809 25488 4330 1 8 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.280 0.114 25488 4331 1 8 . 1 1 75 75 TYR H H 75 8.102 8.102 8.836 -0.734 25488 4332 1 8 . 1 1 76 76 SER N N 76 117.881 117.881 114.193 3.688 25488 4333 1 8 . 1 1 76 76 SER H H 76 7.718 7.718 9.109 -1.391 25488 4334 1 8 . 1 1 77 77 LEU N N 77 123.835 123.835 121.460 2.375 25488 4335 1 8 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.635 -0.543 25488 4336 1 8 . 1 1 77 77 LEU H H 77 8.033 8.033 7.584 0.449 25488 4337 1 8 . 1 1 78 78 PHE N N 78 118.893 118.893 119.850 -0.957 25488 4338 1 8 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.084 -0.239 25488 4339 1 8 . 1 1 78 78 PHE H H 78 7.822 7.822 8.120 -0.298 25488 4340 1 8 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.410 -0.079 25488 4341 1 8 . 1 1 80 80 ASN N N 80 118.184 118.184 121.350 -3.166 25488 4342 1 8 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.776 -0.096 25488 4343 1 8 . 1 1 80 80 ASN H H 80 8.106 8.106 8.396 -0.290 25488 4344 1 8 . 1 1 81 81 SER HA H 81 4.636 4.636 4.600 0.036 25488 4345 1 8 . 1 1 83 83 LYS N N 83 114.696 114.696 117.181 -2.485 25488 4346 1 8 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.591 -0.368 25488 4347 1 8 . 1 1 83 83 LYS H H 83 7.361 7.361 7.948 -0.587 25488 4348 1 8 . 1 1 84 84 TRP N N 84 122.459 122.459 122.895 -0.436 25488 4349 1 8 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.630 -0.627 25488 4350 1 8 . 1 1 84 84 TRP H H 84 8.020 8.020 8.542 -0.522 25488 4351 1 8 . 1 1 85 85 THR N N 85 113.482 113.482 117.940 -4.458 25488 4352 1 8 . 1 1 85 85 THR HA H 85 4.586 4.586 4.269 0.317 25488 4353 1 8 . 1 1 85 85 THR H H 85 8.833 8.833 8.673 0.160 25488 4354 1 8 . 1 1 86 86 SER N N 86 117.316 117.316 113.699 3.617 25488 4355 1 8 . 1 1 86 86 SER HA H 86 4.665 4.665 4.754 -0.089 25488 4356 1 8 . 1 1 86 86 SER H H 86 7.724 7.724 7.748 -0.024 25488 4357 1 8 . 1 1 87 87 LYS N N 87 120.411 120.411 119.950 0.461 25488 4358 1 8 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.197 -0.058 25488 4359 1 8 . 1 1 87 87 LYS H H 87 8.312 8.312 8.394 -0.082 25488 4360 1 8 . 1 1 88 88 VAL N N 88 117.674 117.674 119.560 -1.886 25488 4361 1 8 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.606 0.045 25488 4362 1 8 . 1 1 88 88 VAL H H 88 7.425 7.425 7.322 0.103 25488 4363 1 8 . 1 1 89 89 VAL N N 89 131.493 131.493 124.289 7.204 25488 4364 1 8 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.208 -0.067 25488 4365 1 8 . 1 1 89 89 VAL H H 89 8.574 8.574 8.793 -0.219 25488 4366 1 8 . 1 1 90 90 THR N N 90 118.245 118.245 116.424 1.821 25488 4367 1 8 . 1 1 90 90 THR HA H 90 5.627 5.627 5.690 -0.063 25488 4368 1 8 . 1 1 90 90 THR H H 90 9.021 9.021 8.212 0.809 25488 4369 1 8 . 1 1 91 91 TYR N N 91 118.267 118.267 120.028 -1.761 25488 4370 1 8 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.759 -0.085 25488 4371 1 8 . 1 1 91 91 TYR H H 91 8.555 8.555 9.067 -0.512 25488 4372 1 8 . 1 1 92 92 ARG N N 92 120.260 120.260 123.966 -3.706 25488 4373 1 8 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.909 -0.263 25488 4374 1 8 . 1 1 92 92 ARG H H 92 8.513 8.513 8.220 0.293 25488 4375 1 8 . 1 1 93 93 ILE N N 93 128.361 128.361 126.576 1.785 25488 4376 1 8 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.511 0.108 25488 4377 1 8 . 1 1 93 93 ILE H H 93 8.878 8.878 8.918 -0.040 25488 4378 1 8 . 1 1 94 94 VAL N N 94 126.374 126.374 128.104 -1.730 25488 4379 1 8 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.281 -0.281 25488 4380 1 8 . 1 1 94 94 VAL H H 94 9.492 9.492 9.031 0.461 25488 4381 1 8 . 1 1 95 95 SER N N 95 113.303 113.303 114.608 -1.305 25488 4382 1 8 . 1 1 95 95 SER HA H 95 4.705 4.705 4.840 -0.135 25488 4383 1 8 . 1 1 95 95 SER H H 95 7.431 7.431 7.666 -0.235 25488 4384 1 8 . 1 1 96 96 TYR N N 96 117.054 117.054 118.656 -1.602 25488 4385 1 8 . 1 1 96 96 TYR H H 96 8.255 8.255 8.035 0.220 25488 4386 1 8 . 1 1 98 98 ARG N N 98 128.445 128.445 121.175 7.270 25488 4387 1 8 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.283 0.055 25488 4388 1 8 . 1 1 98 98 ARG H H 98 8.964 8.964 8.553 0.411 25488 4389 1 8 . 1 1 99 99 ASP N N 99 120.412 120.412 119.863 0.549 25488 4390 1 8 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.467 -0.132 25488 4391 1 8 . 1 1 99 99 ASP H H 99 8.695 8.695 8.702 -0.007 25488 4392 1 8 . 1 1 100 100 LEU N N 100 116.851 116.851 117.840 -0.989 25488 4393 1 8 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.781 0.152 25488 4394 1 8 . 1 1 100 100 LEU H H 100 6.902 6.902 7.209 -0.307 25488 4395 1 8 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.650 0.517 25488 4396 1 8 . 1 1 103 103 ILE N N 103 115.469 115.469 114.612 0.857 25488 4397 1 8 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.854 0.319 25488 4398 1 8 . 1 1 103 103 ILE H H 103 8.296 8.296 8.112 0.184 25488 4399 1 8 . 1 1 104 104 THR N N 104 119.413 119.413 112.891 6.522 25488 4400 1 8 . 1 1 104 104 THR HA H 104 4.019 4.019 3.985 0.034 25488 4401 1 8 . 1 1 104 104 THR H H 104 6.915 6.915 7.667 -0.752 25488 4402 1 8 . 1 1 105 105 VAL N N 105 123.232 123.232 121.805 1.427 25488 4403 1 8 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.371 0.043 25488 4404 1 8 . 1 1 105 105 VAL H H 105 7.379 7.379 7.652 -0.273 25488 4405 1 8 . 1 1 106 106 ASP N N 106 120.160 120.160 119.490 0.670 25488 4406 1 8 . 1 1 106 106 ASP H H 106 8.615 8.615 7.751 0.864 25488 4407 1 8 . 1 1 107 107 ARG N N 107 121.041 121.041 117.058 3.983 25488 4408 1 8 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.281 -0.191 25488 4409 1 8 . 1 1 107 107 ARG H H 107 8.372 8.372 7.528 0.844 25488 4410 1 8 . 1 1 108 108 LEU N N 108 121.644 121.644 120.595 1.049 25488 4411 1 8 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.215 0.038 25488 4412 1 8 . 1 1 108 108 LEU H H 108 8.768 8.768 7.674 1.094 25488 4413 1 8 . 1 1 109 109 VAL N N 109 120.347 120.347 117.106 3.241 25488 4414 1 8 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.468 -0.097 25488 4415 1 8 . 1 1 109 109 VAL H H 109 8.762 8.762 8.345 0.417 25488 4416 1 8 . 1 1 110 110 SER N N 110 112.949 112.949 116.764 -3.815 25488 4417 1 8 . 1 1 110 110 SER HA H 110 4.270 4.270 3.862 0.408 25488 4418 1 8 . 1 1 110 110 SER H H 110 7.605 7.605 7.645 -0.040 25488 4419 1 8 . 1 1 111 111 LYS N N 111 122.434 122.434 122.045 0.389 25488 4420 1 8 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.839 0.203 25488 4421 1 8 . 1 1 111 111 LYS H H 111 8.146 8.146 7.716 0.430 25488 4422 1 8 . 1 1 112 112 ALA N N 112 124.099 124.099 121.142 2.957 25488 4423 1 8 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.937 0.140 25488 4424 1 8 . 1 1 112 112 ALA H H 112 8.270 8.270 7.662 0.608 25488 4425 1 8 . 1 1 113 113 LEU N N 113 116.251 116.251 117.886 -1.635 25488 4426 1 8 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.561 0.161 25488 4427 1 8 . 1 1 113 113 LEU H H 113 8.019 8.019 8.045 -0.026 25488 4428 1 8 . 1 1 114 114 ASN N N 114 116.659 116.659 117.264 -0.605 25488 4429 1 8 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.453 0.076 25488 4430 1 8 . 1 1 114 114 ASN H H 114 8.197 8.197 8.029 0.168 25488 4431 1 8 . 1 1 115 115 MET N N 115 122.118 122.118 118.620 3.498 25488 4432 1 8 . 1 1 115 115 MET HA H 115 4.013 4.013 4.029 -0.016 25488 4433 1 8 . 1 1 115 115 MET H H 115 7.918 7.918 7.289 0.629 25488 4434 1 8 . 1 1 116 116 TRP N N 116 117.117 117.117 117.613 -0.496 25488 4435 1 8 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.724 -0.214 25488 4436 1 8 . 1 1 116 116 TRP H H 116 6.773 6.773 7.166 -0.393 25488 4437 1 8 . 1 1 117 117 GLY N N 117 104.656 104.656 107.878 -3.222 25488 4438 1 8 . 1 1 117 117 GLY H H 117 9.305 9.305 8.405 0.900 25488 4439 1 8 . 1 1 118 118 LYS N N 118 118.567 118.567 118.519 0.048 25488 4440 1 8 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.208 -0.031 25488 4441 1 8 . 1 1 118 118 LYS H H 118 7.947 7.947 7.804 0.143 25488 4442 1 8 . 1 1 119 119 GLU N N 119 113.899 113.899 118.013 -4.114 25488 4443 1 8 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.414 0.394 25488 4444 1 8 . 1 1 119 119 GLU H H 119 7.773 7.773 7.738 0.035 25488 4445 1 8 . 1 1 120 120 ILE N N 120 111.215 111.215 119.851 -8.636 25488 4446 1 8 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.989 0.332 25488 4447 1 8 . 1 1 120 120 ILE H H 120 7.528 7.528 7.910 -0.382 25488 4448 1 8 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.355 0.266 25488 4449 1 8 . 1 1 122 122 LEU N N 122 121.481 121.481 120.889 0.592 25488 4450 1 8 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.289 0.003 25488 4451 1 8 . 1 1 122 122 LEU H H 122 6.815 6.815 7.701 -0.886 25488 4452 1 8 . 1 1 123 123 HIS N N 123 120.769 120.769 120.054 0.715 25488 4453 1 8 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.699 -0.107 25488 4454 1 8 . 1 1 123 123 HIS H H 123 7.709 7.709 8.533 -0.824 25488 4455 1 8 . 1 1 124 124 PHE N N 124 120.530 120.530 122.222 -1.692 25488 4456 1 8 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.331 0.481 25488 4457 1 8 . 1 1 124 124 PHE H H 124 8.306 8.306 8.795 -0.489 25488 4458 1 8 . 1 1 125 125 ARG N N 125 123.891 123.891 124.581 -0.690 25488 4459 1 8 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.740 -0.087 25488 4460 1 8 . 1 1 125 125 ARG H H 125 8.408 8.408 9.070 -0.662 25488 4461 1 8 . 1 1 126 126 LYS N N 126 130.178 130.178 125.674 4.504 25488 4462 1 8 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.833 -0.472 25488 4463 1 8 . 1 1 126 126 LYS H H 126 8.468 8.468 8.522 -0.054 25488 4464 1 8 . 1 1 127 127 VAL N N 127 125.180 125.180 126.006 -0.826 25488 4465 1 8 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.226 0.282 25488 4466 1 8 . 1 1 127 127 VAL H H 127 8.679 8.679 8.533 0.146 25488 4467 1 8 . 1 1 128 128 VAL N N 128 117.584 117.584 116.551 1.033 25488 4468 1 8 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.476 -0.190 25488 4469 1 8 . 1 1 128 128 VAL H H 128 8.469 8.469 8.001 0.469 25488 4470 1 8 . 1 1 129 129 TRP N N 129 119.805 119.805 119.261 0.544 25488 4471 1 8 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.864 -0.178 25488 4472 1 8 . 1 1 129 129 TRP H H 129 7.447 7.447 7.519 -0.072 25488 4473 1 8 . 1 1 130 130 GLY N N 130 109.844 109.844 111.213 -1.369 25488 4474 1 8 . 1 1 130 130 GLY H H 130 8.072 8.072 8.335 -0.263 25488 4475 1 8 . 1 1 131 131 THR N N 131 116.125 116.125 112.013 4.112 25488 4476 1 8 . 1 1 131 131 THR HA H 131 4.123 4.123 4.617 -0.494 25488 4477 1 8 . 1 1 131 131 THR H H 131 8.196 8.196 8.087 0.109 25488 4478 1 8 . 1 1 132 132 ALA N N 132 129.613 129.613 126.958 2.655 25488 4479 1 8 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.445 0.066 25488 4480 1 8 . 1 1 132 132 ALA H H 132 7.919 7.919 7.802 0.117 25488 4481 1 8 . 1 1 133 133 ASP N N 133 123.004 123.004 119.767 3.237 25488 4482 1 8 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.645 -0.203 25488 4483 1 8 . 1 1 133 133 ASP H H 133 8.248 8.248 8.229 0.019 25488 4484 1 8 . 1 1 134 134 ILE N N 134 125.478 125.478 121.289 4.189 25488 4485 1 8 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.506 -0.413 25488 4486 1 8 . 1 1 134 134 ILE H H 134 8.804 8.804 8.126 0.678 25488 4487 1 8 . 1 1 135 135 MET N N 135 127.471 127.471 126.832 0.639 25488 4488 1 8 . 1 1 135 135 MET HA H 135 5.194 5.194 4.947 0.247 25488 4489 1 8 . 1 1 135 135 MET H H 135 7.437 7.437 8.378 -0.941 25488 4490 1 8 . 1 1 136 136 ILE N N 136 125.040 125.040 123.570 1.470 25488 4491 1 8 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.959 0.618 25488 4492 1 8 . 1 1 136 136 ILE H H 136 9.085 9.085 8.793 0.292 25488 4493 1 8 . 1 1 137 137 GLY N N 137 112.059 112.059 114.037 -1.978 25488 4494 1 8 . 1 1 137 137 GLY H H 137 8.568 8.568 8.399 0.169 25488 4495 1 8 . 1 1 138 138 PHE N N 138 119.447 119.447 122.269 -2.822 25488 4496 1 8 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.450 0.004 25488 4497 1 8 . 1 1 138 138 PHE H H 138 7.861 7.861 8.516 -0.655 25488 4498 1 8 . 1 1 139 139 ALA N N 139 123.657 123.657 126.608 -2.951 25488 4499 1 8 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.728 0.007 25488 4500 1 8 . 1 1 139 139 ALA H H 139 8.939 8.939 8.857 0.082 25488 4501 1 8 . 1 1 140 140 ARG N N 140 118.688 118.688 120.270 -1.582 25488 4502 1 8 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.849 0.225 25488 4503 1 8 . 1 1 140 140 ARG H H 140 8.563 8.563 8.453 0.110 25488 4504 1 8 . 1 1 141 141 GLY N N 141 108.964 108.964 113.807 -4.843 25488 4505 1 8 . 1 1 141 141 GLY H H 141 9.018 9.018 9.226 -0.208 25488 4506 1 8 . 1 1 143 143 HIS N N 143 120.218 120.218 114.806 5.412 25488 4507 1 8 . 1 1 143 143 HIS H H 143 8.998 8.998 7.847 1.151 25488 4508 1 8 . 1 1 145 145 ASP N N 145 117.684 117.684 121.838 -4.154 25488 4509 1 8 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.906 -0.206 25488 4510 1 8 . 1 1 145 145 ASP H H 145 7.088 7.088 8.184 -1.096 25488 4511 1 8 . 1 1 146 146 SER HA H 146 4.140 4.140 4.473 -0.333 25488 4512 1 8 . 1 1 146 146 SER H H 146 8.220 8.220 8.417 -0.197 25488 4513 1 8 . 1 1 147 147 TYR N N 147 120.867 120.867 116.995 3.872 25488 4514 1 8 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.289 0.499 25488 4515 1 8 . 1 1 147 147 TYR H H 147 7.459 7.459 8.228 -0.769 25488 4516 1 8 . 1 1 149 149 PHE N N 149 120.630 120.630 118.406 2.224 25488 4517 1 8 . 1 1 149 149 PHE H H 149 8.018 8.018 8.082 -0.064 25488 4518 1 8 . 1 1 150 150 ASP N N 150 115.626 115.626 116.951 -1.325 25488 4519 1 8 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.237 0.606 25488 4520 1 8 . 1 1 150 150 ASP H H 150 7.543 7.543 7.425 0.118 25488 4521 1 8 . 1 1 151 151 GLY N N 151 110.700 110.700 107.649 3.051 25488 4522 1 8 . 1 1 151 151 GLY H H 151 9.074 9.074 8.300 0.774 25488 4523 1 8 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.421 -0.395 25488 4524 1 8 . 1 1 153 153 GLY N N 153 118.786 118.786 113.428 5.358 25488 4525 1 8 . 1 1 153 153 GLY H H 153 11.385 11.385 9.099 2.286 25488 4526 1 8 . 1 1 154 154 ASN N N 154 120.613 120.613 118.685 1.928 25488 4527 1 8 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.321 -0.123 25488 4528 1 8 . 1 1 154 154 ASN H H 154 9.225 9.225 8.351 0.874 25488 4529 1 8 . 1 1 155 155 THR N N 155 118.700 118.700 115.123 3.577 25488 4530 1 8 . 1 1 155 155 THR HA H 155 5.542 5.542 4.331 1.211 25488 4531 1 8 . 1 1 155 155 THR H H 155 9.519 9.519 8.462 1.057 25488 4532 1 8 . 1 1 156 156 LEU N N 156 122.765 122.765 118.336 4.429 25488 4533 1 8 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.023 -0.081 25488 4534 1 8 . 1 1 156 156 LEU H H 156 8.500 8.500 8.609 -0.109 25488 4535 1 8 . 1 1 157 157 ALA N N 157 115.545 115.545 119.824 -4.279 25488 4536 1 8 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.668 0.339 25488 4537 1 8 . 1 1 157 157 ALA H H 157 7.545 7.545 7.550 -0.005 25488 4538 1 8 . 1 1 158 158 HIS N N 158 111.868 111.868 118.766 -6.898 25488 4539 1 8 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.730 -0.113 25488 4540 1 8 . 1 1 158 158 HIS H H 158 8.774 8.774 8.405 0.369 25488 4541 1 8 . 1 1 159 159 ALA N N 159 118.565 118.565 124.179 -5.614 25488 4542 1 8 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.895 -0.238 25488 4543 1 8 . 1 1 159 159 ALA H H 159 6.114 6.114 8.042 -1.928 25488 4544 1 8 . 1 1 160 160 PHE N N 160 118.042 118.042 121.699 -3.657 25488 4545 1 8 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.798 -0.317 25488 4546 1 8 . 1 1 160 160 PHE H H 160 7.897 7.897 8.639 -0.742 25488 4547 1 8 . 1 1 161 161 ALA N N 161 123.548 123.548 125.029 -1.481 25488 4548 1 8 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.607 -0.124 25488 4549 1 8 . 1 1 161 161 ALA H H 161 8.089 8.089 8.512 -0.423 25488 4550 1 8 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.398 -0.527 25488 4551 1 8 . 1 1 163 163 GLY N N 163 107.255 107.255 108.685 -1.430 25488 4552 1 8 . 1 1 163 163 GLY H H 163 5.992 5.992 7.207 -1.215 25488 4553 1 8 . 1 1 165 165 GLY H H 165 9.149 9.149 8.038 1.111 25488 4554 1 8 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.233 -0.080 25488 4555 1 8 . 1 1 167 167 GLY N N 167 103.338 103.338 103.173 0.165 25488 4556 1 8 . 1 1 167 167 GLY H H 167 7.774 7.774 7.363 0.411 25488 4557 1 8 . 1 1 168 168 GLY N N 168 121.031 121.031 108.180 12.851 25488 4558 1 8 . 1 1 168 168 GLY H H 168 7.685 7.685 8.162 -0.477 25488 4559 1 8 . 1 1 169 169 ASP N N 169 123.703 123.703 121.696 2.007 25488 4560 1 8 . 1 1 169 169 ASP H H 169 8.578 8.578 7.789 0.789 25488 4561 1 8 . 1 1 170 170 ALA N N 170 119.569 119.569 123.577 -4.008 25488 4562 1 8 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.845 -0.141 25488 4563 1 8 . 1 1 170 170 ALA H H 170 8.371 8.371 8.531 -0.160 25488 4564 1 8 . 1 1 171 171 HIS N N 171 120.286 120.286 120.273 0.013 25488 4565 1 8 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.720 0.010 25488 4566 1 8 . 1 1 171 171 HIS H H 171 8.513 8.513 8.669 -0.156 25488 4567 1 8 . 1 1 172 172 PHE N N 172 120.919 120.919 118.242 2.677 25488 4568 1 8 . 1 1 172 172 PHE H H 172 8.457 8.457 8.401 0.056 25488 4569 1 8 . 1 1 173 173 ASP N N 173 123.993 123.993 122.010 1.983 25488 4570 1 8 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.293 -1.397 25488 4571 1 8 . 1 1 173 173 ASP H H 173 7.915 7.915 9.010 -1.095 25488 4572 1 8 . 1 1 174 174 GLU N N 174 132.684 132.684 126.960 5.724 25488 4573 1 8 . 1 1 174 174 GLU H H 174 9.461 9.461 8.929 0.532 25488 4574 1 8 . 1 1 175 175 ASP N N 175 117.313 117.313 117.905 -0.592 25488 4575 1 8 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.803 -0.006 25488 4576 1 8 . 1 1 175 175 ASP H H 175 8.756 8.756 8.259 0.497 25488 4577 1 8 . 1 1 176 176 GLU N N 176 116.511 116.511 119.388 -2.877 25488 4578 1 8 . 1 1 176 176 GLU H H 176 7.154 7.154 7.602 -0.448 25488 4579 1 8 . 1 1 177 177 ARG N N 177 121.920 121.920 120.981 0.939 25488 4580 1 8 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.415 0.210 25488 4581 1 8 . 1 1 177 177 ARG H H 177 7.555 7.555 8.174 -0.619 25488 4582 1 8 . 1 1 178 178 TRP N N 178 129.182 129.182 123.138 6.044 25488 4583 1 8 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.761 -0.648 25488 4584 1 8 . 1 1 178 178 TRP H H 178 8.788 8.788 8.636 0.152 25488 4585 1 8 . 1 1 179 179 THR N N 179 112.874 112.874 112.523 0.351 25488 4586 1 8 . 1 1 179 179 THR HA H 179 5.015 5.015 4.746 0.269 25488 4587 1 8 . 1 1 179 179 THR H H 179 8.946 8.946 8.480 0.466 25488 4588 1 8 . 1 1 180 180 ASP N N 180 121.969 121.969 124.474 -2.505 25488 4589 1 8 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.830 -0.408 25488 4590 1 8 . 1 1 180 180 ASP H H 180 8.478 8.478 8.806 -0.328 25488 4591 1 8 . 1 1 181 181 GLY N N 181 110.059 110.059 108.318 1.741 25488 4592 1 8 . 1 1 181 181 GLY H H 181 8.572 8.572 8.398 0.174 25488 4593 1 8 . 1 1 182 182 SER N N 182 115.564 115.564 116.959 -1.395 25488 4594 1 8 . 1 1 182 182 SER HA H 182 4.599 4.599 4.460 0.139 25488 4595 1 8 . 1 1 182 182 SER H H 182 8.173 8.173 8.205 -0.032 25488 4596 1 8 . 1 1 183 183 SER N N 183 117.066 117.066 114.225 2.841 25488 4597 1 8 . 1 1 183 183 SER H H 183 7.819 7.819 8.571 -0.752 25488 4598 1 8 . 1 1 184 184 LEU N N 184 121.954 121.954 118.486 3.468 25488 4599 1 8 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.595 -0.233 25488 4600 1 8 . 1 1 184 184 LEU H H 184 8.104 8.104 7.573 0.531 25488 4601 1 8 . 1 1 185 185 GLY N N 185 108.989 108.989 106.966 2.023 25488 4602 1 8 . 1 1 185 185 GLY H H 185 7.954 7.954 7.349 0.605 25488 4603 1 8 . 1 1 186 186 ILE N N 186 123.084 123.084 120.029 3.055 25488 4604 1 8 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.230 -0.451 25488 4605 1 8 . 1 1 186 186 ILE H H 186 8.878 8.878 7.944 0.934 25488 4606 1 8 . 1 1 187 187 ASN N N 187 126.999 126.999 124.044 2.955 25488 4607 1 8 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.925 -0.529 25488 4608 1 8 . 1 1 187 187 ASN H H 187 8.575 8.575 8.459 0.116 25488 4609 1 8 . 1 1 188 188 PHE N N 188 129.819 129.819 128.367 1.452 25488 4610 1 8 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.360 0.231 25488 4611 1 8 . 1 1 188 188 PHE H H 188 9.365 9.365 9.124 0.241 25488 4612 1 8 . 1 1 189 189 LEU N N 189 119.292 119.292 120.825 -1.533 25488 4613 1 8 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.738 0.095 25488 4614 1 8 . 1 1 189 189 LEU H H 189 8.551 8.551 7.825 0.726 25488 4615 1 8 . 1 1 191 191 ALA N N 191 120.347 120.347 123.200 -2.853 25488 4616 1 8 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.032 0.265 25488 4617 1 8 . 1 1 191 191 ALA H H 191 7.973 7.973 7.644 0.329 25488 4618 1 8 . 1 1 192 192 ALA N N 192 121.365 121.365 120.898 0.467 25488 4619 1 8 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.068 -0.051 25488 4620 1 8 . 1 1 192 192 ALA H H 192 9.258 9.258 8.165 1.093 25488 4621 1 8 . 1 1 193 193 THR N N 193 117.027 117.027 113.270 3.757 25488 4622 1 8 . 1 1 193 193 THR HA H 193 3.825 3.825 3.977 -0.152 25488 4623 1 8 . 1 1 193 193 THR H H 193 8.209 8.209 7.987 0.222 25488 4624 1 8 . 1 1 194 194 HIS N N 194 120.231 120.231 120.082 0.149 25488 4625 1 8 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.375 -0.142 25488 4626 1 8 . 1 1 194 194 HIS H H 194 7.805 7.805 7.786 0.019 25488 4627 1 8 . 1 1 195 195 ALA N N 195 121.346 121.346 123.228 -1.882 25488 4628 1 8 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.103 0.077 25488 4629 1 8 . 1 1 195 195 ALA H H 195 8.693 8.693 8.001 0.692 25488 4630 1 8 . 1 1 196 196 LEU N N 196 114.951 114.951 116.134 -1.183 25488 4631 1 8 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.361 -0.203 25488 4632 1 8 . 1 1 196 196 LEU H H 196 8.714 8.714 8.332 0.382 25488 4633 1 8 . 1 1 197 197 GLY N N 197 107.954 107.954 108.206 -0.252 25488 4634 1 8 . 1 1 197 197 GLY H H 197 7.540 7.540 7.664 -0.124 25488 4635 1 8 . 1 1 198 198 HIS N N 198 121.996 121.996 121.676 0.320 25488 4636 1 8 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.283 0.526 25488 4637 1 8 . 1 1 198 198 HIS H H 198 7.205 7.205 7.804 -0.599 25488 4638 1 8 . 1 1 199 199 SER N N 199 118.570 118.570 114.901 3.669 25488 4639 1 8 . 1 1 199 199 SER HA H 199 4.448 4.448 4.383 0.065 25488 4640 1 8 . 1 1 199 199 SER H H 199 7.886 7.886 8.028 -0.142 25488 4641 1 8 . 1 1 200 200 LEU N N 200 114.779 114.779 117.786 -3.007 25488 4642 1 8 . 1 1 200 200 LEU H H 200 7.106 7.106 7.306 -0.200 25488 4643 1 8 . 1 1 201 201 GLY N N 201 108.350 108.350 107.235 1.115 25488 4644 1 8 . 1 1 201 201 GLY H H 201 8.213 8.213 7.832 0.381 25488 4645 1 8 . 1 1 202 202 MET N N 202 119.623 119.623 120.210 -0.587 25488 4646 1 8 . 1 1 202 202 MET HA H 202 4.484 4.484 4.537 -0.053 25488 4647 1 8 . 1 1 202 202 MET H H 202 8.189 8.189 7.527 0.662 25488 4648 1 8 . 1 1 203 203 GLY N N 203 109.770 109.770 109.042 0.728 25488 4649 1 8 . 1 1 203 203 GLY H H 203 8.413 8.413 8.270 0.143 25488 4650 1 8 . 1 1 204 204 HIS N N 204 115.793 115.793 118.437 -2.644 25488 4651 1 8 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.724 0.650 25488 4652 1 8 . 1 1 204 204 HIS H H 204 8.383 8.383 8.500 -0.117 25488 4653 1 8 . 1 1 205 205 SER N N 205 115.497 115.497 118.393 -2.896 25488 4654 1 8 . 1 1 205 205 SER HA H 205 4.721 4.721 4.676 0.045 25488 4655 1 8 . 1 1 205 205 SER H H 205 7.223 7.223 8.723 -1.500 25488 4656 1 8 . 1 1 206 206 SER N N 206 119.268 119.268 116.238 3.030 25488 4657 1 8 . 1 1 206 206 SER HA H 206 3.721 3.721 4.741 -1.020 25488 4658 1 8 . 1 1 206 206 SER H H 206 8.290 8.290 8.630 -0.340 25488 4659 1 8 . 1 1 207 207 ASP N N 207 126.656 126.656 124.645 2.011 25488 4660 1 8 . 1 1 207 207 ASP H H 207 8.541 8.541 8.022 0.519 25488 4661 1 8 . 1 1 209 209 ASN N N 209 115.911 115.911 116.405 -0.494 25488 4662 1 8 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.745 -0.129 25488 4663 1 8 . 1 1 209 209 ASN H H 209 8.374 8.374 8.595 -0.221 25488 4664 1 8 . 1 1 210 210 ALA N N 210 124.929 124.929 122.913 2.016 25488 4665 1 8 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.379 -0.225 25488 4666 1 8 . 1 1 210 210 ALA H H 210 8.182 8.182 6.976 1.206 25488 4667 1 8 . 1 1 211 211 VAL N N 211 130.383 130.383 123.979 6.404 25488 4668 1 8 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.730 0.520 25488 4669 1 8 . 1 1 211 211 VAL H H 211 11.554 11.554 9.015 2.539 25488 4670 1 8 . 1 1 212 212 MET N N 212 113.319 113.319 112.617 0.702 25488 4671 1 8 . 1 1 212 212 MET H H 212 7.741 7.741 7.929 -0.188 25488 4672 1 8 . 1 1 213 213 TYR N N 213 130.006 130.006 122.721 7.285 25488 4673 1 8 . 1 1 213 213 TYR H H 213 7.899 7.899 7.410 0.489 25488 4674 1 8 . 1 1 215 215 THR N N 215 104.747 104.747 114.276 -9.529 25488 4675 1 8 . 1 1 215 215 THR HA H 215 4.404 4.404 4.645 -0.241 25488 4676 1 8 . 1 1 215 215 THR H H 215 6.402 6.402 7.845 -1.443 25488 4677 1 8 . 1 1 216 216 TYR N N 216 124.699 124.699 125.530 -0.831 25488 4678 1 8 . 1 1 216 216 TYR H H 216 8.341 8.341 8.054 0.287 25488 4679 1 8 . 1 1 217 217 GLY N N 217 116.288 116.288 108.102 8.186 25488 4680 1 8 . 1 1 217 217 GLY H H 217 7.685 7.685 7.803 -0.118 25488 4681 1 8 . 1 1 218 218 ASN N N 218 119.920 119.920 114.883 5.037 25488 4682 1 8 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.929 -0.309 25488 4683 1 8 . 1 1 218 218 ASN H H 218 8.221 8.221 8.540 -0.319 25488 4684 1 8 . 1 1 219 219 GLY N N 219 109.601 109.601 108.534 1.067 25488 4685 1 8 . 1 1 219 219 GLY H H 219 8.072 8.072 7.955 0.117 25488 4686 1 8 . 1 1 220 220 ASP N N 220 123.006 123.006 120.136 2.870 25488 4687 1 8 . 1 1 220 220 ASP H H 220 8.280 8.280 8.194 0.086 25488 4688 1 8 . 1 1 222 222 GLN N N 222 116.642 116.642 124.103 -7.461 25488 4689 1 8 . 1 1 222 222 GLN H H 222 8.215 8.215 8.611 -0.396 25488 4690 1 8 . 1 1 223 223 ASN N N 223 118.361 118.361 116.423 1.938 25488 4691 1 8 . 1 1 223 223 ASN H H 223 7.970 7.970 7.948 0.022 25488 4692 1 8 . 1 1 225 225 LYS N N 225 122.215 122.215 125.316 -3.101 25488 4693 1 8 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.182 0.234 25488 4694 1 8 . 1 1 225 225 LYS H H 225 7.656 7.656 7.472 0.184 25488 4695 1 8 . 1 1 226 226 LEU N N 226 119.165 119.165 120.475 -1.310 25488 4696 1 8 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.528 -0.440 25488 4697 1 8 . 1 1 226 226 LEU H H 226 7.984 7.984 8.195 -0.211 25488 4698 1 8 . 1 1 227 227 SER N N 227 120.520 120.520 116.430 4.090 25488 4699 1 8 . 1 1 227 227 SER HA H 227 4.676 4.676 4.479 0.197 25488 4700 1 8 . 1 1 227 227 SER H H 227 9.646 9.646 8.518 1.128 25488 4701 1 8 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.127 0.547 25488 4702 1 8 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.456 -0.082 25488 4703 1 8 . 1 1 229 229 ASP H H 229 8.113 8.113 7.720 0.393 25488 4704 1 8 . 1 1 230 230 ASP N N 230 119.878 119.878 118.065 1.813 25488 4705 1 8 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.505 -0.167 25488 4706 1 8 . 1 1 230 230 ASP H H 230 7.397 7.397 7.670 -0.273 25488 4707 1 8 . 1 1 231 231 ILE N N 231 120.389 120.389 120.454 -0.065 25488 4708 1 8 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.688 -0.033 25488 4709 1 8 . 1 1 231 231 ILE H H 231 8.100 8.100 7.384 0.716 25488 4710 1 8 . 1 1 232 232 LYS N N 232 119.084 119.084 119.595 -0.511 25488 4711 1 8 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.061 0.034 25488 4712 1 8 . 1 1 232 232 LYS H H 232 8.581 8.581 7.657 0.924 25488 4713 1 8 . 1 1 233 233 GLY N N 233 106.424 106.424 106.614 -0.190 25488 4714 1 8 . 1 1 233 233 GLY H H 233 8.061 8.061 7.557 0.504 25488 4715 1 8 . 1 1 234 234 ILE N N 234 125.166 125.166 121.695 3.471 25488 4716 1 8 . 1 1 234 234 ILE H H 234 8.517 8.517 7.756 0.761 25488 4717 1 8 . 1 1 235 235 GLN N N 235 122.969 122.969 118.619 4.350 25488 4718 1 8 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.071 0.310 25488 4719 1 8 . 1 1 235 235 GLN H H 235 8.291 8.291 7.736 0.555 25488 4720 1 8 . 1 1 236 236 LYS N N 236 123.770 123.770 116.226 7.544 25488 4721 1 8 . 1 1 236 236 LYS H H 236 8.035 8.035 7.717 0.318 25488 4722 1 8 . 1 1 237 237 LEU N N 237 116.854 116.854 118.755 -1.901 25488 4723 1 8 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.067 -0.108 25488 4724 1 8 . 1 1 237 237 LEU H H 237 6.886 6.886 7.249 -0.363 25488 4725 1 8 . 1 1 238 238 TYR N N 238 112.132 112.132 114.779 -2.647 25488 4726 1 8 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.553 0.073 25488 4727 1 8 . 1 1 238 238 TYR H H 238 7.459 7.459 7.355 0.104 25488 4728 1 8 . 1 1 239 239 GLY N N 239 110.898 110.898 106.664 4.234 25488 4729 1 8 . 1 1 239 239 GLY H H 239 8.442 8.442 7.566 0.876 25488 4730 1 8 . 1 1 240 240 LYS N N 240 114.400 114.400 120.604 -6.204 25488 4731 1 8 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.421 0.383 25488 4732 1 8 . 1 1 240 240 LYS H H 240 7.865 7.865 8.463 -0.598 25488 4733 1 8 . 1 1 241 241 ARG N N 241 123.851 123.851 125.600 -1.749 25488 4734 1 8 . 1 1 241 241 ARG H H 241 7.760 7.760 8.748 -0.988 25488 4735 1 8 . 1 1 242 242 SER N N 242 135.647 135.647 114.791 20.856 25488 4736 1 8 . 1 1 242 242 SER H H 242 9.158 9.158 8.281 0.877 25488 4737 1 9 . 1 1 3 3 GLU N N 3 121.690 121.690 120.664 1.026 25488 4738 1 9 . 1 1 3 3 GLU H H 3 8.332 8.332 8.080 0.252 25488 4739 1 9 . 1 1 4 4 ALA N N 4 124.526 124.526 119.842 4.684 25488 4740 1 9 . 1 1 4 4 ALA H H 4 8.111 8.111 8.059 0.052 25488 4741 1 9 . 1 1 5 5 GLY N N 5 108.229 108.229 103.655 4.574 25488 4742 1 9 . 1 1 5 5 GLY H H 5 8.286 8.286 7.621 0.665 25488 4743 1 9 . 1 1 6 6 GLY N N 6 108.867 108.867 108.147 0.720 25488 4744 1 9 . 1 1 6 6 GLY H H 6 8.239 8.239 7.622 0.617 25488 4745 1 9 . 1 1 7 7 MET N N 7 119.984 119.984 121.284 -1.300 25488 4746 1 9 . 1 1 7 7 MET H H 7 8.044 8.044 7.594 0.450 25488 4747 1 9 . 1 1 8 8 SER N N 8 118.771 118.771 119.185 -0.414 25488 4748 1 9 . 1 1 8 8 SER HA H 8 4.239 4.239 4.394 -0.155 25488 4749 1 9 . 1 1 8 8 SER H H 8 8.738 8.738 8.433 0.305 25488 4750 1 9 . 1 1 9 9 GLU N N 9 122.551 122.551 120.264 2.287 25488 4751 1 9 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.346 -0.094 25488 4752 1 9 . 1 1 9 9 GLU H H 9 8.919 8.919 8.895 0.024 25488 4753 1 9 . 1 1 10 10 LEU N N 10 120.638 120.638 118.710 1.928 25488 4754 1 9 . 1 1 10 10 LEU H H 10 8.017 8.017 8.288 -0.271 25488 4755 1 9 . 1 1 11 11 GLN N N 11 119.889 119.889 114.946 4.943 25488 4756 1 9 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.113 0.021 25488 4757 1 9 . 1 1 11 11 GLN H H 11 7.807 7.807 8.513 -0.706 25488 4758 1 9 . 1 1 12 12 TRP N N 12 120.951 120.951 123.528 -2.577 25488 4759 1 9 . 1 1 12 12 TRP H H 12 8.202 8.202 7.812 0.390 25488 4760 1 9 . 1 1 13 13 GLU N N 13 121.870 121.870 119.732 2.138 25488 4761 1 9 . 1 1 13 13 GLU H H 13 8.436 8.436 9.030 -0.594 25488 4762 1 9 . 1 1 14 14 GLN N N 14 120.646 120.646 117.862 2.784 25488 4763 1 9 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.244 -0.075 25488 4764 1 9 . 1 1 14 14 GLN H H 14 8.159 8.159 7.953 0.206 25488 4765 1 9 . 1 1 15 15 ALA N N 15 123.216 123.216 122.732 0.484 25488 4766 1 9 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.170 0.168 25488 4767 1 9 . 1 1 15 15 ALA H H 15 8.355 8.355 7.659 0.696 25488 4768 1 9 . 1 1 16 16 GLN N N 16 117.766 117.766 116.920 0.846 25488 4769 1 9 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.158 -0.453 25488 4770 1 9 . 1 1 16 16 GLN H H 16 8.440 8.440 8.374 0.066 25488 4771 1 9 . 1 1 17 17 ASP N N 17 120.090 120.090 120.055 0.035 25488 4772 1 9 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.339 0.124 25488 4773 1 9 . 1 1 17 17 ASP H H 17 7.899 7.899 7.634 0.265 25488 4774 1 9 . 1 1 18 18 TYR N N 18 122.296 122.296 119.842 2.454 25488 4775 1 9 . 1 1 18 18 TYR H H 18 8.264 8.264 7.492 0.772 25488 4776 1 9 . 1 1 19 19 LEU N N 19 117.675 117.675 115.697 1.978 25488 4777 1 9 . 1 1 19 19 LEU HA H 19 4.125 4.125 2.042 2.083 25488 4778 1 9 . 1 1 19 19 LEU H H 19 8.687 8.687 7.657 1.030 25488 4779 1 9 . 1 1 20 20 LYS N N 20 124.620 124.620 118.657 5.963 25488 4780 1 9 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.979 0.164 25488 4781 1 9 . 1 1 20 20 LYS H H 20 8.790 8.790 7.527 1.263 25488 4782 1 9 . 1 1 21 21 ARG N N 21 117.608 117.608 116.686 0.922 25488 4783 1 9 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.994 -0.297 25488 4784 1 9 . 1 1 21 21 ARG H H 21 7.835 7.835 7.005 0.830 25488 4785 1 9 . 1 1 22 22 PHE N N 22 112.136 112.136 115.680 -3.544 25488 4786 1 9 . 1 1 22 22 PHE H H 22 8.003 8.003 7.212 0.791 25488 4787 1 9 . 1 1 23 23 TYR N N 23 116.244 116.244 114.729 1.515 25488 4788 1 9 . 1 1 23 23 TYR H H 23 7.678 7.678 7.414 0.264 25488 4789 1 9 . 1 1 24 24 LEU N N 24 115.582 115.582 116.328 -0.746 25488 4790 1 9 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.127 0.008 25488 4791 1 9 . 1 1 24 24 LEU H H 24 7.238 7.238 7.237 0.001 25488 4792 1 9 . 1 1 25 25 TYR N N 25 119.996 119.996 117.024 2.972 25488 4793 1 9 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.645 -0.240 25488 4794 1 9 . 1 1 25 25 TYR H H 25 7.826 7.826 7.619 0.207 25488 4795 1 9 . 1 1 26 26 ASP N N 26 129.292 129.292 122.494 6.798 25488 4796 1 9 . 1 1 26 26 ASP HA H 26 4.461 4.461 5.012 -0.551 25488 4797 1 9 . 1 1 26 26 ASP H H 26 8.121 8.121 8.038 0.083 25488 4798 1 9 . 1 1 28 28 GLU N N 28 122.115 122.115 121.871 0.244 25488 4799 1 9 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.140 0.141 25488 4800 1 9 . 1 1 28 28 GLU H H 28 8.262 8.262 8.098 0.164 25488 4801 1 9 . 1 1 29 29 THR N N 29 114.171 114.171 112.390 1.781 25488 4802 1 9 . 1 1 29 29 THR HA H 29 4.222 4.222 4.175 0.047 25488 4803 1 9 . 1 1 29 29 THR H H 29 7.496 7.496 8.082 -0.586 25488 4804 1 9 . 1 1 30 30 LYS N N 30 123.019 123.019 121.775 1.244 25488 4805 1 9 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.238 -0.020 25488 4806 1 9 . 1 1 30 30 LYS H H 30 8.154 8.154 7.348 0.806 25488 4807 1 9 . 1 1 32 32 ALA N N 32 126.481 126.481 127.545 -1.064 25488 4808 1 9 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.002 0.248 25488 4809 1 9 . 1 1 32 32 ALA H H 32 8.424 8.424 8.666 -0.242 25488 4810 1 9 . 1 1 33 33 ASN N N 33 116.834 116.834 116.355 0.479 25488 4811 1 9 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.440 0.258 25488 4812 1 9 . 1 1 33 33 ASN H H 33 8.312 8.312 7.846 0.466 25488 4813 1 9 . 1 1 34 34 SER N N 34 116.960 116.960 116.689 0.271 25488 4814 1 9 . 1 1 34 34 SER HA H 34 4.522 4.522 4.069 0.453 25488 4815 1 9 . 1 1 34 34 SER H H 34 8.112 8.112 7.685 0.427 25488 4816 1 9 . 1 1 35 35 LEU N N 35 125.335 125.335 123.376 1.959 25488 4817 1 9 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.007 -0.456 25488 4818 1 9 . 1 1 35 35 LEU H H 35 8.324 8.324 8.669 -0.345 25488 4819 1 9 . 1 1 36 36 GLU N N 36 119.302 119.302 118.593 0.709 25488 4820 1 9 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.854 0.089 25488 4821 1 9 . 1 1 36 36 GLU H H 36 8.239 8.239 8.075 0.164 25488 4822 1 9 . 1 1 37 37 ALA N N 37 120.683 120.683 121.158 -0.475 25488 4823 1 9 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.090 -0.043 25488 4824 1 9 . 1 1 37 37 ALA H H 37 7.898 7.898 7.292 0.606 25488 4825 1 9 . 1 1 38 38 LYS N N 38 119.470 119.470 119.693 -0.223 25488 4826 1 9 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.023 0.310 25488 4827 1 9 . 1 1 38 38 LYS H H 38 8.217 8.217 7.725 0.492 25488 4828 1 9 . 1 1 39 39 LEU N N 39 122.664 122.664 119.560 3.104 25488 4829 1 9 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.027 -0.113 25488 4830 1 9 . 1 1 39 39 LEU H H 39 8.658 8.658 8.712 -0.054 25488 4831 1 9 . 1 1 40 40 LYS N N 40 118.301 118.301 118.416 -0.115 25488 4832 1 9 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.112 0.561 25488 4833 1 9 . 1 1 40 40 LYS H H 40 8.221 8.221 7.702 0.519 25488 4834 1 9 . 1 1 41 41 GLU N N 41 121.462 121.462 119.461 2.001 25488 4835 1 9 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.250 -0.182 25488 4836 1 9 . 1 1 41 41 GLU H H 41 7.736 7.736 7.813 -0.077 25488 4837 1 9 . 1 1 42 42 MET N N 42 123.761 123.761 120.756 3.005 25488 4838 1 9 . 1 1 42 42 MET HA H 42 4.046 4.046 4.321 -0.275 25488 4839 1 9 . 1 1 42 42 MET H H 42 7.672 7.672 8.721 -1.049 25488 4840 1 9 . 1 1 43 43 GLN N N 43 120.035 120.035 118.912 1.123 25488 4841 1 9 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.028 -0.232 25488 4842 1 9 . 1 1 43 43 GLN H H 43 8.904 8.904 8.553 0.351 25488 4843 1 9 . 1 1 44 44 LYS N N 44 119.131 119.131 120.772 -1.641 25488 4844 1 9 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.132 -0.080 25488 4845 1 9 . 1 1 44 44 LYS H H 44 8.511 8.511 7.841 0.670 25488 4846 1 9 . 1 1 45 45 PHE N N 45 123.544 123.544 120.768 2.776 25488 4847 1 9 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.286 -0.436 25488 4848 1 9 . 1 1 45 45 PHE H H 45 8.438 8.438 8.065 0.373 25488 4849 1 9 . 1 1 46 46 PHE N N 46 112.789 112.789 116.640 -3.851 25488 4850 1 9 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.111 0.471 25488 4851 1 9 . 1 1 46 46 PHE H H 46 8.273 8.273 8.114 0.159 25488 4852 1 9 . 1 1 47 47 GLY N N 47 110.408 110.408 106.253 4.155 25488 4853 1 9 . 1 1 47 47 GLY H H 47 7.922 7.922 7.683 0.239 25488 4854 1 9 . 1 1 48 48 LEU N N 48 121.853 121.853 122.692 -0.839 25488 4855 1 9 . 1 1 48 48 LEU H H 48 8.747 8.747 7.666 1.081 25488 4856 1 9 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.273 -0.072 25488 4857 1 9 . 1 1 50 50 ILE N N 50 127.000 127.000 119.845 7.155 25488 4858 1 9 . 1 1 50 50 ILE H H 50 8.529 8.529 7.703 0.826 25488 4859 1 9 . 1 1 51 51 THR N N 51 116.519 116.519 118.278 -1.759 25488 4860 1 9 . 1 1 51 51 THR H H 51 7.980 7.980 8.248 -0.268 25488 4861 1 9 . 1 1 52 52 GLY N N 52 112.725 112.725 114.038 -1.313 25488 4862 1 9 . 1 1 52 52 GLY H H 52 9.483 9.483 9.851 -0.368 25488 4863 1 9 . 1 1 53 53 MET N N 53 116.735 116.735 121.255 -4.520 25488 4864 1 9 . 1 1 53 53 MET HA H 53 4.044 4.044 4.640 -0.596 25488 4865 1 9 . 1 1 53 53 MET H H 53 7.969 7.969 7.686 0.283 25488 4866 1 9 . 1 1 54 54 LEU N N 54 122.602 122.602 128.466 -5.864 25488 4867 1 9 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.405 -0.699 25488 4868 1 9 . 1 1 54 54 LEU H H 54 7.926 7.926 8.604 -0.678 25488 4869 1 9 . 1 1 55 55 ASN N N 55 115.755 115.755 119.248 -3.493 25488 4870 1 9 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.896 -0.156 25488 4871 1 9 . 1 1 55 55 ASN H H 55 6.555 6.555 8.205 -1.650 25488 4872 1 9 . 1 1 56 56 SER N N 56 121.450 121.450 115.033 6.417 25488 4873 1 9 . 1 1 56 56 SER HA H 56 4.662 4.662 4.076 0.586 25488 4874 1 9 . 1 1 56 56 SER H H 56 8.205 8.205 8.708 -0.503 25488 4875 1 9 . 1 1 57 57 ARG N N 57 123.219 123.219 122.715 0.504 25488 4876 1 9 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.010 0.196 25488 4877 1 9 . 1 1 57 57 ARG H H 57 7.883 7.883 7.752 0.131 25488 4878 1 9 . 1 1 58 58 VAL N N 58 118.843 118.843 119.852 -1.009 25488 4879 1 9 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.519 -0.219 25488 4880 1 9 . 1 1 58 58 VAL H H 58 7.594 7.594 7.590 0.004 25488 4881 1 9 . 1 1 59 59 ILE N N 59 119.212 119.212 118.513 0.699 25488 4882 1 9 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.446 0.023 25488 4883 1 9 . 1 1 59 59 ILE H H 59 7.326 7.326 7.119 0.207 25488 4884 1 9 . 1 1 60 60 GLU N N 60 119.544 119.544 120.467 -0.923 25488 4885 1 9 . 1 1 60 60 GLU H H 60 7.880 7.880 7.460 0.420 25488 4886 1 9 . 1 1 61 61 ILE N N 61 118.812 118.812 115.380 3.432 25488 4887 1 9 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.683 -0.241 25488 4888 1 9 . 1 1 61 61 ILE H H 61 7.217 7.217 8.183 -0.966 25488 4889 1 9 . 1 1 62 62 MET N N 62 120.202 120.202 118.133 2.069 25488 4890 1 9 . 1 1 62 62 MET HA H 62 3.419 3.419 4.270 -0.851 25488 4891 1 9 . 1 1 62 62 MET H H 62 7.820 7.820 7.523 0.297 25488 4892 1 9 . 1 1 63 63 GLN N N 63 116.274 116.274 116.132 0.142 25488 4893 1 9 . 1 1 63 63 GLN HA H 63 4.241 4.241 3.937 0.304 25488 4894 1 9 . 1 1 63 63 GLN H H 63 7.442 7.442 7.854 -0.412 25488 4895 1 9 . 1 1 64 64 LYS N N 64 121.450 121.450 122.505 -1.055 25488 4896 1 9 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.157 0.342 25488 4897 1 9 . 1 1 64 64 LYS H H 64 7.474 7.474 7.277 0.197 25488 4898 1 9 . 1 1 66 66 ARG N N 66 113.173 113.173 121.359 -8.186 25488 4899 1 9 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.516 -0.077 25488 4900 1 9 . 1 1 66 66 ARG H H 66 8.151 8.151 7.835 0.316 25488 4901 1 9 . 1 1 67 67 CYS N N 67 121.794 121.794 119.596 2.198 25488 4902 1 9 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.471 -0.051 25488 4903 1 9 . 1 1 67 67 CYS H H 67 7.709 7.709 8.530 -0.821 25488 4904 1 9 . 1 1 68 68 GLY N N 68 116.255 116.255 115.442 0.813 25488 4905 1 9 . 1 1 68 68 GLY H H 68 9.707 9.707 8.484 1.223 25488 4906 1 9 . 1 1 69 69 VAL N N 69 126.541 126.541 116.124 10.417 25488 4907 1 9 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.265 -0.458 25488 4908 1 9 . 1 1 69 69 VAL H H 69 9.118 9.118 6.975 2.143 25488 4909 1 9 . 1 1 71 71 ASP N N 71 119.114 119.114 123.141 -4.027 25488 4910 1 9 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.659 -0.176 25488 4911 1 9 . 1 1 71 71 ASP H H 71 8.067 8.067 8.677 -0.610 25488 4912 1 9 . 1 1 72 72 VAL N N 72 112.988 112.988 118.796 -5.808 25488 4913 1 9 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.249 0.032 25488 4914 1 9 . 1 1 72 72 VAL H H 72 6.438 6.438 7.609 -1.171 25488 4915 1 9 . 1 1 73 73 ALA N N 73 125.902 125.902 126.185 -0.283 25488 4916 1 9 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.137 0.130 25488 4917 1 9 . 1 1 73 73 ALA H H 73 8.171 8.171 8.454 -0.283 25488 4918 1 9 . 1 1 74 74 GLU N N 74 120.835 120.835 124.555 -3.720 25488 4919 1 9 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.514 -0.431 25488 4920 1 9 . 1 1 74 74 GLU H H 74 8.385 8.385 7.807 0.578 25488 4921 1 9 . 1 1 75 75 TYR N N 75 121.820 121.820 118.634 3.186 25488 4922 1 9 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.251 0.143 25488 4923 1 9 . 1 1 75 75 TYR H H 75 8.102 8.102 8.713 -0.611 25488 4924 1 9 . 1 1 76 76 SER N N 76 117.881 117.881 119.387 -1.506 25488 4925 1 9 . 1 1 76 76 SER H H 76 7.718 7.718 8.371 -0.653 25488 4926 1 9 . 1 1 77 77 LEU N N 77 123.835 123.835 121.381 2.454 25488 4927 1 9 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.390 -0.298 25488 4928 1 9 . 1 1 77 77 LEU H H 77 8.033 8.033 7.314 0.719 25488 4929 1 9 . 1 1 78 78 PHE N N 78 118.893 118.893 115.359 3.534 25488 4930 1 9 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.931 -0.086 25488 4931 1 9 . 1 1 78 78 PHE H H 78 7.822 7.822 6.955 0.867 25488 4932 1 9 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.348 -0.017 25488 4933 1 9 . 1 1 80 80 ASN N N 80 118.184 118.184 120.814 -2.630 25488 4934 1 9 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.798 -0.118 25488 4935 1 9 . 1 1 80 80 ASN H H 80 8.106 8.106 8.368 -0.262 25488 4936 1 9 . 1 1 81 81 SER HA H 81 4.636 4.636 4.277 0.359 25488 4937 1 9 . 1 1 83 83 LYS N N 83 114.696 114.696 120.840 -6.144 25488 4938 1 9 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.408 -0.185 25488 4939 1 9 . 1 1 83 83 LYS H H 83 7.361 7.361 7.638 -0.277 25488 4940 1 9 . 1 1 84 84 TRP N N 84 122.459 122.459 120.184 2.275 25488 4941 1 9 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.794 -0.791 25488 4942 1 9 . 1 1 84 84 TRP H H 84 8.020 8.020 8.745 -0.725 25488 4943 1 9 . 1 1 85 85 THR N N 85 113.482 113.482 117.687 -4.205 25488 4944 1 9 . 1 1 85 85 THR HA H 85 4.586 4.586 4.431 0.155 25488 4945 1 9 . 1 1 85 85 THR H H 85 8.833 8.833 8.880 -0.047 25488 4946 1 9 . 1 1 86 86 SER N N 86 117.316 117.316 116.007 1.309 25488 4947 1 9 . 1 1 86 86 SER HA H 86 4.665 4.665 4.594 0.071 25488 4948 1 9 . 1 1 86 86 SER H H 86 7.724 7.724 8.310 -0.586 25488 4949 1 9 . 1 1 87 87 LYS N N 87 120.411 120.411 122.469 -2.058 25488 4950 1 9 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.078 0.061 25488 4951 1 9 . 1 1 87 87 LYS H H 87 8.312 8.312 8.681 -0.369 25488 4952 1 9 . 1 1 88 88 VAL N N 88 117.674 117.674 118.796 -1.122 25488 4953 1 9 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.692 -0.041 25488 4954 1 9 . 1 1 88 88 VAL H H 88 7.425 7.425 7.192 0.233 25488 4955 1 9 . 1 1 89 89 VAL N N 89 131.493 131.493 126.211 5.282 25488 4956 1 9 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.232 -0.091 25488 4957 1 9 . 1 1 89 89 VAL H H 89 8.574 8.574 8.862 -0.288 25488 4958 1 9 . 1 1 90 90 THR N N 90 118.245 118.245 113.878 4.367 25488 4959 1 9 . 1 1 90 90 THR HA H 90 5.627 5.627 5.631 -0.004 25488 4960 1 9 . 1 1 90 90 THR H H 90 9.021 9.021 8.767 0.254 25488 4961 1 9 . 1 1 91 91 TYR N N 91 118.267 118.267 116.939 1.328 25488 4962 1 9 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.627 0.047 25488 4963 1 9 . 1 1 91 91 TYR H H 91 8.555 8.555 8.157 0.398 25488 4964 1 9 . 1 1 92 92 ARG N N 92 120.260 120.260 121.434 -1.174 25488 4965 1 9 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.110 -0.464 25488 4966 1 9 . 1 1 92 92 ARG H H 92 8.513 8.513 8.384 0.129 25488 4967 1 9 . 1 1 93 93 ILE N N 93 128.361 128.361 126.489 1.872 25488 4968 1 9 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.464 0.155 25488 4969 1 9 . 1 1 93 93 ILE H H 93 8.878 8.878 8.928 -0.050 25488 4970 1 9 . 1 1 94 94 VAL N N 94 126.374 126.374 127.814 -1.440 25488 4971 1 9 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.041 -0.041 25488 4972 1 9 . 1 1 94 94 VAL H H 94 9.492 9.492 8.937 0.555 25488 4973 1 9 . 1 1 95 95 SER N N 95 113.303 113.303 112.472 0.831 25488 4974 1 9 . 1 1 95 95 SER HA H 95 4.705 4.705 4.789 -0.084 25488 4975 1 9 . 1 1 95 95 SER H H 95 7.431 7.431 7.613 -0.182 25488 4976 1 9 . 1 1 96 96 TYR N N 96 117.054 117.054 117.542 -0.488 25488 4977 1 9 . 1 1 96 96 TYR H H 96 8.255 8.255 7.937 0.318 25488 4978 1 9 . 1 1 98 98 ARG N N 98 128.445 128.445 122.383 6.062 25488 4979 1 9 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.356 -0.018 25488 4980 1 9 . 1 1 98 98 ARG H H 98 8.964 8.964 8.339 0.625 25488 4981 1 9 . 1 1 99 99 ASP N N 99 120.412 120.412 119.682 0.730 25488 4982 1 9 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.530 -0.195 25488 4983 1 9 . 1 1 99 99 ASP H H 99 8.695 8.695 8.351 0.344 25488 4984 1 9 . 1 1 100 100 LEU N N 100 116.851 116.851 119.065 -2.214 25488 4985 1 9 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.843 0.090 25488 4986 1 9 . 1 1 100 100 LEU H H 100 6.902 6.902 7.664 -0.762 25488 4987 1 9 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.986 0.181 25488 4988 1 9 . 1 1 103 103 ILE N N 103 115.469 115.469 113.327 2.142 25488 4989 1 9 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.956 0.217 25488 4990 1 9 . 1 1 103 103 ILE H H 103 8.296 8.296 8.212 0.084 25488 4991 1 9 . 1 1 104 104 THR N N 104 119.413 119.413 116.129 3.284 25488 4992 1 9 . 1 1 104 104 THR HA H 104 4.019 4.019 4.181 -0.162 25488 4993 1 9 . 1 1 104 104 THR H H 104 6.915 6.915 7.789 -0.874 25488 4994 1 9 . 1 1 105 105 VAL N N 105 123.232 123.232 121.463 1.769 25488 4995 1 9 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.987 -0.573 25488 4996 1 9 . 1 1 105 105 VAL H H 105 7.379 7.379 7.829 -0.450 25488 4997 1 9 . 1 1 106 106 ASP N N 106 120.160 120.160 119.297 0.863 25488 4998 1 9 . 1 1 106 106 ASP H H 106 8.615 8.615 8.227 0.388 25488 4999 1 9 . 1 1 107 107 ARG N N 107 121.041 121.041 117.543 3.498 25488 5000 1 9 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.194 -0.104 25488 5001 1 9 . 1 1 107 107 ARG H H 107 8.372 8.372 7.499 0.873 25488 5002 1 9 . 1 1 108 108 LEU N N 108 121.644 121.644 120.223 1.421 25488 5003 1 9 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.053 0.200 25488 5004 1 9 . 1 1 108 108 LEU H H 108 8.768 8.768 7.602 1.166 25488 5005 1 9 . 1 1 109 109 VAL N N 109 120.347 120.347 115.665 4.682 25488 5006 1 9 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.574 -0.203 25488 5007 1 9 . 1 1 109 109 VAL H H 109 8.762 8.762 8.350 0.412 25488 5008 1 9 . 1 1 110 110 SER N N 110 112.949 112.949 117.293 -4.344 25488 5009 1 9 . 1 1 110 110 SER HA H 110 4.270 4.270 3.982 0.288 25488 5010 1 9 . 1 1 110 110 SER H H 110 7.605 7.605 7.871 -0.266 25488 5011 1 9 . 1 1 111 111 LYS N N 111 122.434 122.434 121.616 0.818 25488 5012 1 9 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.035 0.007 25488 5013 1 9 . 1 1 111 111 LYS H H 111 8.146 8.146 7.345 0.801 25488 5014 1 9 . 1 1 112 112 ALA N N 112 124.099 124.099 122.032 2.067 25488 5015 1 9 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.945 0.132 25488 5016 1 9 . 1 1 112 112 ALA H H 112 8.270 8.270 7.818 0.452 25488 5017 1 9 . 1 1 113 113 LEU N N 113 116.251 116.251 118.443 -2.192 25488 5018 1 9 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.742 -0.020 25488 5019 1 9 . 1 1 113 113 LEU H H 113 8.019 8.019 7.583 0.436 25488 5020 1 9 . 1 1 114 114 ASN N N 114 116.659 116.659 116.231 0.428 25488 5021 1 9 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.539 -0.010 25488 5022 1 9 . 1 1 114 114 ASN H H 114 8.197 8.197 8.061 0.136 25488 5023 1 9 . 1 1 115 115 MET N N 115 122.118 122.118 119.116 3.002 25488 5024 1 9 . 1 1 115 115 MET HA H 115 4.013 4.013 4.226 -0.213 25488 5025 1 9 . 1 1 115 115 MET H H 115 7.918 7.918 7.624 0.294 25488 5026 1 9 . 1 1 116 116 TRP N N 116 117.117 117.117 117.473 -0.356 25488 5027 1 9 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.577 -0.067 25488 5028 1 9 . 1 1 116 116 TRP H H 116 6.773 6.773 7.525 -0.752 25488 5029 1 9 . 1 1 117 117 GLY N N 117 104.656 104.656 106.116 -1.460 25488 5030 1 9 . 1 1 117 117 GLY H H 117 9.305 9.305 8.372 0.933 25488 5031 1 9 . 1 1 118 118 LYS N N 118 118.567 118.567 119.367 -0.800 25488 5032 1 9 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.370 -0.193 25488 5033 1 9 . 1 1 118 118 LYS H H 118 7.947 7.947 7.599 0.348 25488 5034 1 9 . 1 1 119 119 GLU N N 119 113.899 113.899 118.717 -4.818 25488 5035 1 9 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.497 0.311 25488 5036 1 9 . 1 1 119 119 GLU H H 119 7.773 7.773 7.783 -0.010 25488 5037 1 9 . 1 1 120 120 ILE N N 120 111.215 111.215 113.218 -2.003 25488 5038 1 9 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.867 0.454 25488 5039 1 9 . 1 1 120 120 ILE H H 120 7.528 7.528 7.319 0.208 25488 5040 1 9 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.516 0.105 25488 5041 1 9 . 1 1 122 122 LEU N N 122 121.481 121.481 120.565 0.916 25488 5042 1 9 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.311 -0.019 25488 5043 1 9 . 1 1 122 122 LEU H H 122 6.815 6.815 7.947 -1.132 25488 5044 1 9 . 1 1 123 123 HIS N N 123 120.769 120.769 119.438 1.331 25488 5045 1 9 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.804 -0.212 25488 5046 1 9 . 1 1 123 123 HIS H H 123 7.709 7.709 8.789 -1.080 25488 5047 1 9 . 1 1 124 124 PHE N N 124 120.530 120.530 124.802 -4.272 25488 5048 1 9 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.887 0.925 25488 5049 1 9 . 1 1 124 124 PHE H H 124 8.306 8.306 8.986 -0.680 25488 5050 1 9 . 1 1 125 125 ARG N N 125 123.891 123.891 124.783 -0.892 25488 5051 1 9 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.633 0.020 25488 5052 1 9 . 1 1 125 125 ARG H H 125 8.408 8.408 8.966 -0.558 25488 5053 1 9 . 1 1 126 126 LYS N N 126 130.178 130.178 123.245 6.933 25488 5054 1 9 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.693 -0.332 25488 5055 1 9 . 1 1 126 126 LYS H H 126 8.468 8.468 8.225 0.243 25488 5056 1 9 . 1 1 127 127 VAL N N 127 125.180 125.180 124.401 0.779 25488 5057 1 9 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.279 0.229 25488 5058 1 9 . 1 1 127 127 VAL H H 127 8.679 8.679 8.661 0.018 25488 5059 1 9 . 1 1 128 128 VAL N N 128 117.584 117.584 118.499 -0.915 25488 5060 1 9 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.186 0.100 25488 5061 1 9 . 1 1 128 128 VAL H H 128 8.469 8.469 8.093 0.376 25488 5062 1 9 . 1 1 129 129 TRP N N 129 119.805 119.805 121.829 -2.024 25488 5063 1 9 . 1 1 129 129 TRP HA H 129 4.686 4.686 5.091 -0.405 25488 5064 1 9 . 1 1 129 129 TRP H H 129 7.447 7.447 7.688 -0.241 25488 5065 1 9 . 1 1 130 130 GLY N N 130 109.844 109.844 112.071 -2.227 25488 5066 1 9 . 1 1 130 130 GLY H H 130 8.072 8.072 8.263 -0.191 25488 5067 1 9 . 1 1 131 131 THR N N 131 116.125 116.125 111.580 4.545 25488 5068 1 9 . 1 1 131 131 THR HA H 131 4.123 4.123 4.419 -0.296 25488 5069 1 9 . 1 1 131 131 THR H H 131 8.196 8.196 8.249 -0.053 25488 5070 1 9 . 1 1 132 132 ALA N N 132 129.613 129.613 125.941 3.672 25488 5071 1 9 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.493 0.018 25488 5072 1 9 . 1 1 132 132 ALA H H 132 7.919 7.919 7.999 -0.080 25488 5073 1 9 . 1 1 133 133 ASP N N 133 123.004 123.004 120.724 2.280 25488 5074 1 9 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.482 -0.040 25488 5075 1 9 . 1 1 133 133 ASP H H 133 8.248 8.248 8.466 -0.218 25488 5076 1 9 . 1 1 134 134 ILE N N 134 125.478 125.478 120.578 4.900 25488 5077 1 9 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.451 -0.358 25488 5078 1 9 . 1 1 134 134 ILE H H 134 8.804 8.804 7.503 1.301 25488 5079 1 9 . 1 1 135 135 MET N N 135 127.471 127.471 127.212 0.259 25488 5080 1 9 . 1 1 135 135 MET HA H 135 5.194 5.194 4.843 0.351 25488 5081 1 9 . 1 1 135 135 MET H H 135 7.437 7.437 8.780 -1.343 25488 5082 1 9 . 1 1 136 136 ILE N N 136 125.040 125.040 126.123 -1.083 25488 5083 1 9 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.951 0.626 25488 5084 1 9 . 1 1 136 136 ILE H H 136 9.085 9.085 8.930 0.155 25488 5085 1 9 . 1 1 137 137 GLY N N 137 112.059 112.059 114.716 -2.657 25488 5086 1 9 . 1 1 137 137 GLY H H 137 8.568 8.568 8.906 -0.338 25488 5087 1 9 . 1 1 138 138 PHE N N 138 119.447 119.447 121.241 -1.794 25488 5088 1 9 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.337 0.117 25488 5089 1 9 . 1 1 138 138 PHE H H 138 7.861 7.861 8.868 -1.007 25488 5090 1 9 . 1 1 139 139 ALA N N 139 123.657 123.657 125.940 -2.283 25488 5091 1 9 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.790 -0.055 25488 5092 1 9 . 1 1 139 139 ALA H H 139 8.939 8.939 8.769 0.170 25488 5093 1 9 . 1 1 140 140 ARG N N 140 118.688 118.688 118.540 0.148 25488 5094 1 9 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.801 0.273 25488 5095 1 9 . 1 1 140 140 ARG H H 140 8.563 8.563 8.593 -0.030 25488 5096 1 9 . 1 1 141 141 GLY N N 141 108.964 108.964 106.732 2.232 25488 5097 1 9 . 1 1 141 141 GLY H H 141 9.018 9.018 9.118 -0.100 25488 5098 1 9 . 1 1 143 143 HIS N N 143 120.218 120.218 115.785 4.433 25488 5099 1 9 . 1 1 143 143 HIS H H 143 8.998 8.998 8.082 0.916 25488 5100 1 9 . 1 1 145 145 ASP N N 145 117.684 117.684 120.365 -2.681 25488 5101 1 9 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.790 -0.090 25488 5102 1 9 . 1 1 145 145 ASP H H 145 7.088 7.088 7.961 -0.873 25488 5103 1 9 . 1 1 146 146 SER HA H 146 4.140 4.140 4.252 -0.112 25488 5104 1 9 . 1 1 146 146 SER H H 146 8.220 8.220 8.143 0.077 25488 5105 1 9 . 1 1 147 147 TYR N N 147 120.867 120.867 117.375 3.492 25488 5106 1 9 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.235 0.553 25488 5107 1 9 . 1 1 147 147 TYR H H 147 7.459 7.459 7.925 -0.466 25488 5108 1 9 . 1 1 149 149 PHE N N 149 120.630 120.630 120.058 0.572 25488 5109 1 9 . 1 1 149 149 PHE H H 149 8.018 8.018 8.458 -0.440 25488 5110 1 9 . 1 1 150 150 ASP N N 150 115.626 115.626 119.095 -3.469 25488 5111 1 9 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.279 0.564 25488 5112 1 9 . 1 1 150 150 ASP H H 150 7.543 7.543 8.078 -0.535 25488 5113 1 9 . 1 1 151 151 GLY N N 151 110.700 110.700 109.675 1.025 25488 5114 1 9 . 1 1 151 151 GLY H H 151 9.074 9.074 7.970 1.104 25488 5115 1 9 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.249 -0.223 25488 5116 1 9 . 1 1 153 153 GLY N N 153 118.786 118.786 113.401 5.385 25488 5117 1 9 . 1 1 153 153 GLY H H 153 11.385 11.385 9.061 2.324 25488 5118 1 9 . 1 1 154 154 ASN N N 154 120.613 120.613 117.978 2.635 25488 5119 1 9 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.369 -0.171 25488 5120 1 9 . 1 1 154 154 ASN H H 154 9.225 9.225 8.598 0.627 25488 5121 1 9 . 1 1 155 155 THR N N 155 118.700 118.700 112.270 6.430 25488 5122 1 9 . 1 1 155 155 THR HA H 155 5.542 5.542 4.193 1.349 25488 5123 1 9 . 1 1 155 155 THR H H 155 9.519 9.519 8.449 1.070 25488 5124 1 9 . 1 1 156 156 LEU N N 156 122.765 122.765 115.181 7.584 25488 5125 1 9 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.893 0.049 25488 5126 1 9 . 1 1 156 156 LEU H H 156 8.500 8.500 8.067 0.433 25488 5127 1 9 . 1 1 157 157 ALA N N 157 115.545 115.545 119.950 -4.405 25488 5128 1 9 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.950 0.057 25488 5129 1 9 . 1 1 157 157 ALA H H 157 7.545 7.545 7.448 0.097 25488 5130 1 9 . 1 1 158 158 HIS N N 158 111.868 111.868 117.877 -6.009 25488 5131 1 9 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.891 -0.274 25488 5132 1 9 . 1 1 158 158 HIS H H 158 8.774 8.774 7.922 0.852 25488 5133 1 9 . 1 1 159 159 ALA N N 159 118.565 118.565 125.951 -7.386 25488 5134 1 9 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.839 -0.182 25488 5135 1 9 . 1 1 159 159 ALA H H 159 6.114 6.114 8.357 -2.243 25488 5136 1 9 . 1 1 160 160 PHE N N 160 118.042 118.042 119.600 -1.558 25488 5137 1 9 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.857 -0.376 25488 5138 1 9 . 1 1 160 160 PHE H H 160 7.897 7.897 8.087 -0.190 25488 5139 1 9 . 1 1 161 161 ALA N N 161 123.548 123.548 123.068 0.480 25488 5140 1 9 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.572 -0.089 25488 5141 1 9 . 1 1 161 161 ALA H H 161 8.089 8.089 8.289 -0.200 25488 5142 1 9 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.334 -0.463 25488 5143 1 9 . 1 1 163 163 GLY N N 163 107.255 107.255 110.637 -3.382 25488 5144 1 9 . 1 1 163 163 GLY H H 163 5.992 5.992 7.404 -1.412 25488 5145 1 9 . 1 1 165 165 GLY H H 165 9.149 9.149 8.340 0.809 25488 5146 1 9 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.376 -0.223 25488 5147 1 9 . 1 1 167 167 GLY N N 167 103.338 103.338 103.176 0.162 25488 5148 1 9 . 1 1 167 167 GLY H H 167 7.774 7.774 7.418 0.356 25488 5149 1 9 . 1 1 168 168 GLY N N 168 121.031 121.031 107.429 13.602 25488 5150 1 9 . 1 1 168 168 GLY H H 168 7.685 7.685 8.198 -0.513 25488 5151 1 9 . 1 1 169 169 ASP N N 169 123.703 123.703 123.172 0.531 25488 5152 1 9 . 1 1 169 169 ASP H H 169 8.578 8.578 7.989 0.589 25488 5153 1 9 . 1 1 170 170 ALA N N 170 119.569 119.569 123.508 -3.939 25488 5154 1 9 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.673 0.031 25488 5155 1 9 . 1 1 170 170 ALA H H 170 8.371 8.371 8.803 -0.432 25488 5156 1 9 . 1 1 171 171 HIS N N 171 120.286 120.286 119.972 0.314 25488 5157 1 9 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.133 0.597 25488 5158 1 9 . 1 1 171 171 HIS H H 171 8.513 8.513 7.639 0.874 25488 5159 1 9 . 1 1 172 172 PHE N N 172 120.919 120.919 122.431 -1.512 25488 5160 1 9 . 1 1 172 172 PHE H H 172 8.457 8.457 8.759 -0.302 25488 5161 1 9 . 1 1 173 173 ASP N N 173 123.993 123.993 120.388 3.605 25488 5162 1 9 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.308 -1.412 25488 5163 1 9 . 1 1 173 173 ASP H H 173 7.915 7.915 8.900 -0.985 25488 5164 1 9 . 1 1 174 174 GLU N N 174 132.684 132.684 127.533 5.151 25488 5165 1 9 . 1 1 174 174 GLU H H 174 9.461 9.461 9.006 0.455 25488 5166 1 9 . 1 1 175 175 ASP N N 175 117.313 117.313 119.330 -2.017 25488 5167 1 9 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.665 0.132 25488 5168 1 9 . 1 1 175 175 ASP H H 175 8.756 8.756 8.048 0.708 25488 5169 1 9 . 1 1 176 176 GLU N N 176 116.511 116.511 119.171 -2.660 25488 5170 1 9 . 1 1 176 176 GLU H H 176 7.154 7.154 7.330 -0.176 25488 5171 1 9 . 1 1 177 177 ARG N N 177 121.920 121.920 123.534 -1.614 25488 5172 1 9 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.283 0.342 25488 5173 1 9 . 1 1 177 177 ARG H H 177 7.555 7.555 8.223 -0.668 25488 5174 1 9 . 1 1 178 178 TRP N N 178 129.182 129.182 124.971 4.211 25488 5175 1 9 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.504 -0.391 25488 5176 1 9 . 1 1 178 178 TRP H H 178 8.788 8.788 8.581 0.207 25488 5177 1 9 . 1 1 179 179 THR N N 179 112.874 112.874 113.513 -0.639 25488 5178 1 9 . 1 1 179 179 THR HA H 179 5.015 5.015 4.750 0.265 25488 5179 1 9 . 1 1 179 179 THR H H 179 8.946 8.946 9.077 -0.131 25488 5180 1 9 . 1 1 180 180 ASP N N 180 121.969 121.969 122.687 -0.718 25488 5181 1 9 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.865 -0.443 25488 5182 1 9 . 1 1 180 180 ASP H H 180 8.478 8.478 8.761 -0.283 25488 5183 1 9 . 1 1 181 181 GLY N N 181 110.059 110.059 107.888 2.171 25488 5184 1 9 . 1 1 181 181 GLY H H 181 8.572 8.572 8.294 0.278 25488 5185 1 9 . 1 1 182 182 SER N N 182 115.564 115.564 116.270 -0.706 25488 5186 1 9 . 1 1 182 182 SER HA H 182 4.599 4.599 4.564 0.035 25488 5187 1 9 . 1 1 182 182 SER H H 182 8.173 8.173 7.916 0.257 25488 5188 1 9 . 1 1 183 183 SER N N 183 117.066 117.066 114.974 2.092 25488 5189 1 9 . 1 1 183 183 SER H H 183 7.819 7.819 8.234 -0.415 25488 5190 1 9 . 1 1 184 184 LEU N N 184 121.954 121.954 121.245 0.709 25488 5191 1 9 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.363 -0.001 25488 5192 1 9 . 1 1 184 184 LEU H H 184 8.104 8.104 7.489 0.615 25488 5193 1 9 . 1 1 185 185 GLY N N 185 108.989 108.989 106.163 2.826 25488 5194 1 9 . 1 1 185 185 GLY H H 185 7.954 7.954 7.442 0.512 25488 5195 1 9 . 1 1 186 186 ILE N N 186 123.084 123.084 121.406 1.678 25488 5196 1 9 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.250 -0.471 25488 5197 1 9 . 1 1 186 186 ILE H H 186 8.878 8.878 8.155 0.723 25488 5198 1 9 . 1 1 187 187 ASN N N 187 126.999 126.999 125.759 1.240 25488 5199 1 9 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.643 -0.247 25488 5200 1 9 . 1 1 187 187 ASN H H 187 8.575 8.575 8.817 -0.242 25488 5201 1 9 . 1 1 188 188 PHE N N 188 129.819 129.819 129.183 0.636 25488 5202 1 9 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.291 0.300 25488 5203 1 9 . 1 1 188 188 PHE H H 188 9.365 9.365 8.149 1.216 25488 5204 1 9 . 1 1 189 189 LEU N N 189 119.292 119.292 120.930 -1.638 25488 5205 1 9 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.517 0.316 25488 5206 1 9 . 1 1 189 189 LEU H H 189 8.551 8.551 8.045 0.506 25488 5207 1 9 . 1 1 191 191 ALA N N 191 120.347 120.347 121.291 -0.944 25488 5208 1 9 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.963 0.334 25488 5209 1 9 . 1 1 191 191 ALA H H 191 7.973 7.973 7.729 0.244 25488 5210 1 9 . 1 1 192 192 ALA N N 192 121.365 121.365 120.792 0.573 25488 5211 1 9 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.266 -0.249 25488 5212 1 9 . 1 1 192 192 ALA H H 192 9.258 9.258 8.597 0.661 25488 5213 1 9 . 1 1 193 193 THR N N 193 117.027 117.027 115.270 1.757 25488 5214 1 9 . 1 1 193 193 THR HA H 193 3.825 3.825 3.928 -0.103 25488 5215 1 9 . 1 1 193 193 THR H H 193 8.209 8.209 8.112 0.097 25488 5216 1 9 . 1 1 194 194 HIS N N 194 120.231 120.231 120.743 -0.512 25488 5217 1 9 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.301 -0.068 25488 5218 1 9 . 1 1 194 194 HIS H H 194 7.805 7.805 7.707 0.098 25488 5219 1 9 . 1 1 195 195 ALA N N 195 121.346 121.346 121.128 0.218 25488 5220 1 9 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.658 0.522 25488 5221 1 9 . 1 1 195 195 ALA H H 195 8.693 8.693 7.416 1.277 25488 5222 1 9 . 1 1 196 196 LEU N N 196 114.951 114.951 115.948 -0.997 25488 5223 1 9 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.272 -0.114 25488 5224 1 9 . 1 1 196 196 LEU H H 196 8.714 8.714 8.067 0.647 25488 5225 1 9 . 1 1 197 197 GLY N N 197 107.954 107.954 106.308 1.646 25488 5226 1 9 . 1 1 197 197 GLY H H 197 7.540 7.540 7.253 0.287 25488 5227 1 9 . 1 1 198 198 HIS N N 198 121.996 121.996 120.907 1.089 25488 5228 1 9 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.432 0.377 25488 5229 1 9 . 1 1 198 198 HIS H H 198 7.205 7.205 7.375 -0.170 25488 5230 1 9 . 1 1 199 199 SER N N 199 118.570 118.570 115.515 3.055 25488 5231 1 9 . 1 1 199 199 SER HA H 199 4.448 4.448 4.535 -0.087 25488 5232 1 9 . 1 1 199 199 SER H H 199 7.886 7.886 7.821 0.065 25488 5233 1 9 . 1 1 200 200 LEU N N 200 114.779 114.779 115.558 -0.779 25488 5234 1 9 . 1 1 200 200 LEU H H 200 7.106 7.106 7.287 -0.181 25488 5235 1 9 . 1 1 201 201 GLY N N 201 108.350 108.350 106.521 1.829 25488 5236 1 9 . 1 1 201 201 GLY H H 201 8.213 8.213 7.465 0.748 25488 5237 1 9 . 1 1 202 202 MET N N 202 119.623 119.623 121.076 -1.453 25488 5238 1 9 . 1 1 202 202 MET HA H 202 4.484 4.484 4.430 0.054 25488 5239 1 9 . 1 1 202 202 MET H H 202 8.189 8.189 7.695 0.494 25488 5240 1 9 . 1 1 203 203 GLY N N 203 109.770 109.770 109.995 -0.225 25488 5241 1 9 . 1 1 203 203 GLY H H 203 8.413 8.413 8.409 0.004 25488 5242 1 9 . 1 1 204 204 HIS N N 204 115.793 115.793 117.793 -2.000 25488 5243 1 9 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.750 0.624 25488 5244 1 9 . 1 1 204 204 HIS H H 204 8.383 8.383 8.631 -0.248 25488 5245 1 9 . 1 1 205 205 SER N N 205 115.497 115.497 114.463 1.034 25488 5246 1 9 . 1 1 205 205 SER HA H 205 4.721 4.721 4.775 -0.054 25488 5247 1 9 . 1 1 205 205 SER H H 205 7.223 7.223 8.595 -1.372 25488 5248 1 9 . 1 1 206 206 SER N N 206 119.268 119.268 118.124 1.144 25488 5249 1 9 . 1 1 206 206 SER HA H 206 3.721 3.721 4.319 -0.598 25488 5250 1 9 . 1 1 206 206 SER H H 206 8.290 8.290 8.513 -0.223 25488 5251 1 9 . 1 1 207 207 ASP N N 207 126.656 126.656 125.114 1.542 25488 5252 1 9 . 1 1 207 207 ASP H H 207 8.541 8.541 7.216 1.325 25488 5253 1 9 . 1 1 209 209 ASN N N 209 115.911 115.911 114.339 1.572 25488 5254 1 9 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.693 -0.077 25488 5255 1 9 . 1 1 209 209 ASN H H 209 8.374 8.374 7.667 0.707 25488 5256 1 9 . 1 1 210 210 ALA N N 210 124.929 124.929 122.557 2.372 25488 5257 1 9 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.856 -0.702 25488 5258 1 9 . 1 1 210 210 ALA H H 210 8.182 8.182 7.822 0.360 25488 5259 1 9 . 1 1 211 211 VAL N N 211 130.383 130.383 121.598 8.785 25488 5260 1 9 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.463 0.787 25488 5261 1 9 . 1 1 211 211 VAL H H 211 11.554 11.554 8.126 3.428 25488 5262 1 9 . 1 1 212 212 MET N N 212 113.319 113.319 111.374 1.945 25488 5263 1 9 . 1 1 212 212 MET H H 212 7.741 7.741 7.165 0.576 25488 5264 1 9 . 1 1 213 213 TYR N N 213 130.006 130.006 127.277 2.729 25488 5265 1 9 . 1 1 213 213 TYR H H 213 7.899 7.899 7.699 0.200 25488 5266 1 9 . 1 1 215 215 THR N N 215 104.747 104.747 111.745 -6.998 25488 5267 1 9 . 1 1 215 215 THR HA H 215 4.404 4.404 4.308 0.096 25488 5268 1 9 . 1 1 215 215 THR H H 215 6.402 6.402 7.301 -0.899 25488 5269 1 9 . 1 1 216 216 TYR N N 216 124.699 124.699 123.806 0.893 25488 5270 1 9 . 1 1 216 216 TYR H H 216 8.341 8.341 7.938 0.403 25488 5271 1 9 . 1 1 217 217 GLY N N 217 116.288 116.288 107.194 9.094 25488 5272 1 9 . 1 1 217 217 GLY H H 217 7.685 7.685 8.287 -0.602 25488 5273 1 9 . 1 1 218 218 ASN N N 218 119.920 119.920 118.007 1.913 25488 5274 1 9 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.785 -0.165 25488 5275 1 9 . 1 1 218 218 ASN H H 218 8.221 8.221 8.482 -0.261 25488 5276 1 9 . 1 1 219 219 GLY N N 219 109.601 109.601 107.599 2.002 25488 5277 1 9 . 1 1 219 219 GLY H H 219 8.072 8.072 7.841 0.231 25488 5278 1 9 . 1 1 220 220 ASP N N 220 123.006 123.006 117.886 5.120 25488 5279 1 9 . 1 1 220 220 ASP H H 220 8.280 8.280 7.851 0.429 25488 5280 1 9 . 1 1 222 222 GLN N N 222 116.642 116.642 119.150 -2.508 25488 5281 1 9 . 1 1 222 222 GLN H H 222 8.215 8.215 8.579 -0.364 25488 5282 1 9 . 1 1 223 223 ASN N N 223 118.361 118.361 117.199 1.162 25488 5283 1 9 . 1 1 223 223 ASN H H 223 7.970 7.970 7.994 -0.024 25488 5284 1 9 . 1 1 225 225 LYS N N 225 122.215 122.215 121.992 0.223 25488 5285 1 9 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.729 -0.313 25488 5286 1 9 . 1 1 225 225 LYS H H 225 7.656 7.656 9.110 -1.454 25488 5287 1 9 . 1 1 226 226 LEU N N 226 119.165 119.165 120.819 -1.654 25488 5288 1 9 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.724 -0.636 25488 5289 1 9 . 1 1 226 226 LEU H H 226 7.984 7.984 8.450 -0.466 25488 5290 1 9 . 1 1 227 227 SER N N 227 120.520 120.520 116.776 3.744 25488 5291 1 9 . 1 1 227 227 SER HA H 227 4.676 4.676 4.683 -0.007 25488 5292 1 9 . 1 1 227 227 SER H H 227 9.646 9.646 8.605 1.041 25488 5293 1 9 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.073 0.601 25488 5294 1 9 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.407 -0.033 25488 5295 1 9 . 1 1 229 229 ASP H H 229 8.113 8.113 8.115 -0.002 25488 5296 1 9 . 1 1 230 230 ASP N N 230 119.878 119.878 119.124 0.754 25488 5297 1 9 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.552 -0.214 25488 5298 1 9 . 1 1 230 230 ASP H H 230 7.397 7.397 7.753 -0.356 25488 5299 1 9 . 1 1 231 231 ILE N N 231 120.389 120.389 120.810 -0.421 25488 5300 1 9 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.710 -0.055 25488 5301 1 9 . 1 1 231 231 ILE H H 231 8.100 8.100 7.674 0.426 25488 5302 1 9 . 1 1 232 232 LYS N N 232 119.084 119.084 120.247 -1.163 25488 5303 1 9 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.078 0.017 25488 5304 1 9 . 1 1 232 232 LYS H H 232 8.581 8.581 8.236 0.345 25488 5305 1 9 . 1 1 233 233 GLY N N 233 106.424 106.424 106.760 -0.336 25488 5306 1 9 . 1 1 233 233 GLY H H 233 8.061 8.061 7.672 0.389 25488 5307 1 9 . 1 1 234 234 ILE N N 234 125.166 125.166 122.497 2.669 25488 5308 1 9 . 1 1 234 234 ILE H H 234 8.517 8.517 7.503 1.014 25488 5309 1 9 . 1 1 235 235 GLN N N 235 122.969 122.969 120.747 2.222 25488 5310 1 9 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.142 0.239 25488 5311 1 9 . 1 1 235 235 GLN H H 235 8.291 8.291 8.690 -0.399 25488 5312 1 9 . 1 1 236 236 LYS N N 236 123.770 123.770 116.446 7.324 25488 5313 1 9 . 1 1 236 236 LYS H H 236 8.035 8.035 7.603 0.432 25488 5314 1 9 . 1 1 237 237 LEU N N 237 116.854 116.854 118.464 -1.610 25488 5315 1 9 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.056 -0.097 25488 5316 1 9 . 1 1 237 237 LEU H H 237 6.886 6.886 7.321 -0.435 25488 5317 1 9 . 1 1 238 238 TYR N N 238 112.132 112.132 116.751 -4.619 25488 5318 1 9 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.506 0.120 25488 5319 1 9 . 1 1 238 238 TYR H H 238 7.459 7.459 7.528 -0.069 25488 5320 1 9 . 1 1 239 239 GLY N N 239 110.898 110.898 106.526 4.372 25488 5321 1 9 . 1 1 239 239 GLY H H 239 8.442 8.442 8.066 0.376 25488 5322 1 9 . 1 1 240 240 LYS N N 240 114.400 114.400 121.247 -6.847 25488 5323 1 9 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.561 0.243 25488 5324 1 9 . 1 1 240 240 LYS H H 240 7.865 7.865 8.224 -0.359 25488 5325 1 9 . 1 1 241 241 ARG N N 241 123.851 123.851 123.719 0.132 25488 5326 1 9 . 1 1 241 241 ARG H H 241 7.760 7.760 8.598 -0.838 25488 5327 1 9 . 1 1 242 242 SER N N 242 135.647 135.647 119.512 16.135 25488 5328 1 9 . 1 1 242 242 SER H H 242 9.158 9.158 8.448 0.710 25488 5329 1 10 . 1 1 3 3 GLU N N 3 121.690 121.690 121.450 0.240 25488 5330 1 10 . 1 1 3 3 GLU H H 3 8.332 8.332 8.304 0.028 25488 5331 1 10 . 1 1 4 4 ALA N N 4 124.526 124.526 121.561 2.965 25488 5332 1 10 . 1 1 4 4 ALA H H 4 8.111 8.111 8.317 -0.206 25488 5333 1 10 . 1 1 5 5 GLY N N 5 108.229 108.229 107.087 1.142 25488 5334 1 10 . 1 1 5 5 GLY H H 5 8.286 8.286 8.439 -0.153 25488 5335 1 10 . 1 1 6 6 GLY N N 6 108.867 108.867 108.333 0.534 25488 5336 1 10 . 1 1 6 6 GLY H H 6 8.239 8.239 7.623 0.616 25488 5337 1 10 . 1 1 7 7 MET N N 7 119.984 119.984 120.533 -0.549 25488 5338 1 10 . 1 1 7 7 MET H H 7 8.044 8.044 7.433 0.611 25488 5339 1 10 . 1 1 8 8 SER N N 8 118.771 118.771 116.696 2.075 25488 5340 1 10 . 1 1 8 8 SER HA H 8 4.239 4.239 4.390 -0.151 25488 5341 1 10 . 1 1 8 8 SER H H 8 8.738 8.738 8.308 0.430 25488 5342 1 10 . 1 1 9 9 GLU N N 9 122.551 122.551 121.535 1.016 25488 5343 1 10 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.314 -0.062 25488 5344 1 10 . 1 1 9 9 GLU H H 9 8.919 8.919 9.053 -0.134 25488 5345 1 10 . 1 1 10 10 LEU N N 10 120.638 120.638 118.913 1.725 25488 5346 1 10 . 1 1 10 10 LEU H H 10 8.017 8.017 8.052 -0.035 25488 5347 1 10 . 1 1 11 11 GLN N N 11 119.889 119.889 119.812 0.077 25488 5348 1 10 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.049 0.085 25488 5349 1 10 . 1 1 11 11 GLN H H 11 7.807 7.807 7.925 -0.118 25488 5350 1 10 . 1 1 12 12 TRP N N 12 120.951 120.951 120.338 0.613 25488 5351 1 10 . 1 1 12 12 TRP H H 12 8.202 8.202 8.260 -0.058 25488 5352 1 10 . 1 1 13 13 GLU N N 13 121.870 121.870 118.228 3.642 25488 5353 1 10 . 1 1 13 13 GLU H H 13 8.436 8.436 7.828 0.608 25488 5354 1 10 . 1 1 14 14 GLN N N 14 120.646 120.646 118.602 2.044 25488 5355 1 10 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.231 -0.062 25488 5356 1 10 . 1 1 14 14 GLN H H 14 8.159 8.159 7.847 0.312 25488 5357 1 10 . 1 1 15 15 ALA N N 15 123.216 123.216 122.884 0.332 25488 5358 1 10 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.246 0.092 25488 5359 1 10 . 1 1 15 15 ALA H H 15 8.355 8.355 7.859 0.496 25488 5360 1 10 . 1 1 16 16 GLN N N 16 117.766 117.766 117.215 0.551 25488 5361 1 10 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.102 -0.397 25488 5362 1 10 . 1 1 16 16 GLN H H 16 8.440 8.440 8.270 0.170 25488 5363 1 10 . 1 1 17 17 ASP N N 17 120.090 120.090 118.753 1.337 25488 5364 1 10 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.452 0.011 25488 5365 1 10 . 1 1 17 17 ASP H H 17 7.899 7.899 7.798 0.101 25488 5366 1 10 . 1 1 18 18 TYR N N 18 122.296 122.296 119.555 2.741 25488 5367 1 10 . 1 1 18 18 TYR H H 18 8.264 8.264 7.361 0.903 25488 5368 1 10 . 1 1 19 19 LEU N N 19 117.675 117.675 118.322 -0.647 25488 5369 1 10 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.160 0.965 25488 5370 1 10 . 1 1 19 19 LEU H H 19 8.687 8.687 8.315 0.372 25488 5371 1 10 . 1 1 20 20 LYS N N 20 124.620 124.620 114.744 9.876 25488 5372 1 10 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.349 -0.206 25488 5373 1 10 . 1 1 20 20 LYS H H 20 8.790 8.790 7.301 1.489 25488 5374 1 10 . 1 1 21 21 ARG N N 21 117.608 117.608 119.178 -1.570 25488 5375 1 10 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.972 -0.275 25488 5376 1 10 . 1 1 21 21 ARG H H 21 7.835 7.835 7.161 0.674 25488 5377 1 10 . 1 1 22 22 PHE N N 22 112.136 112.136 116.916 -4.780 25488 5378 1 10 . 1 1 22 22 PHE H H 22 8.003 8.003 7.192 0.811 25488 5379 1 10 . 1 1 23 23 TYR N N 23 116.244 116.244 116.415 -0.171 25488 5380 1 10 . 1 1 23 23 TYR H H 23 7.678 7.678 7.734 -0.056 25488 5381 1 10 . 1 1 24 24 LEU N N 24 115.582 115.582 119.688 -4.106 25488 5382 1 10 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.990 0.145 25488 5383 1 10 . 1 1 24 24 LEU H H 24 7.238 7.238 7.778 -0.540 25488 5384 1 10 . 1 1 25 25 TYR N N 25 119.996 119.996 118.764 1.232 25488 5385 1 10 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.670 -0.265 25488 5386 1 10 . 1 1 25 25 TYR H H 25 7.826 7.826 7.851 -0.025 25488 5387 1 10 . 1 1 26 26 ASP N N 26 129.292 129.292 124.571 4.721 25488 5388 1 10 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.646 -0.185 25488 5389 1 10 . 1 1 26 26 ASP H H 26 8.121 8.121 8.014 0.107 25488 5390 1 10 . 1 1 28 28 GLU N N 28 122.115 122.115 120.633 1.482 25488 5391 1 10 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.414 -0.133 25488 5392 1 10 . 1 1 28 28 GLU H H 28 8.262 8.262 7.825 0.437 25488 5393 1 10 . 1 1 29 29 THR N N 29 114.171 114.171 115.924 -1.753 25488 5394 1 10 . 1 1 29 29 THR HA H 29 4.222 4.222 4.093 0.129 25488 5395 1 10 . 1 1 29 29 THR H H 29 7.496 7.496 8.083 -0.587 25488 5396 1 10 . 1 1 30 30 LYS N N 30 123.019 123.019 122.415 0.604 25488 5397 1 10 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.251 -0.033 25488 5398 1 10 . 1 1 30 30 LYS H H 30 8.154 8.154 7.423 0.731 25488 5399 1 10 . 1 1 32 32 ALA N N 32 126.481 126.481 127.362 -0.881 25488 5400 1 10 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.933 0.317 25488 5401 1 10 . 1 1 32 32 ALA H H 32 8.424 8.424 8.675 -0.251 25488 5402 1 10 . 1 1 33 33 ASN N N 33 116.834 116.834 116.347 0.487 25488 5403 1 10 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.587 0.111 25488 5404 1 10 . 1 1 33 33 ASN H H 33 8.312 8.312 8.389 -0.077 25488 5405 1 10 . 1 1 34 34 SER N N 34 116.960 116.960 115.836 1.124 25488 5406 1 10 . 1 1 34 34 SER HA H 34 4.522 4.522 4.330 0.192 25488 5407 1 10 . 1 1 34 34 SER H H 34 8.112 8.112 8.277 -0.165 25488 5408 1 10 . 1 1 35 35 LEU N N 35 125.335 125.335 124.141 1.194 25488 5409 1 10 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.301 -0.750 25488 5410 1 10 . 1 1 35 35 LEU H H 35 8.324 8.324 8.419 -0.095 25488 5411 1 10 . 1 1 36 36 GLU N N 36 119.302 119.302 119.711 -0.409 25488 5412 1 10 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.875 0.068 25488 5413 1 10 . 1 1 36 36 GLU H H 36 8.239 8.239 8.678 -0.439 25488 5414 1 10 . 1 1 37 37 ALA N N 37 120.683 120.683 120.976 -0.293 25488 5415 1 10 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.240 -0.193 25488 5416 1 10 . 1 1 37 37 ALA H H 37 7.898 7.898 7.541 0.357 25488 5417 1 10 . 1 1 38 38 LYS N N 38 119.470 119.470 120.317 -0.847 25488 5418 1 10 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.075 0.258 25488 5419 1 10 . 1 1 38 38 LYS H H 38 8.217 8.217 8.019 0.198 25488 5420 1 10 . 1 1 39 39 LEU N N 39 122.664 122.664 119.917 2.747 25488 5421 1 10 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.986 -0.072 25488 5422 1 10 . 1 1 39 39 LEU H H 39 8.658 8.658 8.420 0.238 25488 5423 1 10 . 1 1 40 40 LYS N N 40 118.301 118.301 118.544 -0.243 25488 5424 1 10 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.062 0.611 25488 5425 1 10 . 1 1 40 40 LYS H H 40 8.221 8.221 7.558 0.663 25488 5426 1 10 . 1 1 41 41 GLU N N 41 121.462 121.462 120.082 1.380 25488 5427 1 10 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.257 -0.189 25488 5428 1 10 . 1 1 41 41 GLU H H 41 7.736 7.736 8.479 -0.743 25488 5429 1 10 . 1 1 42 42 MET N N 42 123.761 123.761 120.492 3.269 25488 5430 1 10 . 1 1 42 42 MET HA H 42 4.046 4.046 4.415 -0.369 25488 5431 1 10 . 1 1 42 42 MET H H 42 7.672 7.672 8.486 -0.814 25488 5432 1 10 . 1 1 43 43 GLN N N 43 120.035 120.035 118.225 1.810 25488 5433 1 10 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.016 -0.220 25488 5434 1 10 . 1 1 43 43 GLN H H 43 8.904 8.904 8.544 0.360 25488 5435 1 10 . 1 1 44 44 LYS N N 44 119.131 119.131 119.874 -0.743 25488 5436 1 10 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.277 -0.225 25488 5437 1 10 . 1 1 44 44 LYS H H 44 8.511 8.511 7.773 0.738 25488 5438 1 10 . 1 1 45 45 PHE N N 45 123.544 123.544 121.310 2.234 25488 5439 1 10 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.316 -0.466 25488 5440 1 10 . 1 1 45 45 PHE H H 45 8.438 8.438 8.242 0.196 25488 5441 1 10 . 1 1 46 46 PHE N N 46 112.789 112.789 115.539 -2.750 25488 5442 1 10 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.233 0.349 25488 5443 1 10 . 1 1 46 46 PHE H H 46 8.273 8.273 8.442 -0.169 25488 5444 1 10 . 1 1 47 47 GLY N N 47 110.408 110.408 106.895 3.513 25488 5445 1 10 . 1 1 47 47 GLY H H 47 7.922 7.922 7.638 0.284 25488 5446 1 10 . 1 1 48 48 LEU N N 48 121.853 121.853 122.768 -0.915 25488 5447 1 10 . 1 1 48 48 LEU H H 48 8.747 8.747 8.239 0.508 25488 5448 1 10 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.600 -0.399 25488 5449 1 10 . 1 1 50 50 ILE N N 50 127.000 127.000 119.336 7.664 25488 5450 1 10 . 1 1 50 50 ILE H H 50 8.529 8.529 7.587 0.942 25488 5451 1 10 . 1 1 51 51 THR N N 51 116.519 116.519 116.195 0.324 25488 5452 1 10 . 1 1 51 51 THR H H 51 7.980 7.980 8.270 -0.290 25488 5453 1 10 . 1 1 52 52 GLY N N 52 112.725 112.725 115.718 -2.993 25488 5454 1 10 . 1 1 52 52 GLY H H 52 9.483 9.483 9.439 0.044 25488 5455 1 10 . 1 1 53 53 MET N N 53 116.735 116.735 120.225 -3.490 25488 5456 1 10 . 1 1 53 53 MET HA H 53 4.044 4.044 4.591 -0.547 25488 5457 1 10 . 1 1 53 53 MET H H 53 7.969 7.969 8.193 -0.224 25488 5458 1 10 . 1 1 54 54 LEU N N 54 122.602 122.602 127.805 -5.203 25488 5459 1 10 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.599 -0.893 25488 5460 1 10 . 1 1 54 54 LEU H H 54 7.926 7.926 8.365 -0.439 25488 5461 1 10 . 1 1 55 55 ASN N N 55 115.755 115.755 120.524 -4.769 25488 5462 1 10 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.047 -0.307 25488 5463 1 10 . 1 1 55 55 ASN H H 55 6.555 6.555 8.137 -1.582 25488 5464 1 10 . 1 1 56 56 SER N N 56 121.450 121.450 122.022 -0.572 25488 5465 1 10 . 1 1 56 56 SER HA H 56 4.662 4.662 3.732 0.930 25488 5466 1 10 . 1 1 56 56 SER H H 56 8.205 8.205 9.129 -0.924 25488 5467 1 10 . 1 1 57 57 ARG N N 57 123.219 123.219 122.832 0.387 25488 5468 1 10 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.032 0.174 25488 5469 1 10 . 1 1 57 57 ARG H H 57 7.883 7.883 8.192 -0.309 25488 5470 1 10 . 1 1 58 58 VAL N N 58 118.843 118.843 118.247 0.596 25488 5471 1 10 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.666 -0.366 25488 5472 1 10 . 1 1 58 58 VAL H H 58 7.594 7.594 8.212 -0.618 25488 5473 1 10 . 1 1 59 59 ILE N N 59 119.212 119.212 118.740 0.472 25488 5474 1 10 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.584 -0.115 25488 5475 1 10 . 1 1 59 59 ILE H H 59 7.326 7.326 6.861 0.465 25488 5476 1 10 . 1 1 60 60 GLU N N 60 119.544 119.544 120.515 -0.971 25488 5477 1 10 . 1 1 60 60 GLU H H 60 7.880 7.880 7.528 0.352 25488 5478 1 10 . 1 1 61 61 ILE N N 61 118.812 118.812 114.270 4.542 25488 5479 1 10 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.564 -0.122 25488 5480 1 10 . 1 1 61 61 ILE H H 61 7.217 7.217 7.610 -0.393 25488 5481 1 10 . 1 1 62 62 MET N N 62 120.202 120.202 117.240 2.962 25488 5482 1 10 . 1 1 62 62 MET HA H 62 3.419 3.419 4.193 -0.774 25488 5483 1 10 . 1 1 62 62 MET H H 62 7.820 7.820 7.244 0.576 25488 5484 1 10 . 1 1 63 63 GLN N N 63 116.274 116.274 114.111 2.163 25488 5485 1 10 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.616 -0.375 25488 5486 1 10 . 1 1 63 63 GLN H H 63 7.442 7.442 7.420 0.022 25488 5487 1 10 . 1 1 64 64 LYS N N 64 121.450 121.450 122.859 -1.409 25488 5488 1 10 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.298 0.201 25488 5489 1 10 . 1 1 64 64 LYS H H 64 7.474 7.474 7.225 0.249 25488 5490 1 10 . 1 1 66 66 ARG N N 66 113.173 113.173 119.935 -6.762 25488 5491 1 10 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.340 0.099 25488 5492 1 10 . 1 1 66 66 ARG H H 66 8.151 8.151 7.771 0.380 25488 5493 1 10 . 1 1 67 67 CYS N N 67 121.794 121.794 118.329 3.465 25488 5494 1 10 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.692 -0.272 25488 5495 1 10 . 1 1 67 67 CYS H H 67 7.709 7.709 8.235 -0.526 25488 5496 1 10 . 1 1 68 68 GLY N N 68 116.255 116.255 112.912 3.343 25488 5497 1 10 . 1 1 68 68 GLY H H 68 9.707 9.707 8.509 1.198 25488 5498 1 10 . 1 1 69 69 VAL N N 69 126.541 126.541 114.011 12.530 25488 5499 1 10 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.473 -0.666 25488 5500 1 10 . 1 1 69 69 VAL H H 69 9.118 9.118 6.901 2.217 25488 5501 1 10 . 1 1 71 71 ASP N N 71 119.114 119.114 126.025 -6.911 25488 5502 1 10 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.691 -0.208 25488 5503 1 10 . 1 1 71 71 ASP H H 71 8.067 8.067 8.229 -0.162 25488 5504 1 10 . 1 1 72 72 VAL N N 72 112.988 112.988 118.113 -5.125 25488 5505 1 10 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.250 0.031 25488 5506 1 10 . 1 1 72 72 VAL H H 72 6.438 6.438 7.146 -0.708 25488 5507 1 10 . 1 1 73 73 ALA N N 73 125.902 125.902 125.034 0.868 25488 5508 1 10 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.431 -0.164 25488 5509 1 10 . 1 1 73 73 ALA H H 73 8.171 8.171 8.428 -0.257 25488 5510 1 10 . 1 1 74 74 GLU N N 74 120.835 120.835 124.404 -3.569 25488 5511 1 10 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.516 -0.433 25488 5512 1 10 . 1 1 74 74 GLU H H 74 8.385 8.385 7.730 0.655 25488 5513 1 10 . 1 1 75 75 TYR N N 75 121.820 121.820 119.246 2.574 25488 5514 1 10 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.060 0.334 25488 5515 1 10 . 1 1 75 75 TYR H H 75 8.102 8.102 8.753 -0.651 25488 5516 1 10 . 1 1 76 76 SER N N 76 117.881 117.881 117.316 0.565 25488 5517 1 10 . 1 1 76 76 SER H H 76 7.718 7.718 8.709 -0.991 25488 5518 1 10 . 1 1 77 77 LEU N N 77 123.835 123.835 121.708 2.127 25488 5519 1 10 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.471 -0.379 25488 5520 1 10 . 1 1 77 77 LEU H H 77 8.033 8.033 7.916 0.117 25488 5521 1 10 . 1 1 78 78 PHE N N 78 118.893 118.893 121.693 -2.800 25488 5522 1 10 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.962 -0.117 25488 5523 1 10 . 1 1 78 78 PHE H H 78 7.822 7.822 8.259 -0.437 25488 5524 1 10 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.388 -0.057 25488 5525 1 10 . 1 1 80 80 ASN N N 80 118.184 118.184 122.951 -4.767 25488 5526 1 10 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.739 -0.059 25488 5527 1 10 . 1 1 80 80 ASN H H 80 8.106 8.106 7.838 0.268 25488 5528 1 10 . 1 1 81 81 SER HA H 81 4.636 4.636 4.446 0.190 25488 5529 1 10 . 1 1 83 83 LYS N N 83 114.696 114.696 119.157 -4.461 25488 5530 1 10 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.545 -0.322 25488 5531 1 10 . 1 1 83 83 LYS H H 83 7.361 7.361 7.971 -0.610 25488 5532 1 10 . 1 1 84 84 TRP N N 84 122.459 122.459 122.653 -0.194 25488 5533 1 10 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.662 -0.659 25488 5534 1 10 . 1 1 84 84 TRP H H 84 8.020 8.020 8.564 -0.544 25488 5535 1 10 . 1 1 85 85 THR N N 85 113.482 113.482 116.656 -3.174 25488 5536 1 10 . 1 1 85 85 THR HA H 85 4.586 4.586 4.161 0.425 25488 5537 1 10 . 1 1 85 85 THR H H 85 8.833 8.833 8.900 -0.067 25488 5538 1 10 . 1 1 86 86 SER N N 86 117.316 117.316 113.531 3.785 25488 5539 1 10 . 1 1 86 86 SER HA H 86 4.665 4.665 4.647 0.018 25488 5540 1 10 . 1 1 86 86 SER H H 86 7.724 7.724 7.622 0.102 25488 5541 1 10 . 1 1 87 87 LYS N N 87 120.411 120.411 121.260 -0.849 25488 5542 1 10 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.243 -0.104 25488 5543 1 10 . 1 1 87 87 LYS H H 87 8.312 8.312 8.587 -0.275 25488 5544 1 10 . 1 1 88 88 VAL N N 88 117.674 117.674 120.347 -2.673 25488 5545 1 10 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.177 0.474 25488 5546 1 10 . 1 1 88 88 VAL H H 88 7.425 7.425 7.145 0.280 25488 5547 1 10 . 1 1 89 89 VAL N N 89 131.493 131.493 128.207 3.286 25488 5548 1 10 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.472 -0.331 25488 5549 1 10 . 1 1 89 89 VAL H H 89 8.574 8.574 9.070 -0.496 25488 5550 1 10 . 1 1 90 90 THR N N 90 118.245 118.245 116.818 1.427 25488 5551 1 10 . 1 1 90 90 THR HA H 90 5.627 5.627 5.603 0.024 25488 5552 1 10 . 1 1 90 90 THR H H 90 9.021 9.021 9.122 -0.101 25488 5553 1 10 . 1 1 91 91 TYR N N 91 118.267 118.267 120.455 -2.188 25488 5554 1 10 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.835 -0.161 25488 5555 1 10 . 1 1 91 91 TYR H H 91 8.555 8.555 8.625 -0.070 25488 5556 1 10 . 1 1 92 92 ARG N N 92 120.260 120.260 121.329 -1.069 25488 5557 1 10 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.022 -0.376 25488 5558 1 10 . 1 1 92 92 ARG H H 92 8.513 8.513 8.321 0.192 25488 5559 1 10 . 1 1 93 93 ILE N N 93 128.361 128.361 125.651 2.710 25488 5560 1 10 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.406 0.213 25488 5561 1 10 . 1 1 93 93 ILE H H 93 8.878 8.878 8.864 0.014 25488 5562 1 10 . 1 1 94 94 VAL N N 94 126.374 126.374 127.730 -1.356 25488 5563 1 10 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.119 -0.119 25488 5564 1 10 . 1 1 94 94 VAL H H 94 9.492 9.492 9.047 0.445 25488 5565 1 10 . 1 1 95 95 SER N N 95 113.303 113.303 114.831 -1.528 25488 5566 1 10 . 1 1 95 95 SER HA H 95 4.705 4.705 4.797 -0.092 25488 5567 1 10 . 1 1 95 95 SER H H 95 7.431 7.431 7.711 -0.280 25488 5568 1 10 . 1 1 96 96 TYR N N 96 117.054 117.054 117.650 -0.596 25488 5569 1 10 . 1 1 96 96 TYR H H 96 8.255 8.255 8.024 0.231 25488 5570 1 10 . 1 1 98 98 ARG N N 98 128.445 128.445 124.087 4.358 25488 5571 1 10 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.028 0.310 25488 5572 1 10 . 1 1 98 98 ARG H H 98 8.964 8.964 8.673 0.291 25488 5573 1 10 . 1 1 99 99 ASP N N 99 120.412 120.412 119.770 0.642 25488 5574 1 10 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.528 -0.193 25488 5575 1 10 . 1 1 99 99 ASP H H 99 8.695 8.695 8.351 0.344 25488 5576 1 10 . 1 1 100 100 LEU N N 100 116.851 116.851 119.459 -2.608 25488 5577 1 10 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.771 0.162 25488 5578 1 10 . 1 1 100 100 LEU H H 100 6.902 6.902 7.690 -0.788 25488 5579 1 10 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.379 0.788 25488 5580 1 10 . 1 1 103 103 ILE N N 103 115.469 115.469 114.525 0.944 25488 5581 1 10 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.519 0.654 25488 5582 1 10 . 1 1 103 103 ILE H H 103 8.296 8.296 7.995 0.301 25488 5583 1 10 . 1 1 104 104 THR N N 104 119.413 119.413 113.789 5.624 25488 5584 1 10 . 1 1 104 104 THR HA H 104 4.019 4.019 3.927 0.092 25488 5585 1 10 . 1 1 104 104 THR H H 104 6.915 6.915 7.730 -0.815 25488 5586 1 10 . 1 1 105 105 VAL N N 105 123.232 123.232 120.821 2.411 25488 5587 1 10 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.646 -0.232 25488 5588 1 10 . 1 1 105 105 VAL H H 105 7.379 7.379 7.135 0.244 25488 5589 1 10 . 1 1 106 106 ASP N N 106 120.160 120.160 119.751 0.409 25488 5590 1 10 . 1 1 106 106 ASP H H 106 8.615 8.615 8.012 0.603 25488 5591 1 10 . 1 1 107 107 ARG N N 107 121.041 121.041 118.555 2.486 25488 5592 1 10 . 1 1 107 107 ARG HA H 107 4.090 4.090 3.944 0.146 25488 5593 1 10 . 1 1 107 107 ARG H H 107 8.372 8.372 7.693 0.679 25488 5594 1 10 . 1 1 108 108 LEU N N 108 121.644 121.644 118.661 2.983 25488 5595 1 10 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.188 0.065 25488 5596 1 10 . 1 1 108 108 LEU H H 108 8.768 8.768 7.781 0.987 25488 5597 1 10 . 1 1 109 109 VAL N N 109 120.347 120.347 115.262 5.085 25488 5598 1 10 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.637 -0.266 25488 5599 1 10 . 1 1 109 109 VAL H H 109 8.762 8.762 8.060 0.702 25488 5600 1 10 . 1 1 110 110 SER N N 110 112.949 112.949 118.393 -5.444 25488 5601 1 10 . 1 1 110 110 SER HA H 110 4.270 4.270 3.947 0.323 25488 5602 1 10 . 1 1 110 110 SER H H 110 7.605 7.605 7.437 0.168 25488 5603 1 10 . 1 1 111 111 LYS N N 111 122.434 122.434 121.008 1.426 25488 5604 1 10 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.919 0.123 25488 5605 1 10 . 1 1 111 111 LYS H H 111 8.146 8.146 8.179 -0.033 25488 5606 1 10 . 1 1 112 112 ALA N N 112 124.099 124.099 120.603 3.496 25488 5607 1 10 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.025 0.052 25488 5608 1 10 . 1 1 112 112 ALA H H 112 8.270 8.270 7.746 0.524 25488 5609 1 10 . 1 1 113 113 LEU N N 113 116.251 116.251 118.592 -2.341 25488 5610 1 10 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.773 -0.051 25488 5611 1 10 . 1 1 113 113 LEU H H 113 8.019 8.019 7.710 0.309 25488 5612 1 10 . 1 1 114 114 ASN N N 114 116.659 116.659 117.062 -0.403 25488 5613 1 10 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.503 0.026 25488 5614 1 10 . 1 1 114 114 ASN H H 114 8.197 8.197 8.213 -0.016 25488 5615 1 10 . 1 1 115 115 MET N N 115 122.118 122.118 120.347 1.771 25488 5616 1 10 . 1 1 115 115 MET HA H 115 4.013 4.013 3.976 0.037 25488 5617 1 10 . 1 1 115 115 MET H H 115 7.918 7.918 7.476 0.442 25488 5618 1 10 . 1 1 116 116 TRP N N 116 117.117 117.117 116.402 0.715 25488 5619 1 10 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.501 0.009 25488 5620 1 10 . 1 1 116 116 TRP H H 116 6.773 6.773 7.334 -0.561 25488 5621 1 10 . 1 1 117 117 GLY N N 117 104.656 104.656 106.338 -1.682 25488 5622 1 10 . 1 1 117 117 GLY H H 117 9.305 9.305 8.365 0.940 25488 5623 1 10 . 1 1 118 118 LYS N N 118 118.567 118.567 119.451 -0.884 25488 5624 1 10 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.173 0.004 25488 5625 1 10 . 1 1 118 118 LYS H H 118 7.947 7.947 7.676 0.271 25488 5626 1 10 . 1 1 119 119 GLU N N 119 113.899 113.899 117.653 -3.754 25488 5627 1 10 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.426 0.382 25488 5628 1 10 . 1 1 119 119 GLU H H 119 7.773 7.773 7.903 -0.130 25488 5629 1 10 . 1 1 120 120 ILE N N 120 111.215 111.215 120.153 -8.938 25488 5630 1 10 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.923 0.398 25488 5631 1 10 . 1 1 120 120 ILE H H 120 7.528 7.528 8.028 -0.500 25488 5632 1 10 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.466 0.155 25488 5633 1 10 . 1 1 122 122 LEU N N 122 121.481 121.481 122.896 -1.415 25488 5634 1 10 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.145 0.147 25488 5635 1 10 . 1 1 122 122 LEU H H 122 6.815 6.815 7.579 -0.764 25488 5636 1 10 . 1 1 123 123 HIS N N 123 120.769 120.769 123.242 -2.473 25488 5637 1 10 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.692 -0.100 25488 5638 1 10 . 1 1 123 123 HIS H H 123 7.709 7.709 8.973 -1.264 25488 5639 1 10 . 1 1 124 124 PHE N N 124 120.530 120.530 123.828 -3.298 25488 5640 1 10 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.308 0.504 25488 5641 1 10 . 1 1 124 124 PHE H H 124 8.306 8.306 8.872 -0.566 25488 5642 1 10 . 1 1 125 125 ARG N N 125 123.891 123.891 125.473 -1.582 25488 5643 1 10 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.825 -0.172 25488 5644 1 10 . 1 1 125 125 ARG H H 125 8.408 8.408 8.856 -0.448 25488 5645 1 10 . 1 1 126 126 LYS N N 126 130.178 130.178 126.229 3.949 25488 5646 1 10 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.751 -0.390 25488 5647 1 10 . 1 1 126 126 LYS H H 126 8.468 8.468 8.514 -0.046 25488 5648 1 10 . 1 1 127 127 VAL N N 127 125.180 125.180 126.636 -1.456 25488 5649 1 10 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.263 0.245 25488 5650 1 10 . 1 1 127 127 VAL H H 127 8.679 8.679 8.700 -0.021 25488 5651 1 10 . 1 1 128 128 VAL N N 128 117.584 117.584 117.974 -0.390 25488 5652 1 10 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.130 0.156 25488 5653 1 10 . 1 1 128 128 VAL H H 128 8.469 8.469 8.230 0.239 25488 5654 1 10 . 1 1 129 129 TRP N N 129 119.805 119.805 119.639 0.166 25488 5655 1 10 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.832 -0.146 25488 5656 1 10 . 1 1 129 129 TRP H H 129 7.447 7.447 7.628 -0.181 25488 5657 1 10 . 1 1 130 130 GLY N N 130 109.844 109.844 111.567 -1.723 25488 5658 1 10 . 1 1 130 130 GLY H H 130 8.072 8.072 8.178 -0.106 25488 5659 1 10 . 1 1 131 131 THR N N 131 116.125 116.125 110.513 5.612 25488 5660 1 10 . 1 1 131 131 THR HA H 131 4.123 4.123 4.283 -0.160 25488 5661 1 10 . 1 1 131 131 THR H H 131 8.196 8.196 8.302 -0.106 25488 5662 1 10 . 1 1 132 132 ALA N N 132 129.613 129.613 125.794 3.819 25488 5663 1 10 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.439 0.072 25488 5664 1 10 . 1 1 132 132 ALA H H 132 7.919 7.919 7.930 -0.011 25488 5665 1 10 . 1 1 133 133 ASP N N 133 123.004 123.004 120.826 2.178 25488 5666 1 10 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.578 -0.136 25488 5667 1 10 . 1 1 133 133 ASP H H 133 8.248 8.248 8.356 -0.108 25488 5668 1 10 . 1 1 134 134 ILE N N 134 125.478 125.478 121.350 4.128 25488 5669 1 10 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.485 -0.392 25488 5670 1 10 . 1 1 134 134 ILE H H 134 8.804 8.804 8.228 0.576 25488 5671 1 10 . 1 1 135 135 MET N N 135 127.471 127.471 127.592 -0.121 25488 5672 1 10 . 1 1 135 135 MET HA H 135 5.194 5.194 4.718 0.475 25488 5673 1 10 . 1 1 135 135 MET H H 135 7.437 7.437 8.985 -1.548 25488 5674 1 10 . 1 1 136 136 ILE N N 136 125.040 125.040 125.693 -0.653 25488 5675 1 10 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.890 0.687 25488 5676 1 10 . 1 1 136 136 ILE H H 136 9.085 9.085 8.942 0.143 25488 5677 1 10 . 1 1 137 137 GLY N N 137 112.059 112.059 114.413 -2.354 25488 5678 1 10 . 1 1 137 137 GLY H H 137 8.568 8.568 9.124 -0.556 25488 5679 1 10 . 1 1 138 138 PHE N N 138 119.447 119.447 121.218 -1.771 25488 5680 1 10 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.368 0.086 25488 5681 1 10 . 1 1 138 138 PHE H H 138 7.861 7.861 8.566 -0.705 25488 5682 1 10 . 1 1 139 139 ALA N N 139 123.657 123.657 126.795 -3.138 25488 5683 1 10 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.757 -0.022 25488 5684 1 10 . 1 1 139 139 ALA H H 139 8.939 8.939 9.017 -0.078 25488 5685 1 10 . 1 1 140 140 ARG N N 140 118.688 118.688 119.403 -0.715 25488 5686 1 10 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.818 0.256 25488 5687 1 10 . 1 1 140 140 ARG H H 140 8.563 8.563 8.570 -0.007 25488 5688 1 10 . 1 1 141 141 GLY N N 141 108.964 108.964 110.797 -1.833 25488 5689 1 10 . 1 1 141 141 GLY H H 141 9.018 9.018 9.428 -0.410 25488 5690 1 10 . 1 1 143 143 HIS N N 143 120.218 120.218 116.971 3.247 25488 5691 1 10 . 1 1 143 143 HIS H H 143 8.998 8.998 7.865 1.133 25488 5692 1 10 . 1 1 145 145 ASP N N 145 117.684 117.684 121.220 -3.536 25488 5693 1 10 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.881 -0.181 25488 5694 1 10 . 1 1 145 145 ASP H H 145 7.088 7.088 8.095 -1.007 25488 5695 1 10 . 1 1 146 146 SER HA H 146 4.140 4.140 4.424 -0.284 25488 5696 1 10 . 1 1 146 146 SER H H 146 8.220 8.220 8.584 -0.364 25488 5697 1 10 . 1 1 147 147 TYR N N 147 120.867 120.867 118.822 2.045 25488 5698 1 10 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.224 0.564 25488 5699 1 10 . 1 1 147 147 TYR H H 147 7.459 7.459 8.138 -0.679 25488 5700 1 10 . 1 1 149 149 PHE N N 149 120.630 120.630 117.238 3.392 25488 5701 1 10 . 1 1 149 149 PHE H H 149 8.018 8.018 8.499 -0.481 25488 5702 1 10 . 1 1 150 150 ASP N N 150 115.626 115.626 119.477 -3.851 25488 5703 1 10 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.083 0.760 25488 5704 1 10 . 1 1 150 150 ASP H H 150 7.543 7.543 7.805 -0.262 25488 5705 1 10 . 1 1 151 151 GLY N N 151 110.700 110.700 110.023 0.677 25488 5706 1 10 . 1 1 151 151 GLY H H 151 9.074 9.074 7.962 1.112 25488 5707 1 10 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.374 -0.348 25488 5708 1 10 . 1 1 153 153 GLY N N 153 118.786 118.786 112.915 5.871 25488 5709 1 10 . 1 1 153 153 GLY H H 153 11.385 11.385 8.829 2.556 25488 5710 1 10 . 1 1 154 154 ASN N N 154 120.613 120.613 118.386 2.227 25488 5711 1 10 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.318 -0.120 25488 5712 1 10 . 1 1 154 154 ASN H H 154 9.225 9.225 8.337 0.888 25488 5713 1 10 . 1 1 155 155 THR N N 155 118.700 118.700 114.230 4.470 25488 5714 1 10 . 1 1 155 155 THR HA H 155 5.542 5.542 4.359 1.183 25488 5715 1 10 . 1 1 155 155 THR H H 155 9.519 9.519 8.247 1.272 25488 5716 1 10 . 1 1 156 156 LEU N N 156 122.765 122.765 118.331 4.434 25488 5717 1 10 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.955 -0.013 25488 5718 1 10 . 1 1 156 156 LEU H H 156 8.500 8.500 8.489 0.011 25488 5719 1 10 . 1 1 157 157 ALA N N 157 115.545 115.545 119.832 -4.287 25488 5720 1 10 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.930 0.077 25488 5721 1 10 . 1 1 157 157 ALA H H 157 7.545 7.545 7.502 0.043 25488 5722 1 10 . 1 1 158 158 HIS N N 158 111.868 111.868 115.621 -3.753 25488 5723 1 10 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.786 -0.169 25488 5724 1 10 . 1 1 158 158 HIS H H 158 8.774 8.774 8.333 0.441 25488 5725 1 10 . 1 1 159 159 ALA N N 159 118.565 118.565 125.535 -6.970 25488 5726 1 10 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.859 -0.202 25488 5727 1 10 . 1 1 159 159 ALA H H 159 6.114 6.114 8.230 -2.116 25488 5728 1 10 . 1 1 160 160 PHE N N 160 118.042 118.042 122.595 -4.553 25488 5729 1 10 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.722 -0.241 25488 5730 1 10 . 1 1 160 160 PHE H H 160 7.897 7.897 8.514 -0.617 25488 5731 1 10 . 1 1 161 161 ALA N N 161 123.548 123.548 123.704 -0.156 25488 5732 1 10 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.547 -0.064 25488 5733 1 10 . 1 1 161 161 ALA H H 161 8.089 8.089 8.308 -0.219 25488 5734 1 10 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.183 -0.312 25488 5735 1 10 . 1 1 163 163 GLY N N 163 107.255 107.255 109.555 -2.300 25488 5736 1 10 . 1 1 163 163 GLY H H 163 5.992 5.992 7.054 -1.062 25488 5737 1 10 . 1 1 165 165 GLY H H 165 9.149 9.149 8.082 1.067 25488 5738 1 10 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.247 -0.094 25488 5739 1 10 . 1 1 167 167 GLY N N 167 103.338 103.338 103.909 -0.571 25488 5740 1 10 . 1 1 167 167 GLY H H 167 7.774 7.774 7.367 0.407 25488 5741 1 10 . 1 1 168 168 GLY N N 168 121.031 121.031 108.899 12.132 25488 5742 1 10 . 1 1 168 168 GLY H H 168 7.685 7.685 8.034 -0.349 25488 5743 1 10 . 1 1 169 169 ASP N N 169 123.703 123.703 124.530 -0.827 25488 5744 1 10 . 1 1 169 169 ASP H H 169 8.578 8.578 7.867 0.711 25488 5745 1 10 . 1 1 170 170 ALA N N 170 119.569 119.569 124.015 -4.446 25488 5746 1 10 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.979 -0.275 25488 5747 1 10 . 1 1 170 170 ALA H H 170 8.371 8.371 8.389 -0.018 25488 5748 1 10 . 1 1 171 171 HIS N N 171 120.286 120.286 119.599 0.687 25488 5749 1 10 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.096 0.634 25488 5750 1 10 . 1 1 171 171 HIS H H 171 8.513 8.513 8.124 0.389 25488 5751 1 10 . 1 1 172 172 PHE N N 172 120.919 120.919 121.883 -0.964 25488 5752 1 10 . 1 1 172 172 PHE H H 172 8.457 8.457 8.500 -0.043 25488 5753 1 10 . 1 1 173 173 ASP N N 173 123.993 123.993 121.982 2.011 25488 5754 1 10 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.358 -1.462 25488 5755 1 10 . 1 1 173 173 ASP H H 173 7.915 7.915 8.921 -1.006 25488 5756 1 10 . 1 1 174 174 GLU N N 174 132.684 132.684 127.099 5.585 25488 5757 1 10 . 1 1 174 174 GLU H H 174 9.461 9.461 9.130 0.331 25488 5758 1 10 . 1 1 175 175 ASP N N 175 117.313 117.313 117.330 -0.017 25488 5759 1 10 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.800 -0.003 25488 5760 1 10 . 1 1 175 175 ASP H H 175 8.756 8.756 7.985 0.771 25488 5761 1 10 . 1 1 176 176 GLU N N 176 116.511 116.511 120.059 -3.548 25488 5762 1 10 . 1 1 176 176 GLU H H 176 7.154 7.154 7.564 -0.410 25488 5763 1 10 . 1 1 177 177 ARG N N 177 121.920 121.920 124.237 -2.317 25488 5764 1 10 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.331 0.294 25488 5765 1 10 . 1 1 177 177 ARG H H 177 7.555 7.555 8.215 -0.660 25488 5766 1 10 . 1 1 178 178 TRP N N 178 129.182 129.182 124.199 4.983 25488 5767 1 10 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.753 -0.640 25488 5768 1 10 . 1 1 178 178 TRP H H 178 8.788 8.788 8.581 0.207 25488 5769 1 10 . 1 1 179 179 THR N N 179 112.874 112.874 114.820 -1.946 25488 5770 1 10 . 1 1 179 179 THR HA H 179 5.015 5.015 4.670 0.345 25488 5771 1 10 . 1 1 179 179 THR H H 179 8.946 8.946 8.738 0.208 25488 5772 1 10 . 1 1 180 180 ASP N N 180 121.969 121.969 123.070 -1.101 25488 5773 1 10 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.821 -0.399 25488 5774 1 10 . 1 1 180 180 ASP H H 180 8.478 8.478 8.637 -0.159 25488 5775 1 10 . 1 1 181 181 GLY N N 181 110.059 110.059 107.263 2.796 25488 5776 1 10 . 1 1 181 181 GLY H H 181 8.572 8.572 8.491 0.081 25488 5777 1 10 . 1 1 182 182 SER N N 182 115.564 115.564 115.438 0.126 25488 5778 1 10 . 1 1 182 182 SER HA H 182 4.599 4.599 4.508 0.091 25488 5779 1 10 . 1 1 182 182 SER H H 182 8.173 8.173 8.362 -0.189 25488 5780 1 10 . 1 1 183 183 SER N N 183 117.066 117.066 112.102 4.964 25488 5781 1 10 . 1 1 183 183 SER H H 183 7.819 7.819 8.395 -0.576 25488 5782 1 10 . 1 1 184 184 LEU N N 184 121.954 121.954 118.494 3.460 25488 5783 1 10 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.287 0.075 25488 5784 1 10 . 1 1 184 184 LEU H H 184 8.104 8.104 8.163 -0.059 25488 5785 1 10 . 1 1 185 185 GLY N N 185 108.989 108.989 103.808 5.181 25488 5786 1 10 . 1 1 185 185 GLY H H 185 7.954 7.954 7.381 0.573 25488 5787 1 10 . 1 1 186 186 ILE N N 186 123.084 123.084 119.470 3.614 25488 5788 1 10 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.282 -0.503 25488 5789 1 10 . 1 1 186 186 ILE H H 186 8.878 8.878 8.075 0.803 25488 5790 1 10 . 1 1 187 187 ASN N N 187 126.999 126.999 123.323 3.676 25488 5791 1 10 . 1 1 187 187 ASN HA H 187 4.396 4.396 5.023 -0.627 25488 5792 1 10 . 1 1 187 187 ASN H H 187 8.575 8.575 8.412 0.163 25488 5793 1 10 . 1 1 188 188 PHE N N 188 129.819 129.819 128.150 1.669 25488 5794 1 10 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.479 0.112 25488 5795 1 10 . 1 1 188 188 PHE H H 188 9.365 9.365 8.392 0.973 25488 5796 1 10 . 1 1 189 189 LEU N N 189 119.292 119.292 123.329 -4.037 25488 5797 1 10 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.833 0.000 25488 5798 1 10 . 1 1 189 189 LEU H H 189 8.551 8.551 8.151 0.400 25488 5799 1 10 . 1 1 191 191 ALA N N 191 120.347 120.347 121.895 -1.548 25488 5800 1 10 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.153 0.144 25488 5801 1 10 . 1 1 191 191 ALA H H 191 7.973 7.973 7.752 0.221 25488 5802 1 10 . 1 1 192 192 ALA N N 192 121.365 121.365 120.157 1.208 25488 5803 1 10 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.192 -0.175 25488 5804 1 10 . 1 1 192 192 ALA H H 192 9.258 9.258 8.120 1.138 25488 5805 1 10 . 1 1 193 193 THR N N 193 117.027 117.027 115.642 1.385 25488 5806 1 10 . 1 1 193 193 THR HA H 193 3.825 3.825 3.979 -0.154 25488 5807 1 10 . 1 1 193 193 THR H H 193 8.209 8.209 7.652 0.557 25488 5808 1 10 . 1 1 194 194 HIS N N 194 120.231 120.231 120.835 -0.604 25488 5809 1 10 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.528 -0.295 25488 5810 1 10 . 1 1 194 194 HIS H H 194 7.805 7.805 8.220 -0.415 25488 5811 1 10 . 1 1 195 195 ALA N N 195 121.346 121.346 122.179 -0.833 25488 5812 1 10 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.299 -0.119 25488 5813 1 10 . 1 1 195 195 ALA H H 195 8.693 8.693 7.686 1.007 25488 5814 1 10 . 1 1 196 196 LEU N N 196 114.951 114.951 115.361 -0.410 25488 5815 1 10 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.347 -0.189 25488 5816 1 10 . 1 1 196 196 LEU H H 196 8.714 8.714 8.398 0.316 25488 5817 1 10 . 1 1 197 197 GLY N N 197 107.954 107.954 106.741 1.213 25488 5818 1 10 . 1 1 197 197 GLY H H 197 7.540 7.540 7.685 -0.145 25488 5819 1 10 . 1 1 198 198 HIS N N 198 121.996 121.996 120.822 1.174 25488 5820 1 10 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.442 0.367 25488 5821 1 10 . 1 1 198 198 HIS H H 198 7.205 7.205 7.464 -0.259 25488 5822 1 10 . 1 1 199 199 SER N N 199 118.570 118.570 114.924 3.646 25488 5823 1 10 . 1 1 199 199 SER HA H 199 4.448 4.448 4.451 -0.003 25488 5824 1 10 . 1 1 199 199 SER H H 199 7.886 7.886 8.183 -0.297 25488 5825 1 10 . 1 1 200 200 LEU N N 200 114.779 114.779 116.343 -1.564 25488 5826 1 10 . 1 1 200 200 LEU H H 200 7.106 7.106 7.545 -0.439 25488 5827 1 10 . 1 1 201 201 GLY N N 201 108.350 108.350 105.752 2.598 25488 5828 1 10 . 1 1 201 201 GLY H H 201 8.213 8.213 7.489 0.724 25488 5829 1 10 . 1 1 202 202 MET N N 202 119.623 119.623 120.075 -0.452 25488 5830 1 10 . 1 1 202 202 MET HA H 202 4.484 4.484 4.590 -0.106 25488 5831 1 10 . 1 1 202 202 MET H H 202 8.189 8.189 7.468 0.721 25488 5832 1 10 . 1 1 203 203 GLY N N 203 109.770 109.770 107.604 2.166 25488 5833 1 10 . 1 1 203 203 GLY H H 203 8.413 8.413 8.271 0.142 25488 5834 1 10 . 1 1 204 204 HIS N N 204 115.793 115.793 117.743 -1.950 25488 5835 1 10 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.665 0.709 25488 5836 1 10 . 1 1 204 204 HIS H H 204 8.383 8.383 8.367 0.016 25488 5837 1 10 . 1 1 205 205 SER N N 205 115.497 115.497 113.597 1.900 25488 5838 1 10 . 1 1 205 205 SER HA H 205 4.721 4.721 4.847 -0.126 25488 5839 1 10 . 1 1 205 205 SER H H 205 7.223 7.223 8.427 -1.204 25488 5840 1 10 . 1 1 206 206 SER N N 206 119.268 119.268 116.687 2.581 25488 5841 1 10 . 1 1 206 206 SER HA H 206 3.721 3.721 4.695 -0.974 25488 5842 1 10 . 1 1 206 206 SER H H 206 8.290 8.290 8.643 -0.353 25488 5843 1 10 . 1 1 207 207 ASP N N 207 126.656 126.656 123.190 3.466 25488 5844 1 10 . 1 1 207 207 ASP H H 207 8.541 8.541 7.577 0.964 25488 5845 1 10 . 1 1 209 209 ASN N N 209 115.911 115.911 117.165 -1.254 25488 5846 1 10 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.458 0.158 25488 5847 1 10 . 1 1 209 209 ASN H H 209 8.374 8.374 8.069 0.305 25488 5848 1 10 . 1 1 210 210 ALA N N 210 124.929 124.929 122.568 2.361 25488 5849 1 10 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.425 -0.271 25488 5850 1 10 . 1 1 210 210 ALA H H 210 8.182 8.182 6.959 1.223 25488 5851 1 10 . 1 1 211 211 VAL N N 211 130.383 130.383 123.003 7.380 25488 5852 1 10 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.629 0.621 25488 5853 1 10 . 1 1 211 211 VAL H H 211 11.554 11.554 8.740 2.814 25488 5854 1 10 . 1 1 212 212 MET N N 212 113.319 113.319 112.940 0.379 25488 5855 1 10 . 1 1 212 212 MET H H 212 7.741 7.741 7.693 0.048 25488 5856 1 10 . 1 1 213 213 TYR N N 213 130.006 130.006 122.766 7.240 25488 5857 1 10 . 1 1 213 213 TYR H H 213 7.899 7.899 7.263 0.636 25488 5858 1 10 . 1 1 215 215 THR N N 215 104.747 104.747 110.096 -5.349 25488 5859 1 10 . 1 1 215 215 THR HA H 215 4.404 4.404 4.388 0.016 25488 5860 1 10 . 1 1 215 215 THR H H 215 6.402 6.402 7.535 -1.133 25488 5861 1 10 . 1 1 216 216 TYR N N 216 124.699 124.699 123.637 1.062 25488 5862 1 10 . 1 1 216 216 TYR H H 216 8.341 8.341 8.115 0.226 25488 5863 1 10 . 1 1 217 217 GLY N N 217 116.288 116.288 112.456 3.832 25488 5864 1 10 . 1 1 217 217 GLY H H 217 7.685 7.685 7.929 -0.244 25488 5865 1 10 . 1 1 218 218 ASN N N 218 119.920 119.920 115.552 4.368 25488 5866 1 10 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.821 -0.201 25488 5867 1 10 . 1 1 218 218 ASN H H 218 8.221 8.221 8.607 -0.386 25488 5868 1 10 . 1 1 219 219 GLY N N 219 109.601 109.601 106.971 2.630 25488 5869 1 10 . 1 1 219 219 GLY H H 219 8.072 8.072 7.673 0.399 25488 5870 1 10 . 1 1 220 220 ASP N N 220 123.006 123.006 121.389 1.617 25488 5871 1 10 . 1 1 220 220 ASP H H 220 8.280 8.280 8.361 -0.081 25488 5872 1 10 . 1 1 222 222 GLN N N 222 116.642 116.642 118.236 -1.594 25488 5873 1 10 . 1 1 222 222 GLN H H 222 8.215 8.215 8.469 -0.254 25488 5874 1 10 . 1 1 223 223 ASN N N 223 118.361 118.361 119.001 -0.640 25488 5875 1 10 . 1 1 223 223 ASN H H 223 7.970 7.970 8.379 -0.409 25488 5876 1 10 . 1 1 225 225 LYS N N 225 122.215 122.215 124.257 -2.042 25488 5877 1 10 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.347 0.069 25488 5878 1 10 . 1 1 225 225 LYS H H 225 7.656 7.656 7.532 0.124 25488 5879 1 10 . 1 1 226 226 LEU N N 226 119.165 119.165 120.894 -1.729 25488 5880 1 10 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.483 -0.395 25488 5881 1 10 . 1 1 226 226 LEU H H 226 7.984 7.984 8.326 -0.342 25488 5882 1 10 . 1 1 227 227 SER N N 227 120.520 120.520 117.449 3.071 25488 5883 1 10 . 1 1 227 227 SER HA H 227 4.676 4.676 4.405 0.271 25488 5884 1 10 . 1 1 227 227 SER H H 227 9.646 9.646 8.651 0.995 25488 5885 1 10 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.405 0.269 25488 5886 1 10 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.505 -0.131 25488 5887 1 10 . 1 1 229 229 ASP H H 229 8.113 8.113 8.275 -0.162 25488 5888 1 10 . 1 1 230 230 ASP N N 230 119.878 119.878 118.789 1.089 25488 5889 1 10 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.545 -0.207 25488 5890 1 10 . 1 1 230 230 ASP H H 230 7.397 7.397 7.641 -0.244 25488 5891 1 10 . 1 1 231 231 ILE N N 231 120.389 120.389 119.780 0.609 25488 5892 1 10 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.900 -0.245 25488 5893 1 10 . 1 1 231 231 ILE H H 231 8.100 8.100 7.363 0.737 25488 5894 1 10 . 1 1 232 232 LYS N N 232 119.084 119.084 120.366 -1.282 25488 5895 1 10 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.957 0.138 25488 5896 1 10 . 1 1 232 232 LYS H H 232 8.581 8.581 7.809 0.772 25488 5897 1 10 . 1 1 233 233 GLY N N 233 106.424 106.424 106.877 -0.453 25488 5898 1 10 . 1 1 233 233 GLY H H 233 8.061 8.061 7.542 0.519 25488 5899 1 10 . 1 1 234 234 ILE N N 234 125.166 125.166 121.915 3.251 25488 5900 1 10 . 1 1 234 234 ILE H H 234 8.517 8.517 7.795 0.722 25488 5901 1 10 . 1 1 235 235 GLN N N 235 122.969 122.969 119.141 3.828 25488 5902 1 10 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.186 0.195 25488 5903 1 10 . 1 1 235 235 GLN H H 235 8.291 8.291 7.679 0.612 25488 5904 1 10 . 1 1 236 236 LYS N N 236 123.770 123.770 115.934 7.836 25488 5905 1 10 . 1 1 236 236 LYS H H 236 8.035 8.035 7.774 0.261 25488 5906 1 10 . 1 1 237 237 LEU N N 237 116.854 116.854 119.449 -2.595 25488 5907 1 10 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.024 -0.065 25488 5908 1 10 . 1 1 237 237 LEU H H 237 6.886 6.886 7.160 -0.274 25488 5909 1 10 . 1 1 238 238 TYR N N 238 112.132 112.132 115.228 -3.096 25488 5910 1 10 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.589 0.037 25488 5911 1 10 . 1 1 238 238 TYR H H 238 7.459 7.459 7.288 0.171 25488 5912 1 10 . 1 1 239 239 GLY N N 239 110.898 110.898 106.956 3.942 25488 5913 1 10 . 1 1 239 239 GLY H H 239 8.442 8.442 7.564 0.878 25488 5914 1 10 . 1 1 240 240 LYS N N 240 114.400 114.400 119.679 -5.279 25488 5915 1 10 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.403 0.401 25488 5916 1 10 . 1 1 240 240 LYS H H 240 7.865 7.865 8.350 -0.485 25488 5917 1 10 . 1 1 241 241 ARG N N 241 123.851 123.851 119.726 4.125 25488 5918 1 10 . 1 1 241 241 ARG H H 241 7.760 7.760 8.543 -0.783 25488 5919 1 10 . 1 1 242 242 SER N N 242 135.647 135.647 114.733 20.914 25488 5920 1 10 . 1 1 242 242 SER H H 242 9.158 9.158 8.696 0.462 25488 5921 1 11 . 1 1 3 3 GLU N N 3 121.690 121.690 122.816 -1.126 25488 5922 1 11 . 1 1 3 3 GLU H H 3 8.332 8.332 8.390 -0.058 25488 5923 1 11 . 1 1 4 4 ALA N N 4 124.526 124.526 120.463 4.063 25488 5924 1 11 . 1 1 4 4 ALA H H 4 8.111 8.111 8.264 -0.153 25488 5925 1 11 . 1 1 5 5 GLY N N 5 108.229 108.229 103.523 4.706 25488 5926 1 11 . 1 1 5 5 GLY H H 5 8.286 8.286 7.885 0.401 25488 5927 1 11 . 1 1 6 6 GLY N N 6 108.867 108.867 108.446 0.421 25488 5928 1 11 . 1 1 6 6 GLY H H 6 8.239 8.239 7.945 0.294 25488 5929 1 11 . 1 1 7 7 MET N N 7 119.984 119.984 120.446 -0.462 25488 5930 1 11 . 1 1 7 7 MET H H 7 8.044 8.044 7.713 0.331 25488 5931 1 11 . 1 1 8 8 SER N N 8 118.771 118.771 116.846 1.925 25488 5932 1 11 . 1 1 8 8 SER HA H 8 4.239 4.239 4.574 -0.335 25488 5933 1 11 . 1 1 8 8 SER H H 8 8.738 8.738 8.342 0.396 25488 5934 1 11 . 1 1 9 9 GLU N N 9 122.551 122.551 121.765 0.786 25488 5935 1 11 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.059 0.193 25488 5936 1 11 . 1 1 9 9 GLU H H 9 8.919 8.919 8.990 -0.071 25488 5937 1 11 . 1 1 10 10 LEU N N 10 120.638 120.638 118.528 2.110 25488 5938 1 11 . 1 1 10 10 LEU H H 10 8.017 8.017 8.070 -0.053 25488 5939 1 11 . 1 1 11 11 GLN N N 11 119.889 119.889 118.608 1.281 25488 5940 1 11 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.952 0.182 25488 5941 1 11 . 1 1 11 11 GLN H H 11 7.807 7.807 7.766 0.041 25488 5942 1 11 . 1 1 12 12 TRP N N 12 120.951 120.951 121.341 -0.390 25488 5943 1 11 . 1 1 12 12 TRP H H 12 8.202 8.202 7.905 0.296 25488 5944 1 11 . 1 1 13 13 GLU N N 13 121.870 121.870 118.035 3.835 25488 5945 1 11 . 1 1 13 13 GLU H H 13 8.436 8.436 8.376 0.060 25488 5946 1 11 . 1 1 14 14 GLN N N 14 120.646 120.646 117.605 3.041 25488 5947 1 11 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.223 -0.054 25488 5948 1 11 . 1 1 14 14 GLN H H 14 8.159 8.159 7.789 0.370 25488 5949 1 11 . 1 1 15 15 ALA N N 15 123.216 123.216 124.394 -1.178 25488 5950 1 11 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.012 0.326 25488 5951 1 11 . 1 1 15 15 ALA H H 15 8.355 8.355 7.879 0.476 25488 5952 1 11 . 1 1 16 16 GLN N N 16 117.766 117.766 117.525 0.241 25488 5953 1 11 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.981 -0.276 25488 5954 1 11 . 1 1 16 16 GLN H H 16 8.440 8.440 8.532 -0.092 25488 5955 1 11 . 1 1 17 17 ASP N N 17 120.090 120.090 119.375 0.715 25488 5956 1 11 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.331 0.132 25488 5957 1 11 . 1 1 17 17 ASP H H 17 7.899 7.899 8.073 -0.174 25488 5958 1 11 . 1 1 18 18 TYR N N 18 122.296 122.296 119.197 3.099 25488 5959 1 11 . 1 1 18 18 TYR H H 18 8.264 8.264 7.405 0.859 25488 5960 1 11 . 1 1 19 19 LEU N N 19 117.675 117.675 119.502 -1.827 25488 5961 1 11 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.789 0.336 25488 5962 1 11 . 1 1 19 19 LEU H H 19 8.687 8.687 7.608 1.079 25488 5963 1 11 . 1 1 20 20 LYS N N 20 124.620 124.620 115.414 9.206 25488 5964 1 11 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.236 -0.093 25488 5965 1 11 . 1 1 20 20 LYS H H 20 8.790 8.790 7.184 1.606 25488 5966 1 11 . 1 1 21 21 ARG N N 21 117.608 117.608 118.615 -1.007 25488 5967 1 11 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.297 -0.600 25488 5968 1 11 . 1 1 21 21 ARG H H 21 7.835 7.835 6.899 0.936 25488 5969 1 11 . 1 1 22 22 PHE N N 22 112.136 112.136 116.565 -4.429 25488 5970 1 11 . 1 1 22 22 PHE H H 22 8.003 8.003 6.912 1.091 25488 5971 1 11 . 1 1 23 23 TYR N N 23 116.244 116.244 116.804 -0.560 25488 5972 1 11 . 1 1 23 23 TYR H H 23 7.678 7.678 7.545 0.133 25488 5973 1 11 . 1 1 24 24 LEU N N 24 115.582 115.582 117.499 -1.917 25488 5974 1 11 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.962 0.173 25488 5975 1 11 . 1 1 24 24 LEU H H 24 7.238 7.238 7.575 -0.337 25488 5976 1 11 . 1 1 25 25 TYR N N 25 119.996 119.996 113.959 6.037 25488 5977 1 11 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.928 -0.523 25488 5978 1 11 . 1 1 25 25 TYR H H 25 7.826 7.826 7.320 0.506 25488 5979 1 11 . 1 1 26 26 ASP N N 26 129.292 129.292 119.355 9.937 25488 5980 1 11 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.731 -0.270 25488 5981 1 11 . 1 1 26 26 ASP H H 26 8.121 8.121 8.376 -0.255 25488 5982 1 11 . 1 1 28 28 GLU N N 28 122.115 122.115 120.573 1.542 25488 5983 1 11 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.400 -0.119 25488 5984 1 11 . 1 1 28 28 GLU H H 28 8.262 8.262 8.005 0.257 25488 5985 1 11 . 1 1 29 29 THR N N 29 114.171 114.171 114.628 -0.457 25488 5986 1 11 . 1 1 29 29 THR HA H 29 4.222 4.222 4.307 -0.085 25488 5987 1 11 . 1 1 29 29 THR H H 29 7.496 7.496 7.673 -0.177 25488 5988 1 11 . 1 1 30 30 LYS N N 30 123.019 123.019 121.976 1.043 25488 5989 1 11 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.371 -0.153 25488 5990 1 11 . 1 1 30 30 LYS H H 30 8.154 8.154 7.416 0.738 25488 5991 1 11 . 1 1 32 32 ALA N N 32 126.481 126.481 126.596 -0.115 25488 5992 1 11 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.137 0.113 25488 5993 1 11 . 1 1 32 32 ALA H H 32 8.424 8.424 8.684 -0.260 25488 5994 1 11 . 1 1 33 33 ASN N N 33 116.834 116.834 117.578 -0.744 25488 5995 1 11 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.503 0.195 25488 5996 1 11 . 1 1 33 33 ASN H H 33 8.312 8.312 7.996 0.316 25488 5997 1 11 . 1 1 34 34 SER N N 34 116.960 116.960 116.385 0.575 25488 5998 1 11 . 1 1 34 34 SER HA H 34 4.522 4.522 4.250 0.272 25488 5999 1 11 . 1 1 34 34 SER H H 34 8.112 8.112 7.901 0.211 25488 6000 1 11 . 1 1 35 35 LEU N N 35 125.335 125.335 123.086 2.249 25488 6001 1 11 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.202 -0.651 25488 6002 1 11 . 1 1 35 35 LEU H H 35 8.324 8.324 7.902 0.422 25488 6003 1 11 . 1 1 36 36 GLU N N 36 119.302 119.302 119.779 -0.477 25488 6004 1 11 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.011 -0.068 25488 6005 1 11 . 1 1 36 36 GLU H H 36 8.239 8.239 7.886 0.353 25488 6006 1 11 . 1 1 37 37 ALA N N 37 120.683 120.683 121.190 -0.507 25488 6007 1 11 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.129 -0.082 25488 6008 1 11 . 1 1 37 37 ALA H H 37 7.898 7.898 8.292 -0.394 25488 6009 1 11 . 1 1 38 38 LYS N N 38 119.470 119.470 118.690 0.780 25488 6010 1 11 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.091 0.242 25488 6011 1 11 . 1 1 38 38 LYS H H 38 8.217 8.217 8.071 0.146 25488 6012 1 11 . 1 1 39 39 LEU N N 39 122.664 122.664 120.441 2.223 25488 6013 1 11 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.120 -0.206 25488 6014 1 11 . 1 1 39 39 LEU H H 39 8.658 8.658 7.625 1.033 25488 6015 1 11 . 1 1 40 40 LYS N N 40 118.301 118.301 119.071 -0.770 25488 6016 1 11 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.962 0.711 25488 6017 1 11 . 1 1 40 40 LYS H H 40 8.221 8.221 8.000 0.221 25488 6018 1 11 . 1 1 41 41 GLU N N 41 121.462 121.462 119.367 2.095 25488 6019 1 11 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.210 -0.142 25488 6020 1 11 . 1 1 41 41 GLU H H 41 7.736 7.736 7.949 -0.213 25488 6021 1 11 . 1 1 42 42 MET N N 42 123.761 123.761 120.094 3.667 25488 6022 1 11 . 1 1 42 42 MET HA H 42 4.046 4.046 4.101 -0.055 25488 6023 1 11 . 1 1 42 42 MET H H 42 7.672 7.672 7.773 -0.101 25488 6024 1 11 . 1 1 43 43 GLN N N 43 120.035 120.035 118.094 1.941 25488 6025 1 11 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.001 -0.205 25488 6026 1 11 . 1 1 43 43 GLN H H 43 8.904 8.904 8.524 0.380 25488 6027 1 11 . 1 1 44 44 LYS N N 44 119.131 119.131 120.529 -1.398 25488 6028 1 11 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.251 -0.199 25488 6029 1 11 . 1 1 44 44 LYS H H 44 8.511 8.511 7.898 0.613 25488 6030 1 11 . 1 1 45 45 PHE N N 45 123.544 123.544 119.699 3.845 25488 6031 1 11 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.268 -0.418 25488 6032 1 11 . 1 1 45 45 PHE H H 45 8.438 8.438 8.281 0.157 25488 6033 1 11 . 1 1 46 46 PHE N N 46 112.789 112.789 116.230 -3.441 25488 6034 1 11 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.312 0.270 25488 6035 1 11 . 1 1 46 46 PHE H H 46 8.273 8.273 8.563 -0.290 25488 6036 1 11 . 1 1 47 47 GLY N N 47 110.408 110.408 105.925 4.483 25488 6037 1 11 . 1 1 47 47 GLY H H 47 7.922 7.922 7.537 0.385 25488 6038 1 11 . 1 1 48 48 LEU N N 48 121.853 121.853 122.909 -1.056 25488 6039 1 11 . 1 1 48 48 LEU H H 48 8.747 8.747 8.284 0.463 25488 6040 1 11 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.352 -0.151 25488 6041 1 11 . 1 1 50 50 ILE N N 50 127.000 127.000 120.746 6.254 25488 6042 1 11 . 1 1 50 50 ILE H H 50 8.529 8.529 7.841 0.688 25488 6043 1 11 . 1 1 51 51 THR N N 51 116.519 116.519 118.740 -2.221 25488 6044 1 11 . 1 1 51 51 THR H H 51 7.980 7.980 8.528 -0.548 25488 6045 1 11 . 1 1 52 52 GLY N N 52 112.725 112.725 114.718 -1.993 25488 6046 1 11 . 1 1 52 52 GLY H H 52 9.483 9.483 9.332 0.151 25488 6047 1 11 . 1 1 53 53 MET N N 53 116.735 116.735 120.165 -3.430 25488 6048 1 11 . 1 1 53 53 MET HA H 53 4.044 4.044 4.705 -0.661 25488 6049 1 11 . 1 1 53 53 MET H H 53 7.969 7.969 8.955 -0.986 25488 6050 1 11 . 1 1 54 54 LEU N N 54 122.602 122.602 126.086 -3.484 25488 6051 1 11 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.874 -1.168 25488 6052 1 11 . 1 1 54 54 LEU H H 54 7.926 7.926 8.418 -0.492 25488 6053 1 11 . 1 1 55 55 ASN N N 55 115.755 115.755 122.751 -6.996 25488 6054 1 11 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.952 -0.212 25488 6055 1 11 . 1 1 55 55 ASN H H 55 6.555 6.555 8.407 -1.852 25488 6056 1 11 . 1 1 56 56 SER N N 56 121.450 121.450 121.821 -0.371 25488 6057 1 11 . 1 1 56 56 SER HA H 56 4.662 4.662 4.158 0.504 25488 6058 1 11 . 1 1 56 56 SER H H 56 8.205 8.205 8.956 -0.751 25488 6059 1 11 . 1 1 57 57 ARG N N 57 123.219 123.219 123.067 0.152 25488 6060 1 11 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.987 0.219 25488 6061 1 11 . 1 1 57 57 ARG H H 57 7.883 7.883 7.809 0.074 25488 6062 1 11 . 1 1 58 58 VAL N N 58 118.843 118.843 117.094 1.749 25488 6063 1 11 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.588 -0.288 25488 6064 1 11 . 1 1 58 58 VAL H H 58 7.594 7.594 7.689 -0.095 25488 6065 1 11 . 1 1 59 59 ILE N N 59 119.212 119.212 119.787 -0.575 25488 6066 1 11 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.577 -0.108 25488 6067 1 11 . 1 1 59 59 ILE H H 59 7.326 7.326 7.478 -0.152 25488 6068 1 11 . 1 1 60 60 GLU N N 60 119.544 119.544 120.315 -0.771 25488 6069 1 11 . 1 1 60 60 GLU H H 60 7.880 7.880 7.524 0.356 25488 6070 1 11 . 1 1 61 61 ILE N N 61 118.812 118.812 114.025 4.787 25488 6071 1 11 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.236 0.206 25488 6072 1 11 . 1 1 61 61 ILE H H 61 7.217 7.217 7.607 -0.391 25488 6073 1 11 . 1 1 62 62 MET N N 62 120.202 120.202 117.814 2.388 25488 6074 1 11 . 1 1 62 62 MET HA H 62 3.419 3.419 4.356 -0.937 25488 6075 1 11 . 1 1 62 62 MET H H 62 7.820 7.820 7.378 0.442 25488 6076 1 11 . 1 1 63 63 GLN N N 63 116.274 116.274 115.533 0.741 25488 6077 1 11 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.553 -0.312 25488 6078 1 11 . 1 1 63 63 GLN H H 63 7.442 7.442 7.778 -0.336 25488 6079 1 11 . 1 1 64 64 LYS N N 64 121.450 121.450 122.086 -0.636 25488 6080 1 11 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.501 -0.002 25488 6081 1 11 . 1 1 64 64 LYS H H 64 7.474 7.474 7.045 0.429 25488 6082 1 11 . 1 1 66 66 ARG N N 66 113.173 113.173 119.633 -6.460 25488 6083 1 11 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.363 0.076 25488 6084 1 11 . 1 1 66 66 ARG H H 66 8.151 8.151 7.730 0.421 25488 6085 1 11 . 1 1 67 67 CYS N N 67 121.794 121.794 118.727 3.067 25488 6086 1 11 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.640 -0.220 25488 6087 1 11 . 1 1 67 67 CYS H H 67 7.709 7.709 8.284 -0.575 25488 6088 1 11 . 1 1 68 68 GLY N N 68 116.255 116.255 111.519 4.736 25488 6089 1 11 . 1 1 68 68 GLY H H 68 9.707 9.707 8.444 1.263 25488 6090 1 11 . 1 1 69 69 VAL N N 69 126.541 126.541 114.379 12.162 25488 6091 1 11 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.562 -0.755 25488 6092 1 11 . 1 1 69 69 VAL H H 69 9.118 9.118 7.006 2.112 25488 6093 1 11 . 1 1 71 71 ASP N N 71 119.114 119.114 126.242 -7.128 25488 6094 1 11 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.692 -0.209 25488 6095 1 11 . 1 1 71 71 ASP H H 71 8.067 8.067 8.519 -0.452 25488 6096 1 11 . 1 1 72 72 VAL N N 72 112.988 112.988 119.163 -6.175 25488 6097 1 11 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.161 0.120 25488 6098 1 11 . 1 1 72 72 VAL H H 72 6.438 6.438 7.017 -0.579 25488 6099 1 11 . 1 1 73 73 ALA N N 73 125.902 125.902 125.800 0.102 25488 6100 1 11 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.355 -0.088 25488 6101 1 11 . 1 1 73 73 ALA H H 73 8.171 8.171 8.372 -0.201 25488 6102 1 11 . 1 1 74 74 GLU N N 74 120.835 120.835 124.250 -3.415 25488 6103 1 11 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.418 -0.335 25488 6104 1 11 . 1 1 74 74 GLU H H 74 8.385 8.385 7.850 0.535 25488 6105 1 11 . 1 1 75 75 TYR N N 75 121.820 121.820 120.153 1.667 25488 6106 1 11 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.267 0.127 25488 6107 1 11 . 1 1 75 75 TYR H H 75 8.102 8.102 8.884 -0.782 25488 6108 1 11 . 1 1 76 76 SER N N 76 117.881 117.881 114.365 3.516 25488 6109 1 11 . 1 1 76 76 SER H H 76 7.718 7.718 8.659 -0.941 25488 6110 1 11 . 1 1 77 77 LEU N N 77 123.835 123.835 122.877 0.958 25488 6111 1 11 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.551 -0.459 25488 6112 1 11 . 1 1 77 77 LEU H H 77 8.033 8.033 7.791 0.242 25488 6113 1 11 . 1 1 78 78 PHE N N 78 118.893 118.893 123.863 -4.970 25488 6114 1 11 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.558 0.287 25488 6115 1 11 . 1 1 78 78 PHE H H 78 7.822 7.822 8.412 -0.590 25488 6116 1 11 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.170 0.161 25488 6117 1 11 . 1 1 80 80 ASN N N 80 118.184 118.184 121.595 -3.411 25488 6118 1 11 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.627 0.053 25488 6119 1 11 . 1 1 80 80 ASN H H 80 8.106 8.106 8.153 -0.047 25488 6120 1 11 . 1 1 81 81 SER HA H 81 4.636 4.636 4.559 0.077 25488 6121 1 11 . 1 1 83 83 LYS N N 83 114.696 114.696 118.290 -3.594 25488 6122 1 11 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.738 -0.515 25488 6123 1 11 . 1 1 83 83 LYS H H 83 7.361 7.361 7.947 -0.586 25488 6124 1 11 . 1 1 84 84 TRP N N 84 122.459 122.459 122.040 0.419 25488 6125 1 11 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.755 -0.752 25488 6126 1 11 . 1 1 84 84 TRP H H 84 8.020 8.020 8.461 -0.441 25488 6127 1 11 . 1 1 85 85 THR N N 85 113.482 113.482 116.442 -2.960 25488 6128 1 11 . 1 1 85 85 THR HA H 85 4.586 4.586 4.307 0.279 25488 6129 1 11 . 1 1 85 85 THR H H 85 8.833 8.833 8.662 0.171 25488 6130 1 11 . 1 1 86 86 SER N N 86 117.316 117.316 114.707 2.609 25488 6131 1 11 . 1 1 86 86 SER HA H 86 4.665 4.665 4.589 0.076 25488 6132 1 11 . 1 1 86 86 SER H H 86 7.724 7.724 7.870 -0.146 25488 6133 1 11 . 1 1 87 87 LYS N N 87 120.411 120.411 125.143 -4.732 25488 6134 1 11 . 1 1 87 87 LYS HA H 87 4.139 4.139 3.946 0.193 25488 6135 1 11 . 1 1 87 87 LYS H H 87 8.312 8.312 8.678 -0.366 25488 6136 1 11 . 1 1 88 88 VAL N N 88 117.674 117.674 121.244 -3.570 25488 6137 1 11 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.296 0.355 25488 6138 1 11 . 1 1 88 88 VAL H H 88 7.425 7.425 7.165 0.260 25488 6139 1 11 . 1 1 89 89 VAL N N 89 131.493 131.493 128.448 3.045 25488 6140 1 11 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.567 -0.426 25488 6141 1 11 . 1 1 89 89 VAL H H 89 8.574 8.574 8.489 0.085 25488 6142 1 11 . 1 1 90 90 THR N N 90 118.245 118.245 114.773 3.472 25488 6143 1 11 . 1 1 90 90 THR HA H 90 5.627 5.627 5.457 0.170 25488 6144 1 11 . 1 1 90 90 THR H H 90 9.021 9.021 9.584 -0.563 25488 6145 1 11 . 1 1 91 91 TYR N N 91 118.267 118.267 118.843 -0.576 25488 6146 1 11 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.572 0.102 25488 6147 1 11 . 1 1 91 91 TYR H H 91 8.555 8.555 8.436 0.119 25488 6148 1 11 . 1 1 92 92 ARG N N 92 120.260 120.260 121.310 -1.050 25488 6149 1 11 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.033 -0.387 25488 6150 1 11 . 1 1 92 92 ARG H H 92 8.513 8.513 9.048 -0.535 25488 6151 1 11 . 1 1 93 93 ILE N N 93 128.361 128.361 126.970 1.391 25488 6152 1 11 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.704 -0.085 25488 6153 1 11 . 1 1 93 93 ILE H H 93 8.878 8.878 8.959 -0.081 25488 6154 1 11 . 1 1 94 94 VAL N N 94 126.374 126.374 127.557 -1.183 25488 6155 1 11 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.112 -0.112 25488 6156 1 11 . 1 1 94 94 VAL H H 94 9.492 9.492 8.995 0.497 25488 6157 1 11 . 1 1 95 95 SER N N 95 113.303 113.303 113.711 -0.408 25488 6158 1 11 . 1 1 95 95 SER HA H 95 4.705 4.705 4.857 -0.152 25488 6159 1 11 . 1 1 95 95 SER H H 95 7.431 7.431 7.692 -0.261 25488 6160 1 11 . 1 1 96 96 TYR N N 96 117.054 117.054 116.211 0.843 25488 6161 1 11 . 1 1 96 96 TYR H H 96 8.255 8.255 7.753 0.502 25488 6162 1 11 . 1 1 98 98 ARG N N 98 128.445 128.445 122.127 6.318 25488 6163 1 11 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.227 0.111 25488 6164 1 11 . 1 1 98 98 ARG H H 98 8.964 8.964 8.348 0.616 25488 6165 1 11 . 1 1 99 99 ASP N N 99 120.412 120.412 119.484 0.928 25488 6166 1 11 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.534 -0.199 25488 6167 1 11 . 1 1 99 99 ASP H H 99 8.695 8.695 8.541 0.154 25488 6168 1 11 . 1 1 100 100 LEU N N 100 116.851 116.851 120.180 -3.329 25488 6169 1 11 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.847 0.086 25488 6170 1 11 . 1 1 100 100 LEU H H 100 6.902 6.902 7.439 -0.537 25488 6171 1 11 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.876 0.291 25488 6172 1 11 . 1 1 103 103 ILE N N 103 115.469 115.469 113.526 1.943 25488 6173 1 11 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.585 0.588 25488 6174 1 11 . 1 1 103 103 ILE H H 103 8.296 8.296 7.944 0.352 25488 6175 1 11 . 1 1 104 104 THR N N 104 119.413 119.413 112.886 6.527 25488 6176 1 11 . 1 1 104 104 THR HA H 104 4.019 4.019 4.153 -0.134 25488 6177 1 11 . 1 1 104 104 THR H H 104 6.915 6.915 8.155 -1.240 25488 6178 1 11 . 1 1 105 105 VAL N N 105 123.232 123.232 120.583 2.649 25488 6179 1 11 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.532 -0.118 25488 6180 1 11 . 1 1 105 105 VAL H H 105 7.379 7.379 7.216 0.163 25488 6181 1 11 . 1 1 106 106 ASP N N 106 120.160 120.160 119.444 0.716 25488 6182 1 11 . 1 1 106 106 ASP H H 106 8.615 8.615 8.094 0.521 25488 6183 1 11 . 1 1 107 107 ARG N N 107 121.041 121.041 117.845 3.196 25488 6184 1 11 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.170 -0.080 25488 6185 1 11 . 1 1 107 107 ARG H H 107 8.372 8.372 7.569 0.803 25488 6186 1 11 . 1 1 108 108 LEU N N 108 121.644 121.644 118.582 3.062 25488 6187 1 11 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.279 -0.026 25488 6188 1 11 . 1 1 108 108 LEU H H 108 8.768 8.768 7.819 0.949 25488 6189 1 11 . 1 1 109 109 VAL N N 109 120.347 120.347 117.302 3.045 25488 6190 1 11 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.648 -0.277 25488 6191 1 11 . 1 1 109 109 VAL H H 109 8.762 8.762 7.692 1.070 25488 6192 1 11 . 1 1 110 110 SER N N 110 112.949 112.949 116.164 -3.215 25488 6193 1 11 . 1 1 110 110 SER HA H 110 4.270 4.270 4.036 0.234 25488 6194 1 11 . 1 1 110 110 SER H H 110 7.605 7.605 7.871 -0.266 25488 6195 1 11 . 1 1 111 111 LYS N N 111 122.434 122.434 122.191 0.243 25488 6196 1 11 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.082 -0.040 25488 6197 1 11 . 1 1 111 111 LYS H H 111 8.146 8.146 7.499 0.647 25488 6198 1 11 . 1 1 112 112 ALA N N 112 124.099 124.099 122.533 1.566 25488 6199 1 11 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.934 0.143 25488 6200 1 11 . 1 1 112 112 ALA H H 112 8.270 8.270 8.041 0.229 25488 6201 1 11 . 1 1 113 113 LEU N N 113 116.251 116.251 116.587 -0.336 25488 6202 1 11 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.968 -0.246 25488 6203 1 11 . 1 1 113 113 LEU H H 113 8.019 8.019 8.086 -0.067 25488 6204 1 11 . 1 1 114 114 ASN N N 114 116.659 116.659 116.406 0.253 25488 6205 1 11 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.579 -0.050 25488 6206 1 11 . 1 1 114 114 ASN H H 114 8.197 8.197 7.540 0.657 25488 6207 1 11 . 1 1 115 115 MET N N 115 122.118 122.118 119.271 2.847 25488 6208 1 11 . 1 1 115 115 MET HA H 115 4.013 4.013 4.160 -0.147 25488 6209 1 11 . 1 1 115 115 MET H H 115 7.918 7.918 7.351 0.567 25488 6210 1 11 . 1 1 116 116 TRP N N 116 117.117 117.117 117.089 0.028 25488 6211 1 11 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.698 -0.188 25488 6212 1 11 . 1 1 116 116 TRP H H 116 6.773 6.773 7.280 -0.507 25488 6213 1 11 . 1 1 117 117 GLY N N 117 104.656 104.656 105.746 -1.090 25488 6214 1 11 . 1 1 117 117 GLY H H 117 9.305 9.305 8.328 0.977 25488 6215 1 11 . 1 1 118 118 LYS N N 118 118.567 118.567 118.902 -0.335 25488 6216 1 11 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.364 -0.187 25488 6217 1 11 . 1 1 118 118 LYS H H 118 7.947 7.947 7.569 0.378 25488 6218 1 11 . 1 1 119 119 GLU N N 119 113.899 113.899 118.764 -4.865 25488 6219 1 11 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.376 0.432 25488 6220 1 11 . 1 1 119 119 GLU H H 119 7.773 7.773 8.177 -0.404 25488 6221 1 11 . 1 1 120 120 ILE N N 120 111.215 111.215 119.029 -7.814 25488 6222 1 11 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.880 0.441 25488 6223 1 11 . 1 1 120 120 ILE H H 120 7.528 7.528 7.608 -0.080 25488 6224 1 11 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.499 0.122 25488 6225 1 11 . 1 1 122 122 LEU N N 122 121.481 121.481 122.504 -1.023 25488 6226 1 11 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.159 0.133 25488 6227 1 11 . 1 1 122 122 LEU H H 122 6.815 6.815 8.077 -1.262 25488 6228 1 11 . 1 1 123 123 HIS N N 123 120.769 120.769 124.414 -3.645 25488 6229 1 11 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.567 0.025 25488 6230 1 11 . 1 1 123 123 HIS H H 123 7.709 7.709 8.661 -0.952 25488 6231 1 11 . 1 1 124 124 PHE N N 124 120.530 120.530 122.534 -2.004 25488 6232 1 11 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.681 0.131 25488 6233 1 11 . 1 1 124 124 PHE H H 124 8.306 8.306 8.711 -0.405 25488 6234 1 11 . 1 1 125 125 ARG N N 125 123.891 123.891 124.066 -0.175 25488 6235 1 11 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.734 -0.081 25488 6236 1 11 . 1 1 125 125 ARG H H 125 8.408 8.408 9.015 -0.608 25488 6237 1 11 . 1 1 126 126 LYS N N 126 130.178 130.178 125.824 4.354 25488 6238 1 11 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.799 -0.438 25488 6239 1 11 . 1 1 126 126 LYS H H 126 8.468 8.468 8.321 0.147 25488 6240 1 11 . 1 1 127 127 VAL N N 127 125.180 125.180 124.352 0.828 25488 6241 1 11 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.210 0.298 25488 6242 1 11 . 1 1 127 127 VAL H H 127 8.679 8.679 8.304 0.375 25488 6243 1 11 . 1 1 128 128 VAL N N 128 117.584 117.584 120.346 -2.762 25488 6244 1 11 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.494 -0.208 25488 6245 1 11 . 1 1 128 128 VAL H H 128 8.469 8.469 8.229 0.240 25488 6246 1 11 . 1 1 129 129 TRP N N 129 119.805 119.805 119.718 0.087 25488 6247 1 11 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.939 -0.253 25488 6248 1 11 . 1 1 129 129 TRP H H 129 7.447 7.447 7.370 0.077 25488 6249 1 11 . 1 1 130 130 GLY N N 130 109.844 109.844 111.455 -1.611 25488 6250 1 11 . 1 1 130 130 GLY H H 130 8.072 8.072 8.336 -0.264 25488 6251 1 11 . 1 1 131 131 THR N N 131 116.125 116.125 113.102 3.023 25488 6252 1 11 . 1 1 131 131 THR HA H 131 4.123 4.123 4.361 -0.238 25488 6253 1 11 . 1 1 131 131 THR H H 131 8.196 8.196 8.234 -0.038 25488 6254 1 11 . 1 1 132 132 ALA N N 132 129.613 129.613 128.415 1.198 25488 6255 1 11 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.509 0.002 25488 6256 1 11 . 1 1 132 132 ALA H H 132 7.919 7.919 8.223 -0.304 25488 6257 1 11 . 1 1 133 133 ASP N N 133 123.004 123.004 121.426 1.578 25488 6258 1 11 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.690 -0.248 25488 6259 1 11 . 1 1 133 133 ASP H H 133 8.248 8.248 8.593 -0.345 25488 6260 1 11 . 1 1 134 134 ILE N N 134 125.478 125.478 122.276 3.202 25488 6261 1 11 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.528 -0.435 25488 6262 1 11 . 1 1 134 134 ILE H H 134 8.804 8.804 8.439 0.365 25488 6263 1 11 . 1 1 135 135 MET N N 135 127.471 127.471 127.895 -0.424 25488 6264 1 11 . 1 1 135 135 MET HA H 135 5.194 5.194 5.166 0.028 25488 6265 1 11 . 1 1 135 135 MET H H 135 7.437 7.437 9.329 -1.892 25488 6266 1 11 . 1 1 136 136 ILE N N 136 125.040 125.040 125.008 0.032 25488 6267 1 11 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.927 0.650 25488 6268 1 11 . 1 1 136 136 ILE H H 136 9.085 9.085 9.122 -0.037 25488 6269 1 11 . 1 1 137 137 GLY N N 137 112.059 112.059 113.900 -1.841 25488 6270 1 11 . 1 1 137 137 GLY H H 137 8.568 8.568 8.933 -0.365 25488 6271 1 11 . 1 1 138 138 PHE N N 138 119.447 119.447 120.473 -1.026 25488 6272 1 11 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.656 -0.202 25488 6273 1 11 . 1 1 138 138 PHE H H 138 7.861 7.861 8.596 -0.735 25488 6274 1 11 . 1 1 139 139 ALA N N 139 123.657 123.657 124.319 -0.662 25488 6275 1 11 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.708 0.027 25488 6276 1 11 . 1 1 139 139 ALA H H 139 8.939 8.939 9.167 -0.228 25488 6277 1 11 . 1 1 140 140 ARG N N 140 118.688 118.688 119.702 -1.014 25488 6278 1 11 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.849 0.225 25488 6279 1 11 . 1 1 140 140 ARG H H 140 8.563 8.563 8.685 -0.122 25488 6280 1 11 . 1 1 141 141 GLY N N 141 108.964 108.964 108.595 0.369 25488 6281 1 11 . 1 1 141 141 GLY H H 141 9.018 9.018 9.179 -0.161 25488 6282 1 11 . 1 1 143 143 HIS N N 143 120.218 120.218 114.300 5.918 25488 6283 1 11 . 1 1 143 143 HIS H H 143 8.998 8.998 7.922 1.076 25488 6284 1 11 . 1 1 145 145 ASP N N 145 117.684 117.684 120.480 -2.796 25488 6285 1 11 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.779 -0.079 25488 6286 1 11 . 1 1 145 145 ASP H H 145 7.088 7.088 7.746 -0.658 25488 6287 1 11 . 1 1 146 146 SER HA H 146 4.140 4.140 4.062 0.078 25488 6288 1 11 . 1 1 146 146 SER H H 146 8.220 8.220 8.460 -0.240 25488 6289 1 11 . 1 1 147 147 TYR N N 147 120.867 120.867 115.679 5.188 25488 6290 1 11 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.235 0.553 25488 6291 1 11 . 1 1 147 147 TYR H H 147 7.459 7.459 8.087 -0.628 25488 6292 1 11 . 1 1 149 149 PHE N N 149 120.630 120.630 119.789 0.841 25488 6293 1 11 . 1 1 149 149 PHE H H 149 8.018 8.018 8.323 -0.305 25488 6294 1 11 . 1 1 150 150 ASP N N 150 115.626 115.626 118.002 -2.376 25488 6295 1 11 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.027 0.816 25488 6296 1 11 . 1 1 150 150 ASP H H 150 7.543 7.543 7.490 0.053 25488 6297 1 11 . 1 1 151 151 GLY N N 151 110.700 110.700 110.143 0.557 25488 6298 1 11 . 1 1 151 151 GLY H H 151 9.074 9.074 8.178 0.896 25488 6299 1 11 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.245 -0.219 25488 6300 1 11 . 1 1 153 153 GLY N N 153 118.786 118.786 113.916 4.870 25488 6301 1 11 . 1 1 153 153 GLY H H 153 11.385 11.385 8.841 2.544 25488 6302 1 11 . 1 1 154 154 ASN N N 154 120.613 120.613 119.084 1.529 25488 6303 1 11 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.287 -0.089 25488 6304 1 11 . 1 1 154 154 ASN H H 154 9.225 9.225 8.243 0.982 25488 6305 1 11 . 1 1 155 155 THR N N 155 118.700 118.700 113.557 5.143 25488 6306 1 11 . 1 1 155 155 THR HA H 155 5.542 5.542 4.344 1.198 25488 6307 1 11 . 1 1 155 155 THR H H 155 9.519 9.519 8.283 1.236 25488 6308 1 11 . 1 1 156 156 LEU N N 156 122.765 122.765 117.627 5.138 25488 6309 1 11 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.115 -0.173 25488 6310 1 11 . 1 1 156 156 LEU H H 156 8.500 8.500 8.229 0.271 25488 6311 1 11 . 1 1 157 157 ALA N N 157 115.545 115.545 118.670 -3.125 25488 6312 1 11 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.643 0.364 25488 6313 1 11 . 1 1 157 157 ALA H H 157 7.545 7.545 7.495 0.050 25488 6314 1 11 . 1 1 158 158 HIS N N 158 111.868 111.868 115.957 -4.089 25488 6315 1 11 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.767 -0.150 25488 6316 1 11 . 1 1 158 158 HIS H H 158 8.774 8.774 8.516 0.258 25488 6317 1 11 . 1 1 159 159 ALA N N 159 118.565 118.565 125.648 -7.083 25488 6318 1 11 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.835 -0.178 25488 6319 1 11 . 1 1 159 159 ALA H H 159 6.114 6.114 8.099 -1.985 25488 6320 1 11 . 1 1 160 160 PHE N N 160 118.042 118.042 121.282 -3.240 25488 6321 1 11 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.794 -0.313 25488 6322 1 11 . 1 1 160 160 PHE H H 160 7.897 7.897 8.489 -0.592 25488 6323 1 11 . 1 1 161 161 ALA N N 161 123.548 123.548 125.397 -1.849 25488 6324 1 11 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.469 0.014 25488 6325 1 11 . 1 1 161 161 ALA H H 161 8.089 8.089 8.592 -0.503 25488 6326 1 11 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.610 -0.739 25488 6327 1 11 . 1 1 163 163 GLY N N 163 107.255 107.255 107.710 -0.455 25488 6328 1 11 . 1 1 163 163 GLY H H 163 5.992 5.992 6.949 -0.957 25488 6329 1 11 . 1 1 165 165 GLY H H 165 9.149 9.149 8.591 0.558 25488 6330 1 11 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.166 -0.013 25488 6331 1 11 . 1 1 167 167 GLY N N 167 103.338 103.338 103.776 -0.438 25488 6332 1 11 . 1 1 167 167 GLY H H 167 7.774 7.774 7.225 0.549 25488 6333 1 11 . 1 1 168 168 GLY N N 168 121.031 121.031 109.512 11.519 25488 6334 1 11 . 1 1 168 168 GLY H H 168 7.685 7.685 8.224 -0.539 25488 6335 1 11 . 1 1 169 169 ASP N N 169 123.703 123.703 121.382 2.321 25488 6336 1 11 . 1 1 169 169 ASP H H 169 8.578 8.578 7.871 0.707 25488 6337 1 11 . 1 1 170 170 ALA N N 170 119.569 119.569 121.079 -1.510 25488 6338 1 11 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.776 -0.072 25488 6339 1 11 . 1 1 170 170 ALA H H 170 8.371 8.371 8.793 -0.422 25488 6340 1 11 . 1 1 171 171 HIS N N 171 120.286 120.286 121.899 -1.613 25488 6341 1 11 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.211 0.519 25488 6342 1 11 . 1 1 171 171 HIS H H 171 8.513 8.513 8.665 -0.152 25488 6343 1 11 . 1 1 172 172 PHE N N 172 120.919 120.919 122.727 -1.808 25488 6344 1 11 . 1 1 172 172 PHE H H 172 8.457 8.457 9.198 -0.741 25488 6345 1 11 . 1 1 173 173 ASP N N 173 123.993 123.993 122.479 1.514 25488 6346 1 11 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.123 -1.227 25488 6347 1 11 . 1 1 173 173 ASP H H 173 7.915 7.915 9.243 -1.328 25488 6348 1 11 . 1 1 174 174 GLU N N 174 132.684 132.684 127.243 5.441 25488 6349 1 11 . 1 1 174 174 GLU H H 174 9.461 9.461 9.156 0.305 25488 6350 1 11 . 1 1 175 175 ASP N N 175 117.313 117.313 118.530 -1.217 25488 6351 1 11 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.787 0.010 25488 6352 1 11 . 1 1 175 175 ASP H H 175 8.756 8.756 8.182 0.574 25488 6353 1 11 . 1 1 176 176 GLU N N 176 116.511 116.511 119.604 -3.093 25488 6354 1 11 . 1 1 176 176 GLU H H 176 7.154 7.154 7.638 -0.484 25488 6355 1 11 . 1 1 177 177 ARG N N 177 121.920 121.920 123.467 -1.547 25488 6356 1 11 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.383 0.242 25488 6357 1 11 . 1 1 177 177 ARG H H 177 7.555 7.555 8.244 -0.689 25488 6358 1 11 . 1 1 178 178 TRP N N 178 129.182 129.182 125.922 3.260 25488 6359 1 11 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.776 -0.663 25488 6360 1 11 . 1 1 178 178 TRP H H 178 8.788 8.788 8.604 0.184 25488 6361 1 11 . 1 1 179 179 THR N N 179 112.874 112.874 114.107 -1.233 25488 6362 1 11 . 1 1 179 179 THR HA H 179 5.015 5.015 4.666 0.349 25488 6363 1 11 . 1 1 179 179 THR H H 179 8.946 8.946 8.481 0.465 25488 6364 1 11 . 1 1 180 180 ASP N N 180 121.969 121.969 122.484 -0.515 25488 6365 1 11 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.896 -0.474 25488 6366 1 11 . 1 1 180 180 ASP H H 180 8.478 8.478 8.377 0.101 25488 6367 1 11 . 1 1 181 181 GLY N N 181 110.059 110.059 108.078 1.981 25488 6368 1 11 . 1 1 181 181 GLY H H 181 8.572 8.572 8.211 0.361 25488 6369 1 11 . 1 1 182 182 SER N N 182 115.564 115.564 114.944 0.620 25488 6370 1 11 . 1 1 182 182 SER HA H 182 4.599 4.599 4.450 0.149 25488 6371 1 11 . 1 1 182 182 SER H H 182 8.173 8.173 7.758 0.415 25488 6372 1 11 . 1 1 183 183 SER N N 183 117.066 117.066 115.603 1.463 25488 6373 1 11 . 1 1 183 183 SER H H 183 7.819 7.819 8.274 -0.455 25488 6374 1 11 . 1 1 184 184 LEU N N 184 121.954 121.954 118.700 3.254 25488 6375 1 11 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.540 -0.178 25488 6376 1 11 . 1 1 184 184 LEU H H 184 8.104 8.104 7.280 0.824 25488 6377 1 11 . 1 1 185 185 GLY N N 185 108.989 108.989 106.760 2.229 25488 6378 1 11 . 1 1 185 185 GLY H H 185 7.954 7.954 7.203 0.751 25488 6379 1 11 . 1 1 186 186 ILE N N 186 123.084 123.084 120.649 2.435 25488 6380 1 11 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.086 -0.307 25488 6381 1 11 . 1 1 186 186 ILE H H 186 8.878 8.878 8.531 0.347 25488 6382 1 11 . 1 1 187 187 ASN N N 187 126.999 126.999 125.743 1.256 25488 6383 1 11 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.874 -0.478 25488 6384 1 11 . 1 1 187 187 ASN H H 187 8.575 8.575 8.940 -0.365 25488 6385 1 11 . 1 1 188 188 PHE N N 188 129.819 129.819 128.781 1.038 25488 6386 1 11 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.610 -0.019 25488 6387 1 11 . 1 1 188 188 PHE H H 188 9.365 9.365 8.532 0.833 25488 6388 1 11 . 1 1 189 189 LEU N N 189 119.292 119.292 123.181 -3.889 25488 6389 1 11 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.757 0.076 25488 6390 1 11 . 1 1 189 189 LEU H H 189 8.551 8.551 8.012 0.539 25488 6391 1 11 . 1 1 191 191 ALA N N 191 120.347 120.347 122.199 -1.852 25488 6392 1 11 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.907 0.390 25488 6393 1 11 . 1 1 191 191 ALA H H 191 7.973 7.973 8.248 -0.275 25488 6394 1 11 . 1 1 192 192 ALA N N 192 121.365 121.365 119.996 1.369 25488 6395 1 11 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.113 -0.096 25488 6396 1 11 . 1 1 192 192 ALA H H 192 9.258 9.258 8.188 1.070 25488 6397 1 11 . 1 1 193 193 THR N N 193 117.027 117.027 114.085 2.942 25488 6398 1 11 . 1 1 193 193 THR HA H 193 3.825 3.825 4.107 -0.282 25488 6399 1 11 . 1 1 193 193 THR H H 193 8.209 8.209 8.091 0.118 25488 6400 1 11 . 1 1 194 194 HIS N N 194 120.231 120.231 120.798 -0.567 25488 6401 1 11 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.559 -0.326 25488 6402 1 11 . 1 1 194 194 HIS H H 194 7.805 7.805 7.731 0.074 25488 6403 1 11 . 1 1 195 195 ALA N N 195 121.346 121.346 122.379 -1.033 25488 6404 1 11 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.288 -0.108 25488 6405 1 11 . 1 1 195 195 ALA H H 195 8.693 8.693 8.081 0.612 25488 6406 1 11 . 1 1 196 196 LEU N N 196 114.951 114.951 116.942 -1.991 25488 6407 1 11 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.423 -0.265 25488 6408 1 11 . 1 1 196 196 LEU H H 196 8.714 8.714 8.400 0.314 25488 6409 1 11 . 1 1 197 197 GLY N N 197 107.954 107.954 108.592 -0.638 25488 6410 1 11 . 1 1 197 197 GLY H H 197 7.540 7.540 8.188 -0.648 25488 6411 1 11 . 1 1 198 198 HIS N N 198 121.996 121.996 120.585 1.411 25488 6412 1 11 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.344 0.465 25488 6413 1 11 . 1 1 198 198 HIS H H 198 7.205 7.205 7.747 -0.542 25488 6414 1 11 . 1 1 199 199 SER N N 199 118.570 118.570 113.749 4.821 25488 6415 1 11 . 1 1 199 199 SER HA H 199 4.448 4.448 4.635 -0.187 25488 6416 1 11 . 1 1 199 199 SER H H 199 7.886 7.886 7.971 -0.085 25488 6417 1 11 . 1 1 200 200 LEU N N 200 114.779 114.779 117.686 -2.907 25488 6418 1 11 . 1 1 200 200 LEU H H 200 7.106 7.106 7.330 -0.224 25488 6419 1 11 . 1 1 201 201 GLY N N 201 108.350 108.350 104.769 3.581 25488 6420 1 11 . 1 1 201 201 GLY H H 201 8.213 8.213 7.481 0.732 25488 6421 1 11 . 1 1 202 202 MET N N 202 119.623 119.623 120.036 -0.413 25488 6422 1 11 . 1 1 202 202 MET HA H 202 4.484 4.484 4.519 -0.035 25488 6423 1 11 . 1 1 202 202 MET H H 202 8.189 8.189 7.792 0.397 25488 6424 1 11 . 1 1 203 203 GLY N N 203 109.770 109.770 107.847 1.923 25488 6425 1 11 . 1 1 203 203 GLY H H 203 8.413 8.413 8.366 0.047 25488 6426 1 11 . 1 1 204 204 HIS N N 204 115.793 115.793 117.150 -1.357 25488 6427 1 11 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.688 0.686 25488 6428 1 11 . 1 1 204 204 HIS H H 204 8.383 8.383 8.421 -0.038 25488 6429 1 11 . 1 1 205 205 SER N N 205 115.497 115.497 113.714 1.783 25488 6430 1 11 . 1 1 205 205 SER HA H 205 4.721 4.721 4.771 -0.050 25488 6431 1 11 . 1 1 205 205 SER H H 205 7.223 7.223 8.539 -1.316 25488 6432 1 11 . 1 1 206 206 SER N N 206 119.268 119.268 118.070 1.198 25488 6433 1 11 . 1 1 206 206 SER HA H 206 3.721 3.721 4.621 -0.900 25488 6434 1 11 . 1 1 206 206 SER H H 206 8.290 8.290 8.646 -0.356 25488 6435 1 11 . 1 1 207 207 ASP N N 207 126.656 126.656 122.961 3.695 25488 6436 1 11 . 1 1 207 207 ASP H H 207 8.541 8.541 7.828 0.713 25488 6437 1 11 . 1 1 209 209 ASN N N 209 115.911 115.911 116.545 -0.634 25488 6438 1 11 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.707 -0.091 25488 6439 1 11 . 1 1 209 209 ASN H H 209 8.374 8.374 7.922 0.452 25488 6440 1 11 . 1 1 210 210 ALA N N 210 124.929 124.929 123.093 1.836 25488 6441 1 11 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.452 -0.298 25488 6442 1 11 . 1 1 210 210 ALA H H 210 8.182 8.182 7.164 1.018 25488 6443 1 11 . 1 1 211 211 VAL N N 211 130.383 130.383 120.778 9.605 25488 6444 1 11 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.694 0.556 25488 6445 1 11 . 1 1 211 211 VAL H H 211 11.554 11.554 8.665 2.889 25488 6446 1 11 . 1 1 212 212 MET N N 212 113.319 113.319 114.760 -1.441 25488 6447 1 11 . 1 1 212 212 MET H H 212 7.741 7.741 7.987 -0.246 25488 6448 1 11 . 1 1 213 213 TYR N N 213 130.006 130.006 122.822 7.184 25488 6449 1 11 . 1 1 213 213 TYR H H 213 7.899 7.899 7.638 0.261 25488 6450 1 11 . 1 1 215 215 THR N N 215 104.747 104.747 110.281 -5.534 25488 6451 1 11 . 1 1 215 215 THR HA H 215 4.404 4.404 4.336 0.068 25488 6452 1 11 . 1 1 215 215 THR H H 215 6.402 6.402 7.561 -1.159 25488 6453 1 11 . 1 1 216 216 TYR N N 216 124.699 124.699 124.686 0.013 25488 6454 1 11 . 1 1 216 216 TYR H H 216 8.341 8.341 7.859 0.482 25488 6455 1 11 . 1 1 217 217 GLY N N 217 116.288 116.288 112.918 3.370 25488 6456 1 11 . 1 1 217 217 GLY H H 217 7.685 7.685 8.313 -0.628 25488 6457 1 11 . 1 1 218 218 ASN N N 218 119.920 119.920 115.900 4.020 25488 6458 1 11 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.944 -0.324 25488 6459 1 11 . 1 1 218 218 ASN H H 218 8.221 8.221 8.582 -0.361 25488 6460 1 11 . 1 1 219 219 GLY N N 219 109.601 109.601 107.543 2.058 25488 6461 1 11 . 1 1 219 219 GLY H H 219 8.072 8.072 7.816 0.256 25488 6462 1 11 . 1 1 220 220 ASP N N 220 123.006 123.006 121.483 1.523 25488 6463 1 11 . 1 1 220 220 ASP H H 220 8.280 8.280 8.289 -0.009 25488 6464 1 11 . 1 1 222 222 GLN N N 222 116.642 116.642 121.084 -4.442 25488 6465 1 11 . 1 1 222 222 GLN H H 222 8.215 8.215 8.494 -0.279 25488 6466 1 11 . 1 1 223 223 ASN N N 223 118.361 118.361 118.081 0.280 25488 6467 1 11 . 1 1 223 223 ASN H H 223 7.970 7.970 8.070 -0.100 25488 6468 1 11 . 1 1 225 225 LYS N N 225 122.215 122.215 126.810 -4.595 25488 6469 1 11 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.324 0.092 25488 6470 1 11 . 1 1 225 225 LYS H H 225 7.656 7.656 7.592 0.064 25488 6471 1 11 . 1 1 226 226 LEU N N 226 119.165 119.165 121.258 -2.093 25488 6472 1 11 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.409 -0.321 25488 6473 1 11 . 1 1 226 226 LEU H H 226 7.984 7.984 8.247 -0.263 25488 6474 1 11 . 1 1 227 227 SER N N 227 120.520 120.520 115.405 5.115 25488 6475 1 11 . 1 1 227 227 SER HA H 227 4.676 4.676 4.439 0.237 25488 6476 1 11 . 1 1 227 227 SER H H 227 9.646 9.646 8.529 1.117 25488 6477 1 11 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.157 0.517 25488 6478 1 11 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.437 -0.063 25488 6479 1 11 . 1 1 229 229 ASP H H 229 8.113 8.113 7.999 0.114 25488 6480 1 11 . 1 1 230 230 ASP N N 230 119.878 119.878 118.895 0.983 25488 6481 1 11 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.464 -0.126 25488 6482 1 11 . 1 1 230 230 ASP H H 230 7.397 7.397 7.662 -0.265 25488 6483 1 11 . 1 1 231 231 ILE N N 231 120.389 120.389 119.092 1.297 25488 6484 1 11 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.860 -0.205 25488 6485 1 11 . 1 1 231 231 ILE H H 231 8.100 8.100 7.367 0.733 25488 6486 1 11 . 1 1 232 232 LYS N N 232 119.084 119.084 120.298 -1.214 25488 6487 1 11 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.070 0.025 25488 6488 1 11 . 1 1 232 232 LYS H H 232 8.581 8.581 7.672 0.909 25488 6489 1 11 . 1 1 233 233 GLY N N 233 106.424 106.424 106.986 -0.562 25488 6490 1 11 . 1 1 233 233 GLY H H 233 8.061 8.061 7.564 0.497 25488 6491 1 11 . 1 1 234 234 ILE N N 234 125.166 125.166 120.725 4.441 25488 6492 1 11 . 1 1 234 234 ILE H H 234 8.517 8.517 7.624 0.893 25488 6493 1 11 . 1 1 235 235 GLN N N 235 122.969 122.969 119.445 3.524 25488 6494 1 11 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.078 0.303 25488 6495 1 11 . 1 1 235 235 GLN H H 235 8.291 8.291 7.853 0.438 25488 6496 1 11 . 1 1 236 236 LYS N N 236 123.770 123.770 117.051 6.719 25488 6497 1 11 . 1 1 236 236 LYS H H 236 8.035 8.035 8.011 0.024 25488 6498 1 11 . 1 1 237 237 LEU N N 237 116.854 116.854 117.356 -0.502 25488 6499 1 11 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.011 -0.052 25488 6500 1 11 . 1 1 237 237 LEU H H 237 6.886 6.886 7.361 -0.475 25488 6501 1 11 . 1 1 238 238 TYR N N 238 112.132 112.132 114.441 -2.309 25488 6502 1 11 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.618 0.008 25488 6503 1 11 . 1 1 238 238 TYR H H 238 7.459 7.459 7.691 -0.232 25488 6504 1 11 . 1 1 239 239 GLY N N 239 110.898 110.898 107.181 3.717 25488 6505 1 11 . 1 1 239 239 GLY H H 239 8.442 8.442 8.019 0.423 25488 6506 1 11 . 1 1 240 240 LYS N N 240 114.400 114.400 120.629 -6.229 25488 6507 1 11 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.425 0.379 25488 6508 1 11 . 1 1 240 240 LYS H H 240 7.865 7.865 8.445 -0.580 25488 6509 1 11 . 1 1 241 241 ARG N N 241 123.851 123.851 124.028 -0.177 25488 6510 1 11 . 1 1 241 241 ARG H H 241 7.760 7.760 8.510 -0.750 25488 6511 1 11 . 1 1 242 242 SER N N 242 135.647 135.647 115.515 20.132 25488 6512 1 11 . 1 1 242 242 SER H H 242 9.158 9.158 8.644 0.514 25488 6513 1 12 . 1 1 3 3 GLU N N 3 121.690 121.690 122.985 -1.295 25488 6514 1 12 . 1 1 3 3 GLU H H 3 8.332 8.332 8.757 -0.425 25488 6515 1 12 . 1 1 4 4 ALA N N 4 124.526 124.526 120.611 3.915 25488 6516 1 12 . 1 1 4 4 ALA H H 4 8.111 8.111 8.212 -0.101 25488 6517 1 12 . 1 1 5 5 GLY N N 5 108.229 108.229 106.202 2.027 25488 6518 1 12 . 1 1 5 5 GLY H H 5 8.286 8.286 8.124 0.162 25488 6519 1 12 . 1 1 6 6 GLY N N 6 108.867 108.867 107.674 1.193 25488 6520 1 12 . 1 1 6 6 GLY H H 6 8.239 8.239 7.694 0.545 25488 6521 1 12 . 1 1 7 7 MET N N 7 119.984 119.984 120.983 -0.999 25488 6522 1 12 . 1 1 7 7 MET H H 7 8.044 8.044 7.618 0.426 25488 6523 1 12 . 1 1 8 8 SER N N 8 118.771 118.771 116.849 1.922 25488 6524 1 12 . 1 1 8 8 SER HA H 8 4.239 4.239 4.615 -0.376 25488 6525 1 12 . 1 1 8 8 SER H H 8 8.738 8.738 8.242 0.496 25488 6526 1 12 . 1 1 9 9 GLU N N 9 122.551 122.551 122.075 0.476 25488 6527 1 12 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.161 0.091 25488 6528 1 12 . 1 1 9 9 GLU H H 9 8.919 8.919 9.060 -0.141 25488 6529 1 12 . 1 1 10 10 LEU N N 10 120.638 120.638 119.118 1.520 25488 6530 1 12 . 1 1 10 10 LEU H H 10 8.017 8.017 7.926 0.091 25488 6531 1 12 . 1 1 11 11 GLN N N 11 119.889 119.889 117.820 2.069 25488 6532 1 12 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.064 0.070 25488 6533 1 12 . 1 1 11 11 GLN H H 11 7.807 7.807 8.285 -0.478 25488 6534 1 12 . 1 1 12 12 TRP N N 12 120.951 120.951 122.562 -1.611 25488 6535 1 12 . 1 1 12 12 TRP H H 12 8.202 8.202 7.696 0.506 25488 6536 1 12 . 1 1 13 13 GLU N N 13 121.870 121.870 116.673 5.197 25488 6537 1 12 . 1 1 13 13 GLU H H 13 8.436 8.436 7.976 0.460 25488 6538 1 12 . 1 1 14 14 GLN N N 14 120.646 120.646 118.909 1.737 25488 6539 1 12 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.116 0.053 25488 6540 1 12 . 1 1 14 14 GLN H H 14 8.159 8.159 7.481 0.678 25488 6541 1 12 . 1 1 15 15 ALA N N 15 123.216 123.216 122.932 0.284 25488 6542 1 12 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.247 0.091 25488 6543 1 12 . 1 1 15 15 ALA H H 15 8.355 8.355 7.726 0.629 25488 6544 1 12 . 1 1 16 16 GLN N N 16 117.766 117.766 116.446 1.320 25488 6545 1 12 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.926 -0.221 25488 6546 1 12 . 1 1 16 16 GLN H H 16 8.440 8.440 7.654 0.786 25488 6547 1 12 . 1 1 17 17 ASP N N 17 120.090 120.090 120.369 -0.279 25488 6548 1 12 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.362 0.101 25488 6549 1 12 . 1 1 17 17 ASP H H 17 7.899 7.899 7.447 0.452 25488 6550 1 12 . 1 1 18 18 TYR N N 18 122.296 122.296 120.523 1.773 25488 6551 1 12 . 1 1 18 18 TYR H H 18 8.264 8.264 7.788 0.476 25488 6552 1 12 . 1 1 19 19 LEU N N 19 117.675 117.675 119.864 -2.189 25488 6553 1 12 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.231 0.894 25488 6554 1 12 . 1 1 19 19 LEU H H 19 8.687 8.687 8.121 0.566 25488 6555 1 12 . 1 1 20 20 LYS N N 20 124.620 124.620 117.841 6.779 25488 6556 1 12 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.929 0.214 25488 6557 1 12 . 1 1 20 20 LYS H H 20 8.790 8.790 7.416 1.374 25488 6558 1 12 . 1 1 21 21 ARG N N 21 117.608 117.608 117.041 0.567 25488 6559 1 12 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.830 -0.133 25488 6560 1 12 . 1 1 21 21 ARG H H 21 7.835 7.835 7.178 0.657 25488 6561 1 12 . 1 1 22 22 PHE N N 22 112.136 112.136 116.342 -4.206 25488 6562 1 12 . 1 1 22 22 PHE H H 22 8.003 8.003 7.090 0.913 25488 6563 1 12 . 1 1 23 23 TYR N N 23 116.244 116.244 116.305 -0.061 25488 6564 1 12 . 1 1 23 23 TYR H H 23 7.678 7.678 7.628 0.050 25488 6565 1 12 . 1 1 24 24 LEU N N 24 115.582 115.582 117.224 -1.642 25488 6566 1 12 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.068 0.067 25488 6567 1 12 . 1 1 24 24 LEU H H 24 7.238 7.238 8.102 -0.864 25488 6568 1 12 . 1 1 25 25 TYR N N 25 119.996 119.996 118.815 1.181 25488 6569 1 12 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.668 -0.263 25488 6570 1 12 . 1 1 25 25 TYR H H 25 7.826 7.826 7.474 0.352 25488 6571 1 12 . 1 1 26 26 ASP N N 26 129.292 129.292 125.151 4.141 25488 6572 1 12 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.795 -0.334 25488 6573 1 12 . 1 1 26 26 ASP H H 26 8.121 8.121 7.783 0.338 25488 6574 1 12 . 1 1 28 28 GLU N N 28 122.115 122.115 121.704 0.411 25488 6575 1 12 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.132 0.149 25488 6576 1 12 . 1 1 28 28 GLU H H 28 8.262 8.262 8.409 -0.147 25488 6577 1 12 . 1 1 29 29 THR N N 29 114.171 114.171 111.615 2.556 25488 6578 1 12 . 1 1 29 29 THR HA H 29 4.222 4.222 4.098 0.124 25488 6579 1 12 . 1 1 29 29 THR H H 29 7.496 7.496 7.372 0.124 25488 6580 1 12 . 1 1 30 30 LYS N N 30 123.019 123.019 121.859 1.160 25488 6581 1 12 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.136 0.082 25488 6582 1 12 . 1 1 30 30 LYS H H 30 8.154 8.154 7.099 1.055 25488 6583 1 12 . 1 1 32 32 ALA N N 32 126.481 126.481 127.319 -0.838 25488 6584 1 12 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.918 0.332 25488 6585 1 12 . 1 1 32 32 ALA H H 32 8.424 8.424 8.696 -0.272 25488 6586 1 12 . 1 1 33 33 ASN N N 33 116.834 116.834 114.555 2.279 25488 6587 1 12 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.691 0.007 25488 6588 1 12 . 1 1 33 33 ASN H H 33 8.312 8.312 8.444 -0.132 25488 6589 1 12 . 1 1 34 34 SER N N 34 116.960 116.960 116.697 0.263 25488 6590 1 12 . 1 1 34 34 SER HA H 34 4.522 4.522 4.336 0.186 25488 6591 1 12 . 1 1 34 34 SER H H 34 8.112 8.112 7.995 0.117 25488 6592 1 12 . 1 1 35 35 LEU N N 35 125.335 125.335 123.160 2.175 25488 6593 1 12 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.052 -0.501 25488 6594 1 12 . 1 1 35 35 LEU H H 35 8.324 8.324 8.700 -0.376 25488 6595 1 12 . 1 1 36 36 GLU N N 36 119.302 119.302 119.624 -0.322 25488 6596 1 12 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.836 0.107 25488 6597 1 12 . 1 1 36 36 GLU H H 36 8.239 8.239 7.939 0.300 25488 6598 1 12 . 1 1 37 37 ALA N N 37 120.683 120.683 121.008 -0.325 25488 6599 1 12 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.129 -0.082 25488 6600 1 12 . 1 1 37 37 ALA H H 37 7.898 7.898 7.542 0.356 25488 6601 1 12 . 1 1 38 38 LYS N N 38 119.470 119.470 120.165 -0.695 25488 6602 1 12 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.005 0.328 25488 6603 1 12 . 1 1 38 38 LYS H H 38 8.217 8.217 7.953 0.264 25488 6604 1 12 . 1 1 39 39 LEU N N 39 122.664 122.664 119.300 3.364 25488 6605 1 12 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.848 0.066 25488 6606 1 12 . 1 1 39 39 LEU H H 39 8.658 8.658 8.518 0.140 25488 6607 1 12 . 1 1 40 40 LYS N N 40 118.301 118.301 119.209 -0.908 25488 6608 1 12 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.917 0.756 25488 6609 1 12 . 1 1 40 40 LYS H H 40 8.221 8.221 8.205 0.016 25488 6610 1 12 . 1 1 41 41 GLU N N 41 121.462 121.462 119.659 1.803 25488 6611 1 12 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.152 -0.084 25488 6612 1 12 . 1 1 41 41 GLU H H 41 7.736 7.736 8.012 -0.276 25488 6613 1 12 . 1 1 42 42 MET N N 42 123.761 123.761 119.922 3.839 25488 6614 1 12 . 1 1 42 42 MET HA H 42 4.046 4.046 4.254 -0.208 25488 6615 1 12 . 1 1 42 42 MET H H 42 7.672 7.672 7.823 -0.151 25488 6616 1 12 . 1 1 43 43 GLN N N 43 120.035 120.035 117.696 2.339 25488 6617 1 12 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.986 -0.190 25488 6618 1 12 . 1 1 43 43 GLN H H 43 8.904 8.904 8.797 0.107 25488 6619 1 12 . 1 1 44 44 LYS N N 44 119.131 119.131 120.826 -1.695 25488 6620 1 12 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.180 -0.128 25488 6621 1 12 . 1 1 44 44 LYS H H 44 8.511 8.511 8.256 0.255 25488 6622 1 12 . 1 1 45 45 PHE N N 45 123.544 123.544 119.117 4.427 25488 6623 1 12 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.430 -0.580 25488 6624 1 12 . 1 1 45 45 PHE H H 45 8.438 8.438 8.070 0.368 25488 6625 1 12 . 1 1 46 46 PHE N N 46 112.789 112.789 116.491 -3.702 25488 6626 1 12 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.479 0.103 25488 6627 1 12 . 1 1 46 46 PHE H H 46 8.273 8.273 8.192 0.081 25488 6628 1 12 . 1 1 47 47 GLY N N 47 110.408 110.408 107.896 2.512 25488 6629 1 12 . 1 1 47 47 GLY H H 47 7.922 7.922 7.661 0.261 25488 6630 1 12 . 1 1 48 48 LEU N N 48 121.853 121.853 122.621 -0.768 25488 6631 1 12 . 1 1 48 48 LEU H H 48 8.747 8.747 8.076 0.671 25488 6632 1 12 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.395 -0.194 25488 6633 1 12 . 1 1 50 50 ILE N N 50 127.000 127.000 119.929 7.071 25488 6634 1 12 . 1 1 50 50 ILE H H 50 8.529 8.529 7.571 0.958 25488 6635 1 12 . 1 1 51 51 THR N N 51 116.519 116.519 118.448 -1.929 25488 6636 1 12 . 1 1 51 51 THR H H 51 7.980 7.980 8.616 -0.636 25488 6637 1 12 . 1 1 52 52 GLY N N 52 112.725 112.725 114.968 -2.243 25488 6638 1 12 . 1 1 52 52 GLY H H 52 9.483 9.483 9.455 0.028 25488 6639 1 12 . 1 1 53 53 MET N N 53 116.735 116.735 120.218 -3.483 25488 6640 1 12 . 1 1 53 53 MET HA H 53 4.044 4.044 4.622 -0.578 25488 6641 1 12 . 1 1 53 53 MET H H 53 7.969 7.969 8.783 -0.814 25488 6642 1 12 . 1 1 54 54 LEU N N 54 122.602 122.602 127.850 -5.248 25488 6643 1 12 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.530 -0.824 25488 6644 1 12 . 1 1 54 54 LEU H H 54 7.926 7.926 8.299 -0.373 25488 6645 1 12 . 1 1 55 55 ASN N N 55 115.755 115.755 121.654 -5.899 25488 6646 1 12 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.764 -0.024 25488 6647 1 12 . 1 1 55 55 ASN H H 55 6.555 6.555 8.315 -1.760 25488 6648 1 12 . 1 1 56 56 SER N N 56 121.450 121.450 119.501 1.949 25488 6649 1 12 . 1 1 56 56 SER HA H 56 4.662 4.662 4.231 0.431 25488 6650 1 12 . 1 1 56 56 SER H H 56 8.205 8.205 8.961 -0.756 25488 6651 1 12 . 1 1 57 57 ARG N N 57 123.219 123.219 122.043 1.176 25488 6652 1 12 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.210 -0.004 25488 6653 1 12 . 1 1 57 57 ARG H H 57 7.883 7.883 7.931 -0.048 25488 6654 1 12 . 1 1 58 58 VAL N N 58 118.843 118.843 118.272 0.571 25488 6655 1 12 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.936 -0.636 25488 6656 1 12 . 1 1 58 58 VAL H H 58 7.594 7.594 8.045 -0.451 25488 6657 1 12 . 1 1 59 59 ILE N N 59 119.212 119.212 120.432 -1.220 25488 6658 1 12 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.652 -0.183 25488 6659 1 12 . 1 1 59 59 ILE H H 59 7.326 7.326 7.555 -0.229 25488 6660 1 12 . 1 1 60 60 GLU N N 60 119.544 119.544 120.054 -0.510 25488 6661 1 12 . 1 1 60 60 GLU H H 60 7.880 7.880 7.665 0.215 25488 6662 1 12 . 1 1 61 61 ILE N N 61 118.812 118.812 112.759 6.053 25488 6663 1 12 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.904 -0.462 25488 6664 1 12 . 1 1 61 61 ILE H H 61 7.217 7.217 7.212 0.005 25488 6665 1 12 . 1 1 62 62 MET N N 62 120.202 120.202 120.583 -0.381 25488 6666 1 12 . 1 1 62 62 MET HA H 62 3.419 3.419 4.332 -0.913 25488 6667 1 12 . 1 1 62 62 MET H H 62 7.820 7.820 7.484 0.337 25488 6668 1 12 . 1 1 63 63 GLN N N 63 116.274 116.274 114.933 1.341 25488 6669 1 12 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.248 -0.007 25488 6670 1 12 . 1 1 63 63 GLN H H 63 7.442 7.442 7.488 -0.046 25488 6671 1 12 . 1 1 64 64 LYS N N 64 121.450 121.450 122.324 -0.874 25488 6672 1 12 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.355 0.144 25488 6673 1 12 . 1 1 64 64 LYS H H 64 7.474 7.474 7.164 0.310 25488 6674 1 12 . 1 1 66 66 ARG N N 66 113.173 113.173 117.868 -4.695 25488 6675 1 12 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.566 -0.127 25488 6676 1 12 . 1 1 66 66 ARG H H 66 8.151 8.151 8.017 0.134 25488 6677 1 12 . 1 1 67 67 CYS N N 67 121.794 121.794 118.500 3.294 25488 6678 1 12 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.956 -0.536 25488 6679 1 12 . 1 1 67 67 CYS H H 67 7.709 7.709 8.496 -0.787 25488 6680 1 12 . 1 1 68 68 GLY N N 68 116.255 116.255 108.144 8.111 25488 6681 1 12 . 1 1 68 68 GLY H H 68 9.707 9.707 8.383 1.324 25488 6682 1 12 . 1 1 69 69 VAL N N 69 126.541 126.541 115.305 11.236 25488 6683 1 12 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.402 -0.595 25488 6684 1 12 . 1 1 69 69 VAL H H 69 9.118 9.118 7.022 2.096 25488 6685 1 12 . 1 1 71 71 ASP N N 71 119.114 119.114 126.592 -7.478 25488 6686 1 12 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.462 0.021 25488 6687 1 12 . 1 1 71 71 ASP H H 71 8.067 8.067 8.142 -0.075 25488 6688 1 12 . 1 1 72 72 VAL N N 72 112.988 112.988 118.271 -5.283 25488 6689 1 12 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.189 0.092 25488 6690 1 12 . 1 1 72 72 VAL H H 72 6.438 6.438 7.151 -0.713 25488 6691 1 12 . 1 1 73 73 ALA N N 73 125.902 125.902 124.847 1.055 25488 6692 1 12 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.332 -0.065 25488 6693 1 12 . 1 1 73 73 ALA H H 73 8.171 8.171 8.403 -0.232 25488 6694 1 12 . 1 1 74 74 GLU N N 74 120.835 120.835 122.959 -2.124 25488 6695 1 12 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.280 -0.197 25488 6696 1 12 . 1 1 74 74 GLU H H 74 8.385 8.385 7.725 0.660 25488 6697 1 12 . 1 1 75 75 TYR N N 75 121.820 121.820 119.639 2.181 25488 6698 1 12 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.276 0.118 25488 6699 1 12 . 1 1 75 75 TYR H H 75 8.102 8.102 8.507 -0.405 25488 6700 1 12 . 1 1 76 76 SER N N 76 117.881 117.881 115.201 2.680 25488 6701 1 12 . 1 1 76 76 SER H H 76 7.718 7.718 8.814 -1.096 25488 6702 1 12 . 1 1 77 77 LEU N N 77 123.835 123.835 121.051 2.784 25488 6703 1 12 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.829 -0.737 25488 6704 1 12 . 1 1 77 77 LEU H H 77 8.033 8.033 7.516 0.517 25488 6705 1 12 . 1 1 78 78 PHE N N 78 118.893 118.893 115.270 3.623 25488 6706 1 12 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.027 -0.182 25488 6707 1 12 . 1 1 78 78 PHE H H 78 7.822 7.822 7.931 -0.109 25488 6708 1 12 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.456 -0.125 25488 6709 1 12 . 1 1 80 80 ASN N N 80 118.184 118.184 122.431 -4.247 25488 6710 1 12 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.675 0.005 25488 6711 1 12 . 1 1 80 80 ASN H H 80 8.106 8.106 7.866 0.240 25488 6712 1 12 . 1 1 81 81 SER HA H 81 4.636 4.636 4.606 0.030 25488 6713 1 12 . 1 1 83 83 LYS N N 83 114.696 114.696 120.510 -5.814 25488 6714 1 12 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.523 -0.300 25488 6715 1 12 . 1 1 83 83 LYS H H 83 7.361 7.361 7.992 -0.631 25488 6716 1 12 . 1 1 84 84 TRP N N 84 122.459 122.459 122.247 0.212 25488 6717 1 12 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.731 -0.728 25488 6718 1 12 . 1 1 84 84 TRP H H 84 8.020 8.020 8.700 -0.680 25488 6719 1 12 . 1 1 85 85 THR N N 85 113.482 113.482 116.612 -3.130 25488 6720 1 12 . 1 1 85 85 THR HA H 85 4.586 4.586 4.250 0.336 25488 6721 1 12 . 1 1 85 85 THR H H 85 8.833 8.833 8.893 -0.060 25488 6722 1 12 . 1 1 86 86 SER N N 86 117.316 117.316 112.935 4.381 25488 6723 1 12 . 1 1 86 86 SER HA H 86 4.665 4.665 4.753 -0.088 25488 6724 1 12 . 1 1 86 86 SER H H 86 7.724 7.724 7.758 -0.034 25488 6725 1 12 . 1 1 87 87 LYS N N 87 120.411 120.411 120.551 -0.140 25488 6726 1 12 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.342 -0.203 25488 6727 1 12 . 1 1 87 87 LYS H H 87 8.312 8.312 8.441 -0.129 25488 6728 1 12 . 1 1 88 88 VAL N N 88 117.674 117.674 121.251 -3.577 25488 6729 1 12 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.176 0.475 25488 6730 1 12 . 1 1 88 88 VAL H H 88 7.425 7.425 7.218 0.207 25488 6731 1 12 . 1 1 89 89 VAL N N 89 131.493 131.493 127.538 3.955 25488 6732 1 12 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.133 0.008 25488 6733 1 12 . 1 1 89 89 VAL H H 89 8.574 8.574 9.007 -0.433 25488 6734 1 12 . 1 1 90 90 THR N N 90 118.245 118.245 116.567 1.678 25488 6735 1 12 . 1 1 90 90 THR HA H 90 5.627 5.627 5.462 0.165 25488 6736 1 12 . 1 1 90 90 THR H H 90 9.021 9.021 8.961 0.060 25488 6737 1 12 . 1 1 91 91 TYR N N 91 118.267 118.267 116.832 1.435 25488 6738 1 12 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.825 -0.151 25488 6739 1 12 . 1 1 91 91 TYR H H 91 8.555 8.555 8.131 0.424 25488 6740 1 12 . 1 1 92 92 ARG N N 92 120.260 120.260 121.551 -1.291 25488 6741 1 12 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.859 -0.213 25488 6742 1 12 . 1 1 92 92 ARG H H 92 8.513 8.513 8.173 0.340 25488 6743 1 12 . 1 1 93 93 ILE N N 93 128.361 128.361 127.616 0.745 25488 6744 1 12 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.316 0.303 25488 6745 1 12 . 1 1 93 93 ILE H H 93 8.878 8.878 8.935 -0.057 25488 6746 1 12 . 1 1 94 94 VAL N N 94 126.374 126.374 127.759 -1.385 25488 6747 1 12 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.120 -0.120 25488 6748 1 12 . 1 1 94 94 VAL H H 94 9.492 9.492 9.150 0.342 25488 6749 1 12 . 1 1 95 95 SER N N 95 113.303 113.303 114.007 -0.704 25488 6750 1 12 . 1 1 95 95 SER HA H 95 4.705 4.705 4.756 -0.051 25488 6751 1 12 . 1 1 95 95 SER H H 95 7.431 7.431 7.748 -0.317 25488 6752 1 12 . 1 1 96 96 TYR N N 96 117.054 117.054 117.280 -0.226 25488 6753 1 12 . 1 1 96 96 TYR H H 96 8.255 8.255 7.687 0.568 25488 6754 1 12 . 1 1 98 98 ARG N N 98 128.445 128.445 121.012 7.433 25488 6755 1 12 . 1 1 98 98 ARG HA H 98 4.338 4.338 3.950 0.388 25488 6756 1 12 . 1 1 98 98 ARG H H 98 8.964 8.964 9.380 -0.416 25488 6757 1 12 . 1 1 99 99 ASP N N 99 120.412 120.412 118.726 1.686 25488 6758 1 12 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.573 -0.238 25488 6759 1 12 . 1 1 99 99 ASP H H 99 8.695 8.695 8.242 0.453 25488 6760 1 12 . 1 1 100 100 LEU N N 100 116.851 116.851 119.443 -2.592 25488 6761 1 12 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.830 0.103 25488 6762 1 12 . 1 1 100 100 LEU H H 100 6.902 6.902 7.589 -0.687 25488 6763 1 12 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.660 0.507 25488 6764 1 12 . 1 1 103 103 ILE N N 103 115.469 115.469 113.983 1.486 25488 6765 1 12 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.793 0.380 25488 6766 1 12 . 1 1 103 103 ILE H H 103 8.296 8.296 8.052 0.244 25488 6767 1 12 . 1 1 104 104 THR N N 104 119.413 119.413 114.223 5.190 25488 6768 1 12 . 1 1 104 104 THR HA H 104 4.019 4.019 3.990 0.029 25488 6769 1 12 . 1 1 104 104 THR H H 104 6.915 6.915 8.108 -1.193 25488 6770 1 12 . 1 1 105 105 VAL N N 105 123.232 123.232 120.579 2.653 25488 6771 1 12 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.706 -0.292 25488 6772 1 12 . 1 1 105 105 VAL H H 105 7.379 7.379 7.687 -0.308 25488 6773 1 12 . 1 1 106 106 ASP N N 106 120.160 120.160 119.803 0.357 25488 6774 1 12 . 1 1 106 106 ASP H H 106 8.615 8.615 8.155 0.460 25488 6775 1 12 . 1 1 107 107 ARG N N 107 121.041 121.041 117.417 3.624 25488 6776 1 12 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.137 -0.047 25488 6777 1 12 . 1 1 107 107 ARG H H 107 8.372 8.372 7.476 0.896 25488 6778 1 12 . 1 1 108 108 LEU N N 108 121.644 121.644 118.971 2.673 25488 6779 1 12 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.188 0.065 25488 6780 1 12 . 1 1 108 108 LEU H H 108 8.768 8.768 7.438 1.330 25488 6781 1 12 . 1 1 109 109 VAL N N 109 120.347 120.347 116.174 4.173 25488 6782 1 12 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.504 -0.133 25488 6783 1 12 . 1 1 109 109 VAL H H 109 8.762 8.762 8.120 0.642 25488 6784 1 12 . 1 1 110 110 SER N N 110 112.949 112.949 115.749 -2.800 25488 6785 1 12 . 1 1 110 110 SER HA H 110 4.270 4.270 4.256 0.014 25488 6786 1 12 . 1 1 110 110 SER H H 110 7.605 7.605 7.689 -0.084 25488 6787 1 12 . 1 1 111 111 LYS N N 111 122.434 122.434 121.524 0.910 25488 6788 1 12 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.152 -0.110 25488 6789 1 12 . 1 1 111 111 LYS H H 111 8.146 8.146 7.620 0.526 25488 6790 1 12 . 1 1 112 112 ALA N N 112 124.099 124.099 123.873 0.226 25488 6791 1 12 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.990 0.087 25488 6792 1 12 . 1 1 112 112 ALA H H 112 8.270 8.270 7.248 1.022 25488 6793 1 12 . 1 1 113 113 LEU N N 113 116.251 116.251 117.592 -1.341 25488 6794 1 12 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.550 0.172 25488 6795 1 12 . 1 1 113 113 LEU H H 113 8.019 8.019 7.665 0.354 25488 6796 1 12 . 1 1 114 114 ASN N N 114 116.659 116.659 117.487 -0.828 25488 6797 1 12 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.332 0.197 25488 6798 1 12 . 1 1 114 114 ASN H H 114 8.197 8.197 7.825 0.372 25488 6799 1 12 . 1 1 115 115 MET N N 115 122.118 122.118 119.070 3.048 25488 6800 1 12 . 1 1 115 115 MET HA H 115 4.013 4.013 3.974 0.039 25488 6801 1 12 . 1 1 115 115 MET H H 115 7.918 7.918 7.395 0.523 25488 6802 1 12 . 1 1 116 116 TRP N N 116 117.117 117.117 115.933 1.184 25488 6803 1 12 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.644 -0.134 25488 6804 1 12 . 1 1 116 116 TRP H H 116 6.773 6.773 7.314 -0.541 25488 6805 1 12 . 1 1 117 117 GLY N N 117 104.656 104.656 105.904 -1.248 25488 6806 1 12 . 1 1 117 117 GLY H H 117 9.305 9.305 8.261 1.044 25488 6807 1 12 . 1 1 118 118 LYS N N 118 118.567 118.567 119.391 -0.824 25488 6808 1 12 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.308 -0.131 25488 6809 1 12 . 1 1 118 118 LYS H H 118 7.947 7.947 8.155 -0.208 25488 6810 1 12 . 1 1 119 119 GLU N N 119 113.899 113.899 118.263 -4.364 25488 6811 1 12 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.418 0.390 25488 6812 1 12 . 1 1 119 119 GLU H H 119 7.773 7.773 7.579 0.194 25488 6813 1 12 . 1 1 120 120 ILE N N 120 111.215 111.215 121.136 -9.921 25488 6814 1 12 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.951 0.370 25488 6815 1 12 . 1 1 120 120 ILE H H 120 7.528 7.528 8.127 -0.599 25488 6816 1 12 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.517 0.104 25488 6817 1 12 . 1 1 122 122 LEU N N 122 121.481 121.481 120.523 0.958 25488 6818 1 12 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.079 0.213 25488 6819 1 12 . 1 1 122 122 LEU H H 122 6.815 6.815 7.876 -1.061 25488 6820 1 12 . 1 1 123 123 HIS N N 123 120.769 120.769 121.327 -0.558 25488 6821 1 12 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.617 -0.025 25488 6822 1 12 . 1 1 123 123 HIS H H 123 7.709 7.709 7.752 -0.043 25488 6823 1 12 . 1 1 124 124 PHE N N 124 120.530 120.530 123.209 -2.679 25488 6824 1 12 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.634 0.178 25488 6825 1 12 . 1 1 124 124 PHE H H 124 8.306 8.306 8.876 -0.570 25488 6826 1 12 . 1 1 125 125 ARG N N 125 123.891 123.891 125.349 -1.458 25488 6827 1 12 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.711 -0.058 25488 6828 1 12 . 1 1 125 125 ARG H H 125 8.408 8.408 8.850 -0.442 25488 6829 1 12 . 1 1 126 126 LYS N N 126 130.178 130.178 126.735 3.443 25488 6830 1 12 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.878 -0.517 25488 6831 1 12 . 1 1 126 126 LYS H H 126 8.468 8.468 8.419 0.049 25488 6832 1 12 . 1 1 127 127 VAL N N 127 125.180 125.180 126.607 -1.427 25488 6833 1 12 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.331 0.177 25488 6834 1 12 . 1 1 127 127 VAL H H 127 8.679 8.679 8.204 0.475 25488 6835 1 12 . 1 1 128 128 VAL N N 128 117.584 117.584 117.412 0.172 25488 6836 1 12 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.284 0.002 25488 6837 1 12 . 1 1 128 128 VAL H H 128 8.469 8.469 8.357 0.112 25488 6838 1 12 . 1 1 129 129 TRP N N 129 119.805 119.805 118.587 1.218 25488 6839 1 12 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.696 -0.010 25488 6840 1 12 . 1 1 129 129 TRP H H 129 7.447 7.447 7.740 -0.293 25488 6841 1 12 . 1 1 130 130 GLY N N 130 109.844 109.844 111.155 -1.311 25488 6842 1 12 . 1 1 130 130 GLY H H 130 8.072 8.072 8.251 -0.179 25488 6843 1 12 . 1 1 131 131 THR N N 131 116.125 116.125 112.823 3.302 25488 6844 1 12 . 1 1 131 131 THR HA H 131 4.123 4.123 4.311 -0.188 25488 6845 1 12 . 1 1 131 131 THR H H 131 8.196 8.196 8.145 0.051 25488 6846 1 12 . 1 1 132 132 ALA N N 132 129.613 129.613 126.642 2.971 25488 6847 1 12 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.522 -0.011 25488 6848 1 12 . 1 1 132 132 ALA H H 132 7.919 7.919 8.204 -0.285 25488 6849 1 12 . 1 1 133 133 ASP N N 133 123.004 123.004 120.674 2.330 25488 6850 1 12 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.655 -0.213 25488 6851 1 12 . 1 1 133 133 ASP H H 133 8.248 8.248 8.236 0.012 25488 6852 1 12 . 1 1 134 134 ILE N N 134 125.478 125.478 122.318 3.160 25488 6853 1 12 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.408 -0.315 25488 6854 1 12 . 1 1 134 134 ILE H H 134 8.804 8.804 8.025 0.779 25488 6855 1 12 . 1 1 135 135 MET N N 135 127.471 127.471 126.927 0.544 25488 6856 1 12 . 1 1 135 135 MET HA H 135 5.194 5.194 4.982 0.212 25488 6857 1 12 . 1 1 135 135 MET H H 135 7.437 7.437 9.251 -1.814 25488 6858 1 12 . 1 1 136 136 ILE N N 136 125.040 125.040 121.437 3.603 25488 6859 1 12 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.084 0.493 25488 6860 1 12 . 1 1 136 136 ILE H H 136 9.085 9.085 8.458 0.627 25488 6861 1 12 . 1 1 137 137 GLY N N 137 112.059 112.059 113.512 -1.453 25488 6862 1 12 . 1 1 137 137 GLY H H 137 8.568 8.568 8.371 0.197 25488 6863 1 12 . 1 1 138 138 PHE N N 138 119.447 119.447 122.085 -2.638 25488 6864 1 12 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.523 -0.069 25488 6865 1 12 . 1 1 138 138 PHE H H 138 7.861 7.861 9.052 -1.191 25488 6866 1 12 . 1 1 139 139 ALA N N 139 123.657 123.657 127.512 -3.855 25488 6867 1 12 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.812 -0.077 25488 6868 1 12 . 1 1 139 139 ALA H H 139 8.939 8.939 8.827 0.112 25488 6869 1 12 . 1 1 140 140 ARG N N 140 118.688 118.688 119.225 -0.537 25488 6870 1 12 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.763 0.311 25488 6871 1 12 . 1 1 140 140 ARG H H 140 8.563 8.563 8.807 -0.244 25488 6872 1 12 . 1 1 141 141 GLY N N 141 108.964 108.964 109.716 -0.752 25488 6873 1 12 . 1 1 141 141 GLY H H 141 9.018 9.018 9.344 -0.326 25488 6874 1 12 . 1 1 143 143 HIS N N 143 120.218 120.218 116.135 4.083 25488 6875 1 12 . 1 1 143 143 HIS H H 143 8.998 8.998 7.607 1.391 25488 6876 1 12 . 1 1 145 145 ASP N N 145 117.684 117.684 121.064 -3.380 25488 6877 1 12 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.806 -0.106 25488 6878 1 12 . 1 1 145 145 ASP H H 145 7.088 7.088 7.961 -0.873 25488 6879 1 12 . 1 1 146 146 SER HA H 146 4.140 4.140 4.397 -0.257 25488 6880 1 12 . 1 1 146 146 SER H H 146 8.220 8.220 8.494 -0.274 25488 6881 1 12 . 1 1 147 147 TYR N N 147 120.867 120.867 117.479 3.388 25488 6882 1 12 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.230 0.558 25488 6883 1 12 . 1 1 147 147 TYR H H 147 7.459 7.459 8.108 -0.649 25488 6884 1 12 . 1 1 149 149 PHE N N 149 120.630 120.630 117.537 3.093 25488 6885 1 12 . 1 1 149 149 PHE H H 149 8.018 8.018 8.039 -0.021 25488 6886 1 12 . 1 1 150 150 ASP N N 150 115.626 115.626 118.627 -3.001 25488 6887 1 12 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.180 0.663 25488 6888 1 12 . 1 1 150 150 ASP H H 150 7.543 7.543 7.722 -0.179 25488 6889 1 12 . 1 1 151 151 GLY N N 151 110.700 110.700 109.466 1.234 25488 6890 1 12 . 1 1 151 151 GLY H H 151 9.074 9.074 8.201 0.873 25488 6891 1 12 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.415 -0.389 25488 6892 1 12 . 1 1 153 153 GLY N N 153 118.786 118.786 115.079 3.707 25488 6893 1 12 . 1 1 153 153 GLY H H 153 11.385 11.385 8.633 2.752 25488 6894 1 12 . 1 1 154 154 ASN N N 154 120.613 120.613 117.655 2.958 25488 6895 1 12 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.439 -0.241 25488 6896 1 12 . 1 1 154 154 ASN H H 154 9.225 9.225 8.532 0.693 25488 6897 1 12 . 1 1 155 155 THR N N 155 118.700 118.700 113.566 5.134 25488 6898 1 12 . 1 1 155 155 THR HA H 155 5.542 5.542 4.443 1.099 25488 6899 1 12 . 1 1 155 155 THR H H 155 9.519 9.519 8.219 1.300 25488 6900 1 12 . 1 1 156 156 LEU N N 156 122.765 122.765 117.443 5.322 25488 6901 1 12 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.992 -0.050 25488 6902 1 12 . 1 1 156 156 LEU H H 156 8.500 8.500 8.393 0.107 25488 6903 1 12 . 1 1 157 157 ALA N N 157 115.545 115.545 120.964 -5.419 25488 6904 1 12 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.922 0.085 25488 6905 1 12 . 1 1 157 157 ALA H H 157 7.545 7.545 7.582 -0.037 25488 6906 1 12 . 1 1 158 158 HIS N N 158 111.868 111.868 116.563 -4.695 25488 6907 1 12 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.832 -0.215 25488 6908 1 12 . 1 1 158 158 HIS H H 158 8.774 8.774 8.414 0.360 25488 6909 1 12 . 1 1 159 159 ALA N N 159 118.565 118.565 125.236 -6.671 25488 6910 1 12 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.754 -0.097 25488 6911 1 12 . 1 1 159 159 ALA H H 159 6.114 6.114 8.120 -2.006 25488 6912 1 12 . 1 1 160 160 PHE N N 160 118.042 118.042 121.460 -3.418 25488 6913 1 12 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.828 -0.347 25488 6914 1 12 . 1 1 160 160 PHE H H 160 7.897 7.897 8.708 -0.811 25488 6915 1 12 . 1 1 161 161 ALA N N 161 123.548 123.548 123.910 -0.362 25488 6916 1 12 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.716 -0.233 25488 6917 1 12 . 1 1 161 161 ALA H H 161 8.089 8.089 8.507 -0.418 25488 6918 1 12 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.045 -0.174 25488 6919 1 12 . 1 1 163 163 GLY N N 163 107.255 107.255 109.865 -2.610 25488 6920 1 12 . 1 1 163 163 GLY H H 163 5.992 5.992 7.007 -1.015 25488 6921 1 12 . 1 1 165 165 GLY H H 165 9.149 9.149 8.013 1.136 25488 6922 1 12 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.300 -0.147 25488 6923 1 12 . 1 1 167 167 GLY N N 167 103.338 103.338 103.663 -0.325 25488 6924 1 12 . 1 1 167 167 GLY H H 167 7.774 7.774 7.231 0.543 25488 6925 1 12 . 1 1 168 168 GLY N N 168 121.031 121.031 108.675 12.356 25488 6926 1 12 . 1 1 168 168 GLY H H 168 7.685 7.685 8.043 -0.358 25488 6927 1 12 . 1 1 169 169 ASP N N 169 123.703 123.703 123.431 0.272 25488 6928 1 12 . 1 1 169 169 ASP H H 169 8.578 8.578 7.845 0.733 25488 6929 1 12 . 1 1 170 170 ALA N N 170 119.569 119.569 123.115 -3.546 25488 6930 1 12 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.740 -0.036 25488 6931 1 12 . 1 1 170 170 ALA H H 170 8.371 8.371 8.716 -0.345 25488 6932 1 12 . 1 1 171 171 HIS N N 171 120.286 120.286 120.502 -0.216 25488 6933 1 12 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.488 0.242 25488 6934 1 12 . 1 1 171 171 HIS H H 171 8.513 8.513 8.669 -0.156 25488 6935 1 12 . 1 1 172 172 PHE N N 172 120.919 120.919 121.334 -0.415 25488 6936 1 12 . 1 1 172 172 PHE H H 172 8.457 8.457 8.411 0.046 25488 6937 1 12 . 1 1 173 173 ASP N N 173 123.993 123.993 122.828 1.165 25488 6938 1 12 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.046 -1.150 25488 6939 1 12 . 1 1 173 173 ASP H H 173 7.915 7.915 8.719 -0.804 25488 6940 1 12 . 1 1 174 174 GLU N N 174 132.684 132.684 127.479 5.205 25488 6941 1 12 . 1 1 174 174 GLU H H 174 9.461 9.461 8.415 1.046 25488 6942 1 12 . 1 1 175 175 ASP N N 175 117.313 117.313 119.045 -1.732 25488 6943 1 12 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.651 0.146 25488 6944 1 12 . 1 1 175 175 ASP H H 175 8.756 8.756 7.978 0.778 25488 6945 1 12 . 1 1 176 176 GLU N N 176 116.511 116.511 118.521 -2.010 25488 6946 1 12 . 1 1 176 176 GLU H H 176 7.154 7.154 7.914 -0.760 25488 6947 1 12 . 1 1 177 177 ARG N N 177 121.920 121.920 126.662 -4.742 25488 6948 1 12 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.474 0.151 25488 6949 1 12 . 1 1 177 177 ARG H H 177 7.555 7.555 8.402 -0.847 25488 6950 1 12 . 1 1 178 178 TRP N N 178 129.182 129.182 126.770 2.412 25488 6951 1 12 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.456 -0.343 25488 6952 1 12 . 1 1 178 178 TRP H H 178 8.788 8.788 8.693 0.095 25488 6953 1 12 . 1 1 179 179 THR N N 179 112.874 112.874 114.583 -1.709 25488 6954 1 12 . 1 1 179 179 THR HA H 179 5.015 5.015 4.777 0.238 25488 6955 1 12 . 1 1 179 179 THR H H 179 8.946 8.946 8.946 0.000 25488 6956 1 12 . 1 1 180 180 ASP N N 180 121.969 121.969 123.798 -1.829 25488 6957 1 12 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.832 -0.410 25488 6958 1 12 . 1 1 180 180 ASP H H 180 8.478 8.478 8.533 -0.055 25488 6959 1 12 . 1 1 181 181 GLY N N 181 110.059 110.059 107.414 2.645 25488 6960 1 12 . 1 1 181 181 GLY H H 181 8.572 8.572 8.271 0.301 25488 6961 1 12 . 1 1 182 182 SER N N 182 115.564 115.564 117.155 -1.591 25488 6962 1 12 . 1 1 182 182 SER HA H 182 4.599 4.599 4.536 0.063 25488 6963 1 12 . 1 1 182 182 SER H H 182 8.173 8.173 8.172 0.001 25488 6964 1 12 . 1 1 183 183 SER N N 183 117.066 117.066 114.091 2.975 25488 6965 1 12 . 1 1 183 183 SER H H 183 7.819 7.819 8.140 -0.321 25488 6966 1 12 . 1 1 184 184 LEU N N 184 121.954 121.954 121.296 0.658 25488 6967 1 12 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.446 -0.084 25488 6968 1 12 . 1 1 184 184 LEU H H 184 8.104 8.104 8.084 0.020 25488 6969 1 12 . 1 1 185 185 GLY N N 185 108.989 108.989 105.096 3.893 25488 6970 1 12 . 1 1 185 185 GLY H H 185 7.954 7.954 7.500 0.454 25488 6971 1 12 . 1 1 186 186 ILE N N 186 123.084 123.084 120.574 2.510 25488 6972 1 12 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.248 -0.469 25488 6973 1 12 . 1 1 186 186 ILE H H 186 8.878 8.878 8.046 0.832 25488 6974 1 12 . 1 1 187 187 ASN N N 187 126.999 126.999 125.404 1.595 25488 6975 1 12 . 1 1 187 187 ASN HA H 187 4.396 4.396 5.166 -0.770 25488 6976 1 12 . 1 1 187 187 ASN H H 187 8.575 8.575 9.169 -0.594 25488 6977 1 12 . 1 1 188 188 PHE N N 188 129.819 129.819 127.965 1.854 25488 6978 1 12 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.478 0.113 25488 6979 1 12 . 1 1 188 188 PHE H H 188 9.365 9.365 8.506 0.859 25488 6980 1 12 . 1 1 189 189 LEU N N 189 119.292 119.292 121.675 -2.383 25488 6981 1 12 . 1 1 189 189 LEU HA H 189 3.833 3.833 4.056 -0.223 25488 6982 1 12 . 1 1 189 189 LEU H H 189 8.551 8.551 7.909 0.642 25488 6983 1 12 . 1 1 191 191 ALA N N 191 120.347 120.347 121.577 -1.230 25488 6984 1 12 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.133 0.164 25488 6985 1 12 . 1 1 191 191 ALA H H 191 7.973 7.973 7.953 0.020 25488 6986 1 12 . 1 1 192 192 ALA N N 192 121.365 121.365 121.023 0.342 25488 6987 1 12 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.999 0.018 25488 6988 1 12 . 1 1 192 192 ALA H H 192 9.258 9.258 8.360 0.898 25488 6989 1 12 . 1 1 193 193 THR N N 193 117.027 117.027 114.676 2.351 25488 6990 1 12 . 1 1 193 193 THR HA H 193 3.825 3.825 4.147 -0.322 25488 6991 1 12 . 1 1 193 193 THR H H 193 8.209 8.209 8.194 0.015 25488 6992 1 12 . 1 1 194 194 HIS N N 194 120.231 120.231 121.310 -1.079 25488 6993 1 12 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.308 -0.075 25488 6994 1 12 . 1 1 194 194 HIS H H 194 7.805 7.805 7.779 0.026 25488 6995 1 12 . 1 1 195 195 ALA N N 195 121.346 121.346 122.719 -1.373 25488 6996 1 12 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.982 0.198 25488 6997 1 12 . 1 1 195 195 ALA H H 195 8.693 8.693 8.218 0.475 25488 6998 1 12 . 1 1 196 196 LEU N N 196 114.951 114.951 115.615 -0.664 25488 6999 1 12 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.133 0.025 25488 7000 1 12 . 1 1 196 196 LEU H H 196 8.714 8.714 8.385 0.329 25488 7001 1 12 . 1 1 197 197 GLY N N 197 107.954 107.954 107.068 0.886 25488 7002 1 12 . 1 1 197 197 GLY H H 197 7.540 7.540 7.434 0.106 25488 7003 1 12 . 1 1 198 198 HIS N N 198 121.996 121.996 121.995 0.001 25488 7004 1 12 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.372 0.437 25488 7005 1 12 . 1 1 198 198 HIS H H 198 7.205 7.205 7.559 -0.354 25488 7006 1 12 . 1 1 199 199 SER N N 199 118.570 118.570 113.022 5.548 25488 7007 1 12 . 1 1 199 199 SER HA H 199 4.448 4.448 4.562 -0.114 25488 7008 1 12 . 1 1 199 199 SER H H 199 7.886 7.886 7.869 0.017 25488 7009 1 12 . 1 1 200 200 LEU N N 200 114.779 114.779 118.035 -3.256 25488 7010 1 12 . 1 1 200 200 LEU H H 200 7.106 7.106 7.297 -0.191 25488 7011 1 12 . 1 1 201 201 GLY N N 201 108.350 108.350 105.269 3.081 25488 7012 1 12 . 1 1 201 201 GLY H H 201 8.213 8.213 7.345 0.868 25488 7013 1 12 . 1 1 202 202 MET N N 202 119.623 119.623 119.933 -0.310 25488 7014 1 12 . 1 1 202 202 MET HA H 202 4.484 4.484 4.704 -0.220 25488 7015 1 12 . 1 1 202 202 MET H H 202 8.189 8.189 8.125 0.064 25488 7016 1 12 . 1 1 203 203 GLY N N 203 109.770 109.770 106.595 3.175 25488 7017 1 12 . 1 1 203 203 GLY H H 203 8.413 8.413 8.200 0.213 25488 7018 1 12 . 1 1 204 204 HIS N N 204 115.793 115.793 117.490 -1.697 25488 7019 1 12 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.744 0.630 25488 7020 1 12 . 1 1 204 204 HIS H H 204 8.383 8.383 8.405 -0.022 25488 7021 1 12 . 1 1 205 205 SER N N 205 115.497 115.497 114.990 0.507 25488 7022 1 12 . 1 1 205 205 SER HA H 205 4.721 4.721 4.746 -0.025 25488 7023 1 12 . 1 1 205 205 SER H H 205 7.223 7.223 8.416 -1.193 25488 7024 1 12 . 1 1 206 206 SER N N 206 119.268 119.268 119.094 0.174 25488 7025 1 12 . 1 1 206 206 SER HA H 206 3.721 3.721 4.608 -0.887 25488 7026 1 12 . 1 1 206 206 SER H H 206 8.290 8.290 8.907 -0.617 25488 7027 1 12 . 1 1 207 207 ASP N N 207 126.656 126.656 122.146 4.510 25488 7028 1 12 . 1 1 207 207 ASP H H 207 8.541 8.541 7.835 0.706 25488 7029 1 12 . 1 1 209 209 ASN N N 209 115.911 115.911 116.469 -0.558 25488 7030 1 12 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.386 0.230 25488 7031 1 12 . 1 1 209 209 ASN H H 209 8.374 8.374 8.234 0.140 25488 7032 1 12 . 1 1 210 210 ALA N N 210 124.929 124.929 122.603 2.326 25488 7033 1 12 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.494 -0.340 25488 7034 1 12 . 1 1 210 210 ALA H H 210 8.182 8.182 7.582 0.600 25488 7035 1 12 . 1 1 211 211 VAL N N 211 130.383 130.383 122.586 7.797 25488 7036 1 12 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.608 0.642 25488 7037 1 12 . 1 1 211 211 VAL H H 211 11.554 11.554 8.753 2.801 25488 7038 1 12 . 1 1 212 212 MET N N 212 113.319 113.319 114.859 -1.540 25488 7039 1 12 . 1 1 212 212 MET H H 212 7.741 7.741 7.896 -0.155 25488 7040 1 12 . 1 1 213 213 TYR N N 213 130.006 130.006 124.147 5.859 25488 7041 1 12 . 1 1 213 213 TYR H H 213 7.899 7.899 7.345 0.554 25488 7042 1 12 . 1 1 215 215 THR N N 215 104.747 104.747 106.488 -1.741 25488 7043 1 12 . 1 1 215 215 THR HA H 215 4.404 4.404 4.231 0.173 25488 7044 1 12 . 1 1 215 215 THR H H 215 6.402 6.402 7.922 -1.520 25488 7045 1 12 . 1 1 216 216 TYR N N 216 124.699 124.699 121.631 3.068 25488 7046 1 12 . 1 1 216 216 TYR H H 216 8.341 8.341 7.253 1.088 25488 7047 1 12 . 1 1 217 217 GLY N N 217 116.288 116.288 110.491 5.797 25488 7048 1 12 . 1 1 217 217 GLY H H 217 7.685 7.685 8.367 -0.682 25488 7049 1 12 . 1 1 218 218 ASN N N 218 119.920 119.920 115.562 4.358 25488 7050 1 12 . 1 1 218 218 ASN HA H 218 4.620 4.620 5.059 -0.439 25488 7051 1 12 . 1 1 218 218 ASN H H 218 8.221 8.221 8.519 -0.298 25488 7052 1 12 . 1 1 219 219 GLY N N 219 109.601 109.601 107.904 1.697 25488 7053 1 12 . 1 1 219 219 GLY H H 219 8.072 8.072 8.036 0.036 25488 7054 1 12 . 1 1 220 220 ASP N N 220 123.006 123.006 121.005 2.001 25488 7055 1 12 . 1 1 220 220 ASP H H 220 8.280 8.280 8.003 0.277 25488 7056 1 12 . 1 1 222 222 GLN N N 222 116.642 116.642 117.939 -1.297 25488 7057 1 12 . 1 1 222 222 GLN H H 222 8.215 8.215 8.473 -0.258 25488 7058 1 12 . 1 1 223 223 ASN N N 223 118.361 118.361 117.549 0.812 25488 7059 1 12 . 1 1 223 223 ASN H H 223 7.970 7.970 8.041 -0.071 25488 7060 1 12 . 1 1 225 225 LYS N N 225 122.215 122.215 125.975 -3.760 25488 7061 1 12 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.587 -0.171 25488 7062 1 12 . 1 1 225 225 LYS H H 225 7.656 7.656 7.794 -0.138 25488 7063 1 12 . 1 1 226 226 LEU N N 226 119.165 119.165 121.603 -2.438 25488 7064 1 12 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.706 -0.618 25488 7065 1 12 . 1 1 226 226 LEU H H 226 7.984 7.984 8.317 -0.333 25488 7066 1 12 . 1 1 227 227 SER N N 227 120.520 120.520 116.949 3.571 25488 7067 1 12 . 1 1 227 227 SER HA H 227 4.676 4.676 4.496 0.180 25488 7068 1 12 . 1 1 227 227 SER H H 227 9.646 9.646 8.364 1.282 25488 7069 1 12 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.342 0.332 25488 7070 1 12 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.410 -0.036 25488 7071 1 12 . 1 1 229 229 ASP H H 229 8.113 8.113 7.935 0.178 25488 7072 1 12 . 1 1 230 230 ASP N N 230 119.878 119.878 118.663 1.215 25488 7073 1 12 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.498 -0.160 25488 7074 1 12 . 1 1 230 230 ASP H H 230 7.397 7.397 7.941 -0.544 25488 7075 1 12 . 1 1 231 231 ILE N N 231 120.389 120.389 117.966 2.423 25488 7076 1 12 . 1 1 231 231 ILE HA H 231 3.655 3.655 4.036 -0.381 25488 7077 1 12 . 1 1 231 231 ILE H H 231 8.100 8.100 7.522 0.578 25488 7078 1 12 . 1 1 232 232 LYS N N 232 119.084 119.084 121.268 -2.184 25488 7079 1 12 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.951 0.144 25488 7080 1 12 . 1 1 232 232 LYS H H 232 8.581 8.581 7.599 0.982 25488 7081 1 12 . 1 1 233 233 GLY N N 233 106.424 106.424 105.053 1.371 25488 7082 1 12 . 1 1 233 233 GLY H H 233 8.061 8.061 8.111 -0.050 25488 7083 1 12 . 1 1 234 234 ILE N N 234 125.166 125.166 123.114 2.052 25488 7084 1 12 . 1 1 234 234 ILE H H 234 8.517 8.517 7.554 0.963 25488 7085 1 12 . 1 1 235 235 GLN N N 235 122.969 122.969 118.149 4.820 25488 7086 1 12 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.074 0.307 25488 7087 1 12 . 1 1 235 235 GLN H H 235 8.291 8.291 7.829 0.462 25488 7088 1 12 . 1 1 236 236 LYS N N 236 123.770 123.770 113.466 10.304 25488 7089 1 12 . 1 1 236 236 LYS H H 236 8.035 8.035 7.709 0.326 25488 7090 1 12 . 1 1 237 237 LEU N N 237 116.854 116.854 120.657 -3.803 25488 7091 1 12 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.044 -0.085 25488 7092 1 12 . 1 1 237 237 LEU H H 237 6.886 6.886 7.576 -0.690 25488 7093 1 12 . 1 1 238 238 TYR N N 238 112.132 112.132 115.472 -3.340 25488 7094 1 12 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.611 0.015 25488 7095 1 12 . 1 1 238 238 TYR H H 238 7.459 7.459 8.172 -0.713 25488 7096 1 12 . 1 1 239 239 GLY N N 239 110.898 110.898 107.021 3.877 25488 7097 1 12 . 1 1 239 239 GLY H H 239 8.442 8.442 7.491 0.951 25488 7098 1 12 . 1 1 240 240 LYS N N 240 114.400 114.400 120.642 -6.242 25488 7099 1 12 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.400 0.404 25488 7100 1 12 . 1 1 240 240 LYS H H 240 7.865 7.865 8.416 -0.551 25488 7101 1 12 . 1 1 241 241 ARG N N 241 123.851 123.851 124.206 -0.355 25488 7102 1 12 . 1 1 241 241 ARG H H 241 7.760 7.760 8.764 -1.004 25488 7103 1 12 . 1 1 242 242 SER N N 242 135.647 135.647 119.501 16.146 25488 7104 1 12 . 1 1 242 242 SER H H 242 9.158 9.158 8.592 0.566 25488 7105 1 13 . 1 1 3 3 GLU N N 3 121.690 121.690 123.535 -1.845 25488 7106 1 13 . 1 1 3 3 GLU H H 3 8.332 8.332 8.988 -0.656 25488 7107 1 13 . 1 1 4 4 ALA N N 4 124.526 124.526 118.322 6.204 25488 7108 1 13 . 1 1 4 4 ALA H H 4 8.111 8.111 8.250 -0.139 25488 7109 1 13 . 1 1 5 5 GLY N N 5 108.229 108.229 104.639 3.590 25488 7110 1 13 . 1 1 5 5 GLY H H 5 8.286 8.286 7.456 0.830 25488 7111 1 13 . 1 1 6 6 GLY N N 6 108.867 108.867 108.634 0.233 25488 7112 1 13 . 1 1 6 6 GLY H H 6 8.239 8.239 7.700 0.539 25488 7113 1 13 . 1 1 7 7 MET N N 7 119.984 119.984 120.520 -0.536 25488 7114 1 13 . 1 1 7 7 MET H H 7 8.044 8.044 7.621 0.423 25488 7115 1 13 . 1 1 8 8 SER N N 8 118.771 118.771 118.847 -0.076 25488 7116 1 13 . 1 1 8 8 SER HA H 8 4.239 4.239 4.339 -0.100 25488 7117 1 13 . 1 1 8 8 SER H H 8 8.738 8.738 8.227 0.511 25488 7118 1 13 . 1 1 9 9 GLU N N 9 122.551 122.551 122.510 0.041 25488 7119 1 13 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.164 0.088 25488 7120 1 13 . 1 1 9 9 GLU H H 9 8.919 8.919 9.062 -0.143 25488 7121 1 13 . 1 1 10 10 LEU N N 10 120.638 120.638 119.255 1.383 25488 7122 1 13 . 1 1 10 10 LEU H H 10 8.017 8.017 8.033 -0.016 25488 7123 1 13 . 1 1 11 11 GLN N N 11 119.889 119.889 119.598 0.291 25488 7124 1 13 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.889 0.245 25488 7125 1 13 . 1 1 11 11 GLN H H 11 7.807 7.807 7.921 -0.114 25488 7126 1 13 . 1 1 12 12 TRP N N 12 120.951 120.951 121.618 -0.667 25488 7127 1 13 . 1 1 12 12 TRP H H 12 8.202 8.202 8.412 -0.210 25488 7128 1 13 . 1 1 13 13 GLU N N 13 121.870 121.870 120.874 0.996 25488 7129 1 13 . 1 1 13 13 GLU H H 13 8.436 8.436 7.755 0.681 25488 7130 1 13 . 1 1 14 14 GLN N N 14 120.646 120.646 118.468 2.178 25488 7131 1 13 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.976 0.193 25488 7132 1 13 . 1 1 14 14 GLN H H 14 8.159 8.159 7.651 0.508 25488 7133 1 13 . 1 1 15 15 ALA N N 15 123.216 123.216 121.266 1.950 25488 7134 1 13 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.158 0.180 25488 7135 1 13 . 1 1 15 15 ALA H H 15 8.355 8.355 8.382 -0.027 25488 7136 1 13 . 1 1 16 16 GLN N N 16 117.766 117.766 117.048 0.718 25488 7137 1 13 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.080 -0.375 25488 7138 1 13 . 1 1 16 16 GLN H H 16 8.440 8.440 7.892 0.548 25488 7139 1 13 . 1 1 17 17 ASP N N 17 120.090 120.090 120.495 -0.405 25488 7140 1 13 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.440 0.023 25488 7141 1 13 . 1 1 17 17 ASP H H 17 7.899 7.899 8.270 -0.371 25488 7142 1 13 . 1 1 18 18 TYR N N 18 122.296 122.296 119.277 3.019 25488 7143 1 13 . 1 1 18 18 TYR H H 18 8.264 8.264 8.037 0.227 25488 7144 1 13 . 1 1 19 19 LEU N N 19 117.675 117.675 118.008 -0.333 25488 7145 1 13 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.531 0.594 25488 7146 1 13 . 1 1 19 19 LEU H H 19 8.687 8.687 7.431 1.256 25488 7147 1 13 . 1 1 20 20 LYS N N 20 124.620 124.620 118.052 6.568 25488 7148 1 13 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.153 -0.010 25488 7149 1 13 . 1 1 20 20 LYS H H 20 8.790 8.790 7.421 1.369 25488 7150 1 13 . 1 1 21 21 ARG N N 21 117.608 117.608 118.526 -0.918 25488 7151 1 13 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.101 -0.404 25488 7152 1 13 . 1 1 21 21 ARG H H 21 7.835 7.835 7.376 0.459 25488 7153 1 13 . 1 1 22 22 PHE N N 22 112.136 112.136 116.603 -4.467 25488 7154 1 13 . 1 1 22 22 PHE H H 22 8.003 8.003 7.095 0.908 25488 7155 1 13 . 1 1 23 23 TYR N N 23 116.244 116.244 115.683 0.561 25488 7156 1 13 . 1 1 23 23 TYR H H 23 7.678 7.678 8.168 -0.490 25488 7157 1 13 . 1 1 24 24 LEU N N 24 115.582 115.582 118.368 -2.786 25488 7158 1 13 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.017 0.118 25488 7159 1 13 . 1 1 24 24 LEU H H 24 7.238 7.238 7.599 -0.361 25488 7160 1 13 . 1 1 25 25 TYR N N 25 119.996 119.996 113.810 6.186 25488 7161 1 13 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.843 -0.438 25488 7162 1 13 . 1 1 25 25 TYR H H 25 7.826 7.826 7.305 0.521 25488 7163 1 13 . 1 1 26 26 ASP N N 26 129.292 129.292 121.420 7.872 25488 7164 1 13 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.775 -0.314 25488 7165 1 13 . 1 1 26 26 ASP H H 26 8.121 8.121 8.391 -0.270 25488 7166 1 13 . 1 1 28 28 GLU N N 28 122.115 122.115 121.825 0.290 25488 7167 1 13 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.215 0.066 25488 7168 1 13 . 1 1 28 28 GLU H H 28 8.262 8.262 8.317 -0.055 25488 7169 1 13 . 1 1 29 29 THR N N 29 114.171 114.171 113.063 1.108 25488 7170 1 13 . 1 1 29 29 THR HA H 29 4.222 4.222 4.185 0.037 25488 7171 1 13 . 1 1 29 29 THR H H 29 7.496 7.496 7.447 0.049 25488 7172 1 13 . 1 1 30 30 LYS N N 30 123.019 123.019 121.922 1.097 25488 7173 1 13 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.268 -0.050 25488 7174 1 13 . 1 1 30 30 LYS H H 30 8.154 8.154 7.562 0.592 25488 7175 1 13 . 1 1 32 32 ALA N N 32 126.481 126.481 126.573 -0.092 25488 7176 1 13 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.183 0.067 25488 7177 1 13 . 1 1 32 32 ALA H H 32 8.424 8.424 8.697 -0.273 25488 7178 1 13 . 1 1 33 33 ASN N N 33 116.834 116.834 116.906 -0.072 25488 7179 1 13 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.603 0.095 25488 7180 1 13 . 1 1 33 33 ASN H H 33 8.312 8.312 8.417 -0.105 25488 7181 1 13 . 1 1 34 34 SER N N 34 116.960 116.960 116.151 0.809 25488 7182 1 13 . 1 1 34 34 SER HA H 34 4.522 4.522 4.287 0.235 25488 7183 1 13 . 1 1 34 34 SER H H 34 8.112 8.112 8.665 -0.553 25488 7184 1 13 . 1 1 35 35 LEU N N 35 125.335 125.335 123.376 1.959 25488 7185 1 13 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.064 -0.513 25488 7186 1 13 . 1 1 35 35 LEU H H 35 8.324 8.324 8.384 -0.060 25488 7187 1 13 . 1 1 36 36 GLU N N 36 119.302 119.302 119.687 -0.385 25488 7188 1 13 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.048 -0.105 25488 7189 1 13 . 1 1 36 36 GLU H H 36 8.239 8.239 7.851 0.388 25488 7190 1 13 . 1 1 37 37 ALA N N 37 120.683 120.683 121.065 -0.382 25488 7191 1 13 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.210 -0.163 25488 7192 1 13 . 1 1 37 37 ALA H H 37 7.898 7.898 8.008 -0.110 25488 7193 1 13 . 1 1 38 38 LYS N N 38 119.470 119.470 120.137 -0.667 25488 7194 1 13 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.119 0.214 25488 7195 1 13 . 1 1 38 38 LYS H H 38 8.217 8.217 7.610 0.607 25488 7196 1 13 . 1 1 39 39 LEU N N 39 122.664 122.664 118.843 3.821 25488 7197 1 13 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.202 -0.288 25488 7198 1 13 . 1 1 39 39 LEU H H 39 8.658 8.658 8.351 0.307 25488 7199 1 13 . 1 1 40 40 LYS N N 40 118.301 118.301 118.506 -0.205 25488 7200 1 13 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.113 0.560 25488 7201 1 13 . 1 1 40 40 LYS H H 40 8.221 8.221 7.767 0.454 25488 7202 1 13 . 1 1 41 41 GLU N N 41 121.462 121.462 121.079 0.383 25488 7203 1 13 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.275 -0.207 25488 7204 1 13 . 1 1 41 41 GLU H H 41 7.736 7.736 7.773 -0.037 25488 7205 1 13 . 1 1 42 42 MET N N 42 123.761 123.761 120.360 3.401 25488 7206 1 13 . 1 1 42 42 MET HA H 42 4.046 4.046 4.209 -0.163 25488 7207 1 13 . 1 1 42 42 MET H H 42 7.672 7.672 8.533 -0.861 25488 7208 1 13 . 1 1 43 43 GLN N N 43 120.035 120.035 118.101 1.934 25488 7209 1 13 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.863 -0.067 25488 7210 1 13 . 1 1 43 43 GLN H H 43 8.904 8.904 8.168 0.736 25488 7211 1 13 . 1 1 44 44 LYS N N 44 119.131 119.131 119.649 -0.518 25488 7212 1 13 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.213 -0.161 25488 7213 1 13 . 1 1 44 44 LYS H H 44 8.511 8.511 7.819 0.692 25488 7214 1 13 . 1 1 45 45 PHE N N 45 123.544 123.544 119.759 3.785 25488 7215 1 13 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.415 -0.565 25488 7216 1 13 . 1 1 45 45 PHE H H 45 8.438 8.438 8.634 -0.196 25488 7217 1 13 . 1 1 46 46 PHE N N 46 112.789 112.789 115.843 -3.054 25488 7218 1 13 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.705 -0.123 25488 7219 1 13 . 1 1 46 46 PHE H H 46 8.273 8.273 8.445 -0.172 25488 7220 1 13 . 1 1 47 47 GLY N N 47 110.408 110.408 107.846 2.562 25488 7221 1 13 . 1 1 47 47 GLY H H 47 7.922 7.922 7.746 0.176 25488 7222 1 13 . 1 1 48 48 LEU N N 48 121.853 121.853 122.090 -0.237 25488 7223 1 13 . 1 1 48 48 LEU H H 48 8.747 8.747 7.710 1.037 25488 7224 1 13 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.514 -0.313 25488 7225 1 13 . 1 1 50 50 ILE N N 50 127.000 127.000 118.906 8.094 25488 7226 1 13 . 1 1 50 50 ILE H H 50 8.529 8.529 7.292 1.237 25488 7227 1 13 . 1 1 51 51 THR N N 51 116.519 116.519 115.952 0.567 25488 7228 1 13 . 1 1 51 51 THR H H 51 7.980 7.980 8.359 -0.379 25488 7229 1 13 . 1 1 52 52 GLY N N 52 112.725 112.725 115.101 -2.376 25488 7230 1 13 . 1 1 52 52 GLY H H 52 9.483 9.483 9.283 0.200 25488 7231 1 13 . 1 1 53 53 MET N N 53 116.735 116.735 120.224 -3.489 25488 7232 1 13 . 1 1 53 53 MET HA H 53 4.044 4.044 4.675 -0.631 25488 7233 1 13 . 1 1 53 53 MET H H 53 7.969 7.969 9.093 -1.124 25488 7234 1 13 . 1 1 54 54 LEU N N 54 122.602 122.602 126.122 -3.520 25488 7235 1 13 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.661 -0.955 25488 7236 1 13 . 1 1 54 54 LEU H H 54 7.926 7.926 8.373 -0.447 25488 7237 1 13 . 1 1 55 55 ASN N N 55 115.755 115.755 120.084 -4.329 25488 7238 1 13 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.083 -0.343 25488 7239 1 13 . 1 1 55 55 ASN H H 55 6.555 6.555 8.453 -1.898 25488 7240 1 13 . 1 1 56 56 SER N N 56 121.450 121.450 119.737 1.713 25488 7241 1 13 . 1 1 56 56 SER HA H 56 4.662 4.662 4.196 0.466 25488 7242 1 13 . 1 1 56 56 SER H H 56 8.205 8.205 8.968 -0.763 25488 7243 1 13 . 1 1 57 57 ARG N N 57 123.219 123.219 123.140 0.079 25488 7244 1 13 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.972 0.234 25488 7245 1 13 . 1 1 57 57 ARG H H 57 7.883 7.883 7.732 0.151 25488 7246 1 13 . 1 1 58 58 VAL N N 58 118.843 118.843 117.329 1.514 25488 7247 1 13 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.582 -0.282 25488 7248 1 13 . 1 1 58 58 VAL H H 58 7.594 7.594 8.095 -0.501 25488 7249 1 13 . 1 1 59 59 ILE N N 59 119.212 119.212 119.503 -0.291 25488 7250 1 13 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.307 0.162 25488 7251 1 13 . 1 1 59 59 ILE H H 59 7.326 7.326 6.905 0.421 25488 7252 1 13 . 1 1 60 60 GLU N N 60 119.544 119.544 119.966 -0.422 25488 7253 1 13 . 1 1 60 60 GLU H H 60 7.880 7.880 7.455 0.425 25488 7254 1 13 . 1 1 61 61 ILE N N 61 118.812 118.812 114.030 4.782 25488 7255 1 13 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.623 -0.181 25488 7256 1 13 . 1 1 61 61 ILE H H 61 7.217 7.217 7.246 -0.029 25488 7257 1 13 . 1 1 62 62 MET N N 62 120.202 120.202 118.130 2.072 25488 7258 1 13 . 1 1 62 62 MET HA H 62 3.419 3.419 4.190 -0.771 25488 7259 1 13 . 1 1 62 62 MET H H 62 7.820 7.820 7.221 0.599 25488 7260 1 13 . 1 1 63 63 GLN N N 63 116.274 116.274 114.673 1.601 25488 7261 1 13 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.477 -0.236 25488 7262 1 13 . 1 1 63 63 GLN H H 63 7.442 7.442 7.720 -0.278 25488 7263 1 13 . 1 1 64 64 LYS N N 64 121.450 121.450 122.048 -0.598 25488 7264 1 13 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.460 0.039 25488 7265 1 13 . 1 1 64 64 LYS H H 64 7.474 7.474 7.232 0.242 25488 7266 1 13 . 1 1 66 66 ARG N N 66 113.173 113.173 120.172 -6.999 25488 7267 1 13 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.372 0.067 25488 7268 1 13 . 1 1 66 66 ARG H H 66 8.151 8.151 8.208 -0.057 25488 7269 1 13 . 1 1 67 67 CYS N N 67 121.794 121.794 117.838 3.956 25488 7270 1 13 . 1 1 67 67 CYS HA H 67 4.420 4.420 5.074 -0.654 25488 7271 1 13 . 1 1 67 67 CYS H H 67 7.709 7.709 8.170 -0.461 25488 7272 1 13 . 1 1 68 68 GLY N N 68 116.255 116.255 109.568 6.687 25488 7273 1 13 . 1 1 68 68 GLY H H 68 9.707 9.707 8.512 1.195 25488 7274 1 13 . 1 1 69 69 VAL N N 69 126.541 126.541 113.944 12.597 25488 7275 1 13 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.339 -0.532 25488 7276 1 13 . 1 1 69 69 VAL H H 69 9.118 9.118 6.862 2.256 25488 7277 1 13 . 1 1 71 71 ASP N N 71 119.114 119.114 124.420 -5.306 25488 7278 1 13 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.616 -0.133 25488 7279 1 13 . 1 1 71 71 ASP H H 71 8.067 8.067 8.594 -0.527 25488 7280 1 13 . 1 1 72 72 VAL N N 72 112.988 112.988 117.708 -4.720 25488 7281 1 13 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.320 -0.039 25488 7282 1 13 . 1 1 72 72 VAL H H 72 6.438 6.438 6.932 -0.494 25488 7283 1 13 . 1 1 73 73 ALA N N 73 125.902 125.902 125.238 0.664 25488 7284 1 13 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.236 0.031 25488 7285 1 13 . 1 1 73 73 ALA H H 73 8.171 8.171 8.423 -0.252 25488 7286 1 13 . 1 1 74 74 GLU N N 74 120.835 120.835 123.764 -2.929 25488 7287 1 13 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.357 -0.274 25488 7288 1 13 . 1 1 74 74 GLU H H 74 8.385 8.385 7.773 0.612 25488 7289 1 13 . 1 1 75 75 TYR N N 75 121.820 121.820 120.306 1.514 25488 7290 1 13 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.344 0.050 25488 7291 1 13 . 1 1 75 75 TYR H H 75 8.102 8.102 8.898 -0.796 25488 7292 1 13 . 1 1 76 76 SER N N 76 117.881 117.881 113.992 3.889 25488 7293 1 13 . 1 1 76 76 SER H H 76 7.718 7.718 8.727 -1.009 25488 7294 1 13 . 1 1 77 77 LEU N N 77 123.835 123.835 121.370 2.465 25488 7295 1 13 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.765 -0.673 25488 7296 1 13 . 1 1 77 77 LEU H H 77 8.033 8.033 8.029 0.004 25488 7297 1 13 . 1 1 78 78 PHE N N 78 118.893 118.893 123.471 -4.578 25488 7298 1 13 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.771 0.074 25488 7299 1 13 . 1 1 78 78 PHE H H 78 7.822 7.822 8.649 -0.827 25488 7300 1 13 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.145 0.186 25488 7301 1 13 . 1 1 80 80 ASN N N 80 118.184 118.184 121.403 -3.219 25488 7302 1 13 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.584 0.096 25488 7303 1 13 . 1 1 80 80 ASN H H 80 8.106 8.106 8.224 -0.118 25488 7304 1 13 . 1 1 81 81 SER HA H 81 4.636 4.636 4.552 0.084 25488 7305 1 13 . 1 1 83 83 LYS N N 83 114.696 114.696 118.401 -3.705 25488 7306 1 13 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.447 -0.224 25488 7307 1 13 . 1 1 83 83 LYS H H 83 7.361 7.361 7.824 -0.463 25488 7308 1 13 . 1 1 84 84 TRP N N 84 122.459 122.459 120.730 1.729 25488 7309 1 13 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.940 -0.937 25488 7310 1 13 . 1 1 84 84 TRP H H 84 8.020 8.020 8.269 -0.249 25488 7311 1 13 . 1 1 85 85 THR N N 85 113.482 113.482 115.913 -2.431 25488 7312 1 13 . 1 1 85 85 THR HA H 85 4.586 4.586 4.361 0.225 25488 7313 1 13 . 1 1 85 85 THR H H 85 8.833 8.833 8.460 0.373 25488 7314 1 13 . 1 1 86 86 SER N N 86 117.316 117.316 114.615 2.701 25488 7315 1 13 . 1 1 86 86 SER HA H 86 4.665 4.665 4.678 -0.013 25488 7316 1 13 . 1 1 86 86 SER H H 86 7.724 7.724 7.667 0.057 25488 7317 1 13 . 1 1 87 87 LYS N N 87 120.411 120.411 121.882 -1.471 25488 7318 1 13 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.381 -0.242 25488 7319 1 13 . 1 1 87 87 LYS H H 87 8.312 8.312 8.593 -0.281 25488 7320 1 13 . 1 1 88 88 VAL N N 88 117.674 117.674 121.088 -3.414 25488 7321 1 13 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.348 0.303 25488 7322 1 13 . 1 1 88 88 VAL H H 88 7.425 7.425 7.351 0.074 25488 7323 1 13 . 1 1 89 89 VAL N N 89 131.493 131.493 128.656 2.837 25488 7324 1 13 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.373 -0.232 25488 7325 1 13 . 1 1 89 89 VAL H H 89 8.574 8.574 8.908 -0.334 25488 7326 1 13 . 1 1 90 90 THR N N 90 118.245 118.245 118.372 -0.127 25488 7327 1 13 . 1 1 90 90 THR HA H 90 5.627 5.627 5.166 0.461 25488 7328 1 13 . 1 1 90 90 THR H H 90 9.021 9.021 9.175 -0.154 25488 7329 1 13 . 1 1 91 91 TYR N N 91 118.267 118.267 121.313 -3.046 25488 7330 1 13 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.524 0.150 25488 7331 1 13 . 1 1 91 91 TYR H H 91 8.555 8.555 9.393 -0.838 25488 7332 1 13 . 1 1 92 92 ARG N N 92 120.260 120.260 122.777 -2.517 25488 7333 1 13 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.967 -0.321 25488 7334 1 13 . 1 1 92 92 ARG H H 92 8.513 8.513 8.318 0.195 25488 7335 1 13 . 1 1 93 93 ILE N N 93 128.361 128.361 126.098 2.263 25488 7336 1 13 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.623 -0.004 25488 7337 1 13 . 1 1 93 93 ILE H H 93 8.878 8.878 8.787 0.091 25488 7338 1 13 . 1 1 94 94 VAL N N 94 126.374 126.374 127.005 -0.631 25488 7339 1 13 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.308 -0.308 25488 7340 1 13 . 1 1 94 94 VAL H H 94 9.492 9.492 9.127 0.365 25488 7341 1 13 . 1 1 95 95 SER N N 95 113.303 113.303 114.298 -0.995 25488 7342 1 13 . 1 1 95 95 SER HA H 95 4.705 4.705 4.933 -0.228 25488 7343 1 13 . 1 1 95 95 SER H H 95 7.431 7.431 7.715 -0.284 25488 7344 1 13 . 1 1 96 96 TYR N N 96 117.054 117.054 119.295 -2.241 25488 7345 1 13 . 1 1 96 96 TYR H H 96 8.255 8.255 8.058 0.197 25488 7346 1 13 . 1 1 98 98 ARG N N 98 128.445 128.445 124.928 3.517 25488 7347 1 13 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.059 0.279 25488 7348 1 13 . 1 1 98 98 ARG H H 98 8.964 8.964 8.402 0.562 25488 7349 1 13 . 1 1 99 99 ASP N N 99 120.412 120.412 118.695 1.717 25488 7350 1 13 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.498 -0.163 25488 7351 1 13 . 1 1 99 99 ASP H H 99 8.695 8.695 8.504 0.191 25488 7352 1 13 . 1 1 100 100 LEU N N 100 116.851 116.851 120.417 -3.566 25488 7353 1 13 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.841 0.092 25488 7354 1 13 . 1 1 100 100 LEU H H 100 6.902 6.902 7.484 -0.582 25488 7355 1 13 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.703 0.464 25488 7356 1 13 . 1 1 103 103 ILE N N 103 115.469 115.469 113.902 1.567 25488 7357 1 13 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.784 0.389 25488 7358 1 13 . 1 1 103 103 ILE H H 103 8.296 8.296 8.113 0.183 25488 7359 1 13 . 1 1 104 104 THR N N 104 119.413 119.413 112.887 6.526 25488 7360 1 13 . 1 1 104 104 THR HA H 104 4.019 4.019 4.100 -0.081 25488 7361 1 13 . 1 1 104 104 THR H H 104 6.915 6.915 7.645 -0.730 25488 7362 1 13 . 1 1 105 105 VAL N N 105 123.232 123.232 121.737 1.495 25488 7363 1 13 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.717 -0.303 25488 7364 1 13 . 1 1 105 105 VAL H H 105 7.379 7.379 7.447 -0.068 25488 7365 1 13 . 1 1 106 106 ASP N N 106 120.160 120.160 119.590 0.570 25488 7366 1 13 . 1 1 106 106 ASP H H 106 8.615 8.615 8.189 0.426 25488 7367 1 13 . 1 1 107 107 ARG N N 107 121.041 121.041 118.098 2.943 25488 7368 1 13 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.164 -0.074 25488 7369 1 13 . 1 1 107 107 ARG H H 107 8.372 8.372 7.564 0.808 25488 7370 1 13 . 1 1 108 108 LEU N N 108 121.644 121.644 119.652 1.992 25488 7371 1 13 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.143 0.110 25488 7372 1 13 . 1 1 108 108 LEU H H 108 8.768 8.768 8.065 0.703 25488 7373 1 13 . 1 1 109 109 VAL N N 109 120.347 120.347 115.844 4.503 25488 7374 1 13 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.556 -0.185 25488 7375 1 13 . 1 1 109 109 VAL H H 109 8.762 8.762 8.513 0.249 25488 7376 1 13 . 1 1 110 110 SER N N 110 112.949 112.949 117.750 -4.801 25488 7377 1 13 . 1 1 110 110 SER HA H 110 4.270 4.270 4.015 0.255 25488 7378 1 13 . 1 1 110 110 SER H H 110 7.605 7.605 8.010 -0.405 25488 7379 1 13 . 1 1 111 111 LYS N N 111 122.434 122.434 121.505 0.929 25488 7380 1 13 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.987 0.055 25488 7381 1 13 . 1 1 111 111 LYS H H 111 8.146 8.146 8.078 0.068 25488 7382 1 13 . 1 1 112 112 ALA N N 112 124.099 124.099 122.586 1.513 25488 7383 1 13 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.005 0.073 25488 7384 1 13 . 1 1 112 112 ALA H H 112 8.270 8.270 7.158 1.112 25488 7385 1 13 . 1 1 113 113 LEU N N 113 116.251 116.251 119.195 -2.944 25488 7386 1 13 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.677 0.045 25488 7387 1 13 . 1 1 113 113 LEU H H 113 8.019 8.019 8.079 -0.060 25488 7388 1 13 . 1 1 114 114 ASN N N 114 116.659 116.659 116.288 0.371 25488 7389 1 13 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.510 0.019 25488 7390 1 13 . 1 1 114 114 ASN H H 114 8.197 8.197 8.415 -0.218 25488 7391 1 13 . 1 1 115 115 MET N N 115 122.118 122.118 119.238 2.880 25488 7392 1 13 . 1 1 115 115 MET HA H 115 4.013 4.013 4.030 -0.017 25488 7393 1 13 . 1 1 115 115 MET H H 115 7.918 7.918 7.369 0.549 25488 7394 1 13 . 1 1 116 116 TRP N N 116 117.117 117.117 116.409 0.708 25488 7395 1 13 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.776 -0.266 25488 7396 1 13 . 1 1 116 116 TRP H H 116 6.773 6.773 7.271 -0.498 25488 7397 1 13 . 1 1 117 117 GLY N N 117 104.656 104.656 108.453 -3.797 25488 7398 1 13 . 1 1 117 117 GLY H H 117 9.305 9.305 8.201 1.104 25488 7399 1 13 . 1 1 118 118 LYS N N 118 118.567 118.567 119.619 -1.052 25488 7400 1 13 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.268 -0.091 25488 7401 1 13 . 1 1 118 118 LYS H H 118 7.947 7.947 7.839 0.108 25488 7402 1 13 . 1 1 119 119 GLU N N 119 113.899 113.899 119.204 -5.305 25488 7403 1 13 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.325 0.483 25488 7404 1 13 . 1 1 119 119 GLU H H 119 7.773 7.773 8.068 -0.295 25488 7405 1 13 . 1 1 120 120 ILE N N 120 111.215 111.215 118.734 -7.519 25488 7406 1 13 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.832 0.489 25488 7407 1 13 . 1 1 120 120 ILE H H 120 7.528 7.528 8.195 -0.667 25488 7408 1 13 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.637 -0.016 25488 7409 1 13 . 1 1 122 122 LEU N N 122 121.481 121.481 123.290 -1.809 25488 7410 1 13 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.271 0.020 25488 7411 1 13 . 1 1 122 122 LEU H H 122 6.815 6.815 8.292 -1.477 25488 7412 1 13 . 1 1 123 123 HIS N N 123 120.769 120.769 121.419 -0.650 25488 7413 1 13 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.539 0.053 25488 7414 1 13 . 1 1 123 123 HIS H H 123 7.709 7.709 8.755 -1.046 25488 7415 1 13 . 1 1 124 124 PHE N N 124 120.530 120.530 121.360 -0.830 25488 7416 1 13 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.235 0.577 25488 7417 1 13 . 1 1 124 124 PHE H H 124 8.306 8.306 8.659 -0.353 25488 7418 1 13 . 1 1 125 125 ARG N N 125 123.891 123.891 124.787 -0.896 25488 7419 1 13 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.798 -0.145 25488 7420 1 13 . 1 1 125 125 ARG H H 125 8.408 8.408 8.924 -0.516 25488 7421 1 13 . 1 1 126 126 LYS N N 126 130.178 130.178 127.023 3.155 25488 7422 1 13 . 1 1 126 126 LYS HA H 126 3.361 3.361 4.001 -0.640 25488 7423 1 13 . 1 1 126 126 LYS H H 126 8.468 8.468 8.637 -0.169 25488 7424 1 13 . 1 1 127 127 VAL N N 127 125.180 125.180 126.122 -0.942 25488 7425 1 13 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.084 0.424 25488 7426 1 13 . 1 1 127 127 VAL H H 127 8.679 8.679 8.401 0.278 25488 7427 1 13 . 1 1 128 128 VAL N N 128 117.584 117.584 116.982 0.602 25488 7428 1 13 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.407 -0.121 25488 7429 1 13 . 1 1 128 128 VAL H H 128 8.469 8.469 8.036 0.433 25488 7430 1 13 . 1 1 129 129 TRP N N 129 119.805 119.805 118.617 1.188 25488 7431 1 13 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.938 -0.252 25488 7432 1 13 . 1 1 129 129 TRP H H 129 7.447 7.447 7.400 0.047 25488 7433 1 13 . 1 1 130 130 GLY N N 130 109.844 109.844 111.687 -1.843 25488 7434 1 13 . 1 1 130 130 GLY H H 130 8.072 8.072 8.321 -0.249 25488 7435 1 13 . 1 1 131 131 THR N N 131 116.125 116.125 111.824 4.301 25488 7436 1 13 . 1 1 131 131 THR HA H 131 4.123 4.123 4.268 -0.145 25488 7437 1 13 . 1 1 131 131 THR H H 131 8.196 8.196 8.246 -0.050 25488 7438 1 13 . 1 1 132 132 ALA N N 132 129.613 129.613 128.302 1.311 25488 7439 1 13 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.502 0.009 25488 7440 1 13 . 1 1 132 132 ALA H H 132 7.919 7.919 8.214 -0.295 25488 7441 1 13 . 1 1 133 133 ASP N N 133 123.004 123.004 123.488 -0.484 25488 7442 1 13 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.445 -0.003 25488 7443 1 13 . 1 1 133 133 ASP H H 133 8.248 8.248 8.279 -0.031 25488 7444 1 13 . 1 1 134 134 ILE N N 134 125.478 125.478 120.910 4.568 25488 7445 1 13 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.372 -0.279 25488 7446 1 13 . 1 1 134 134 ILE H H 134 8.804 8.804 7.791 1.013 25488 7447 1 13 . 1 1 135 135 MET N N 135 127.471 127.471 127.396 0.075 25488 7448 1 13 . 1 1 135 135 MET HA H 135 5.194 5.194 5.082 0.112 25488 7449 1 13 . 1 1 135 135 MET H H 135 7.437 7.437 9.540 -2.103 25488 7450 1 13 . 1 1 136 136 ILE N N 136 125.040 125.040 125.075 -0.035 25488 7451 1 13 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.140 0.437 25488 7452 1 13 . 1 1 136 136 ILE H H 136 9.085 9.085 9.218 -0.133 25488 7453 1 13 . 1 1 137 137 GLY N N 137 112.059 112.059 113.711 -1.652 25488 7454 1 13 . 1 1 137 137 GLY H H 137 8.568 8.568 9.066 -0.498 25488 7455 1 13 . 1 1 138 138 PHE N N 138 119.447 119.447 119.783 -0.336 25488 7456 1 13 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.215 0.239 25488 7457 1 13 . 1 1 138 138 PHE H H 138 7.861 7.861 8.362 -0.501 25488 7458 1 13 . 1 1 139 139 ALA N N 139 123.657 123.657 124.222 -0.565 25488 7459 1 13 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.695 0.040 25488 7460 1 13 . 1 1 139 139 ALA H H 139 8.939 8.939 9.216 -0.277 25488 7461 1 13 . 1 1 140 140 ARG N N 140 118.688 118.688 121.091 -2.403 25488 7462 1 13 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.711 0.363 25488 7463 1 13 . 1 1 140 140 ARG H H 140 8.563 8.563 8.764 -0.201 25488 7464 1 13 . 1 1 141 141 GLY N N 141 108.964 108.964 111.090 -2.126 25488 7465 1 13 . 1 1 141 141 GLY H H 141 9.018 9.018 9.310 -0.292 25488 7466 1 13 . 1 1 143 143 HIS N N 143 120.218 120.218 113.877 6.341 25488 7467 1 13 . 1 1 143 143 HIS H H 143 8.998 8.998 7.722 1.276 25488 7468 1 13 . 1 1 145 145 ASP N N 145 117.684 117.684 121.897 -4.213 25488 7469 1 13 . 1 1 145 145 ASP HA H 145 4.700 4.700 5.035 -0.335 25488 7470 1 13 . 1 1 145 145 ASP H H 145 7.088 7.088 7.752 -0.664 25488 7471 1 13 . 1 1 146 146 SER HA H 146 4.140 4.140 4.224 -0.084 25488 7472 1 13 . 1 1 146 146 SER H H 146 8.220 8.220 8.545 -0.325 25488 7473 1 13 . 1 1 147 147 TYR N N 147 120.867 120.867 115.807 5.060 25488 7474 1 13 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.215 0.573 25488 7475 1 13 . 1 1 147 147 TYR H H 147 7.459 7.459 8.176 -0.717 25488 7476 1 13 . 1 1 149 149 PHE N N 149 120.630 120.630 121.038 -0.408 25488 7477 1 13 . 1 1 149 149 PHE H H 149 8.018 8.018 8.396 -0.378 25488 7478 1 13 . 1 1 150 150 ASP N N 150 115.626 115.626 117.404 -1.778 25488 7479 1 13 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.061 0.782 25488 7480 1 13 . 1 1 150 150 ASP H H 150 7.543 7.543 7.149 0.394 25488 7481 1 13 . 1 1 151 151 GLY N N 151 110.700 110.700 106.960 3.740 25488 7482 1 13 . 1 1 151 151 GLY H H 151 9.074 9.074 8.318 0.756 25488 7483 1 13 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.317 -0.291 25488 7484 1 13 . 1 1 153 153 GLY N N 153 118.786 118.786 114.858 3.928 25488 7485 1 13 . 1 1 153 153 GLY H H 153 11.385 11.385 8.838 2.547 25488 7486 1 13 . 1 1 154 154 ASN N N 154 120.613 120.613 118.594 2.019 25488 7487 1 13 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.274 -0.076 25488 7488 1 13 . 1 1 154 154 ASN H H 154 9.225 9.225 8.403 0.822 25488 7489 1 13 . 1 1 155 155 THR N N 155 118.700 118.700 114.382 4.318 25488 7490 1 13 . 1 1 155 155 THR HA H 155 5.542 5.542 4.350 1.192 25488 7491 1 13 . 1 1 155 155 THR H H 155 9.519 9.519 8.342 1.177 25488 7492 1 13 . 1 1 156 156 LEU N N 156 122.765 122.765 117.966 4.799 25488 7493 1 13 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.002 -0.060 25488 7494 1 13 . 1 1 156 156 LEU H H 156 8.500 8.500 8.233 0.267 25488 7495 1 13 . 1 1 157 157 ALA N N 157 115.545 115.545 119.824 -4.279 25488 7496 1 13 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.656 0.351 25488 7497 1 13 . 1 1 157 157 ALA H H 157 7.545 7.545 7.570 -0.025 25488 7498 1 13 . 1 1 158 158 HIS N N 158 111.868 111.868 115.105 -3.237 25488 7499 1 13 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.704 -0.087 25488 7500 1 13 . 1 1 158 158 HIS H H 158 8.774 8.774 8.520 0.254 25488 7501 1 13 . 1 1 159 159 ALA N N 159 118.565 118.565 125.873 -7.308 25488 7502 1 13 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.970 -0.313 25488 7503 1 13 . 1 1 159 159 ALA H H 159 6.114 6.114 8.146 -2.032 25488 7504 1 13 . 1 1 160 160 PHE N N 160 118.042 118.042 121.730 -3.688 25488 7505 1 13 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.888 -0.407 25488 7506 1 13 . 1 1 160 160 PHE H H 160 7.897 7.897 8.782 -0.885 25488 7507 1 13 . 1 1 161 161 ALA N N 161 123.548 123.548 124.234 -0.686 25488 7508 1 13 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.691 -0.208 25488 7509 1 13 . 1 1 161 161 ALA H H 161 8.089 8.089 8.632 -0.543 25488 7510 1 13 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.390 -0.519 25488 7511 1 13 . 1 1 163 163 GLY N N 163 107.255 107.255 107.866 -0.611 25488 7512 1 13 . 1 1 163 163 GLY H H 163 5.992 5.992 7.206 -1.214 25488 7513 1 13 . 1 1 165 165 GLY H H 165 9.149 9.149 7.978 1.171 25488 7514 1 13 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.306 -0.153 25488 7515 1 13 . 1 1 167 167 GLY N N 167 103.338 103.338 104.905 -1.567 25488 7516 1 13 . 1 1 167 167 GLY H H 167 7.774 7.774 7.266 0.508 25488 7517 1 13 . 1 1 168 168 GLY N N 168 121.031 121.031 110.161 10.870 25488 7518 1 13 . 1 1 168 168 GLY H H 168 7.685 7.685 8.621 -0.936 25488 7519 1 13 . 1 1 169 169 ASP N N 169 123.703 123.703 123.141 0.562 25488 7520 1 13 . 1 1 169 169 ASP H H 169 8.578 8.578 7.490 1.088 25488 7521 1 13 . 1 1 170 170 ALA N N 170 119.569 119.569 120.403 -0.834 25488 7522 1 13 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.725 -0.021 25488 7523 1 13 . 1 1 170 170 ALA H H 170 8.371 8.371 8.857 -0.486 25488 7524 1 13 . 1 1 171 171 HIS N N 171 120.286 120.286 121.372 -1.086 25488 7525 1 13 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.406 0.324 25488 7526 1 13 . 1 1 171 171 HIS H H 171 8.513 8.513 8.123 0.390 25488 7527 1 13 . 1 1 172 172 PHE N N 172 120.919 120.919 121.793 -0.874 25488 7528 1 13 . 1 1 172 172 PHE H H 172 8.457 8.457 8.633 -0.176 25488 7529 1 13 . 1 1 173 173 ASP N N 173 123.993 123.993 121.540 2.453 25488 7530 1 13 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.211 -1.315 25488 7531 1 13 . 1 1 173 173 ASP H H 173 7.915 7.915 8.652 -0.737 25488 7532 1 13 . 1 1 174 174 GLU N N 174 132.684 132.684 126.307 6.377 25488 7533 1 13 . 1 1 174 174 GLU H H 174 9.461 9.461 8.520 0.941 25488 7534 1 13 . 1 1 175 175 ASP N N 175 117.313 117.313 119.462 -2.149 25488 7535 1 13 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.824 -0.027 25488 7536 1 13 . 1 1 175 175 ASP H H 175 8.756 8.756 9.148 -0.392 25488 7537 1 13 . 1 1 176 176 GLU N N 176 116.511 116.511 120.329 -3.818 25488 7538 1 13 . 1 1 176 176 GLU H H 176 7.154 7.154 7.919 -0.765 25488 7539 1 13 . 1 1 177 177 ARG N N 177 121.920 121.920 122.120 -0.200 25488 7540 1 13 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.511 0.114 25488 7541 1 13 . 1 1 177 177 ARG H H 177 7.555 7.555 8.186 -0.631 25488 7542 1 13 . 1 1 178 178 TRP N N 178 129.182 129.182 123.717 5.465 25488 7543 1 13 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.659 -0.546 25488 7544 1 13 . 1 1 178 178 TRP H H 178 8.788 8.788 8.566 0.222 25488 7545 1 13 . 1 1 179 179 THR N N 179 112.874 112.874 112.750 0.124 25488 7546 1 13 . 1 1 179 179 THR HA H 179 5.015 5.015 4.699 0.316 25488 7547 1 13 . 1 1 179 179 THR H H 179 8.946 8.946 8.425 0.521 25488 7548 1 13 . 1 1 180 180 ASP N N 180 121.969 121.969 123.788 -1.819 25488 7549 1 13 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.808 -0.386 25488 7550 1 13 . 1 1 180 180 ASP H H 180 8.478 8.478 8.853 -0.375 25488 7551 1 13 . 1 1 181 181 GLY N N 181 110.059 110.059 109.544 0.515 25488 7552 1 13 . 1 1 181 181 GLY H H 181 8.572 8.572 8.082 0.490 25488 7553 1 13 . 1 1 182 182 SER N N 182 115.564 115.564 116.332 -0.768 25488 7554 1 13 . 1 1 182 182 SER HA H 182 4.599 4.599 4.290 0.309 25488 7555 1 13 . 1 1 182 182 SER H H 182 8.173 8.173 7.979 0.194 25488 7556 1 13 . 1 1 183 183 SER N N 183 117.066 117.066 113.252 3.814 25488 7557 1 13 . 1 1 183 183 SER H H 183 7.819 7.819 8.675 -0.856 25488 7558 1 13 . 1 1 184 184 LEU N N 184 121.954 121.954 117.393 4.561 25488 7559 1 13 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.706 -0.344 25488 7560 1 13 . 1 1 184 184 LEU H H 184 8.104 8.104 7.347 0.757 25488 7561 1 13 . 1 1 185 185 GLY N N 185 108.989 108.989 107.781 1.208 25488 7562 1 13 . 1 1 185 185 GLY H H 185 7.954 7.954 7.614 0.340 25488 7563 1 13 . 1 1 186 186 ILE N N 186 123.084 123.084 120.217 2.867 25488 7564 1 13 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.168 -0.389 25488 7565 1 13 . 1 1 186 186 ILE H H 186 8.878 8.878 8.195 0.683 25488 7566 1 13 . 1 1 187 187 ASN N N 187 126.999 126.999 122.072 4.927 25488 7567 1 13 . 1 1 187 187 ASN HA H 187 4.396 4.396 5.106 -0.710 25488 7568 1 13 . 1 1 187 187 ASN H H 187 8.575 8.575 8.622 -0.047 25488 7569 1 13 . 1 1 188 188 PHE N N 188 129.819 129.819 128.624 1.195 25488 7570 1 13 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.313 0.278 25488 7571 1 13 . 1 1 188 188 PHE H H 188 9.365 9.365 8.305 1.060 25488 7572 1 13 . 1 1 189 189 LEU N N 189 119.292 119.292 121.448 -2.156 25488 7573 1 13 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.804 0.029 25488 7574 1 13 . 1 1 189 189 LEU H H 189 8.551 8.551 7.886 0.665 25488 7575 1 13 . 1 1 191 191 ALA N N 191 120.347 120.347 122.232 -1.885 25488 7576 1 13 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.022 0.275 25488 7577 1 13 . 1 1 191 191 ALA H H 191 7.973 7.973 7.758 0.215 25488 7578 1 13 . 1 1 192 192 ALA N N 192 121.365 121.365 119.675 1.690 25488 7579 1 13 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.174 -0.157 25488 7580 1 13 . 1 1 192 192 ALA H H 192 9.258 9.258 7.834 1.424 25488 7581 1 13 . 1 1 193 193 THR N N 193 117.027 117.027 114.421 2.606 25488 7582 1 13 . 1 1 193 193 THR HA H 193 3.825 3.825 4.048 -0.223 25488 7583 1 13 . 1 1 193 193 THR H H 193 8.209 8.209 7.792 0.417 25488 7584 1 13 . 1 1 194 194 HIS N N 194 120.231 120.231 120.843 -0.612 25488 7585 1 13 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.449 -0.216 25488 7586 1 13 . 1 1 194 194 HIS H H 194 7.805 7.805 7.830 -0.025 25488 7587 1 13 . 1 1 195 195 ALA N N 195 121.346 121.346 123.251 -1.905 25488 7588 1 13 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.238 -0.058 25488 7589 1 13 . 1 1 195 195 ALA H H 195 8.693 8.693 7.592 1.101 25488 7590 1 13 . 1 1 196 196 LEU N N 196 114.951 114.951 115.600 -0.649 25488 7591 1 13 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.378 -0.220 25488 7592 1 13 . 1 1 196 196 LEU H H 196 8.714 8.714 8.902 -0.188 25488 7593 1 13 . 1 1 197 197 GLY N N 197 107.954 107.954 108.436 -0.482 25488 7594 1 13 . 1 1 197 197 GLY H H 197 7.540 7.540 7.802 -0.262 25488 7595 1 13 . 1 1 198 198 HIS N N 198 121.996 121.996 121.206 0.790 25488 7596 1 13 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.341 0.468 25488 7597 1 13 . 1 1 198 198 HIS H H 198 7.205 7.205 7.844 -0.639 25488 7598 1 13 . 1 1 199 199 SER N N 199 118.570 118.570 115.018 3.552 25488 7599 1 13 . 1 1 199 199 SER HA H 199 4.448 4.448 4.537 -0.089 25488 7600 1 13 . 1 1 199 199 SER H H 199 7.886 7.886 7.900 -0.014 25488 7601 1 13 . 1 1 200 200 LEU N N 200 114.779 114.779 118.093 -3.314 25488 7602 1 13 . 1 1 200 200 LEU H H 200 7.106 7.106 7.432 -0.326 25488 7603 1 13 . 1 1 201 201 GLY N N 201 108.350 108.350 105.753 2.597 25488 7604 1 13 . 1 1 201 201 GLY H H 201 8.213 8.213 7.751 0.462 25488 7605 1 13 . 1 1 202 202 MET N N 202 119.623 119.623 120.488 -0.865 25488 7606 1 13 . 1 1 202 202 MET HA H 202 4.484 4.484 4.451 0.033 25488 7607 1 13 . 1 1 202 202 MET H H 202 8.189 8.189 7.374 0.815 25488 7608 1 13 . 1 1 203 203 GLY N N 203 109.770 109.770 108.923 0.847 25488 7609 1 13 . 1 1 203 203 GLY H H 203 8.413 8.413 8.271 0.142 25488 7610 1 13 . 1 1 204 204 HIS N N 204 115.793 115.793 117.819 -2.026 25488 7611 1 13 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.661 0.713 25488 7612 1 13 . 1 1 204 204 HIS H H 204 8.383 8.383 8.366 0.017 25488 7613 1 13 . 1 1 205 205 SER N N 205 115.497 115.497 114.700 0.797 25488 7614 1 13 . 1 1 205 205 SER HA H 205 4.721 4.721 4.789 -0.068 25488 7615 1 13 . 1 1 205 205 SER H H 205 7.223 7.223 8.655 -1.432 25488 7616 1 13 . 1 1 206 206 SER N N 206 119.268 119.268 119.132 0.136 25488 7617 1 13 . 1 1 206 206 SER HA H 206 3.721 3.721 4.730 -1.009 25488 7618 1 13 . 1 1 206 206 SER H H 206 8.290 8.290 8.781 -0.491 25488 7619 1 13 . 1 1 207 207 ASP N N 207 126.656 126.656 124.479 2.177 25488 7620 1 13 . 1 1 207 207 ASP H H 207 8.541 8.541 7.618 0.923 25488 7621 1 13 . 1 1 209 209 ASN N N 209 115.911 115.911 116.760 -0.849 25488 7622 1 13 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.367 0.249 25488 7623 1 13 . 1 1 209 209 ASN H H 209 8.374 8.374 8.400 -0.026 25488 7624 1 13 . 1 1 210 210 ALA N N 210 124.929 124.929 121.385 3.544 25488 7625 1 13 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.358 -0.204 25488 7626 1 13 . 1 1 210 210 ALA H H 210 8.182 8.182 7.228 0.954 25488 7627 1 13 . 1 1 211 211 VAL N N 211 130.383 130.383 120.362 10.021 25488 7628 1 13 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.817 0.433 25488 7629 1 13 . 1 1 211 211 VAL H H 211 11.554 11.554 8.608 2.946 25488 7630 1 13 . 1 1 212 212 MET N N 212 113.319 113.319 116.605 -3.286 25488 7631 1 13 . 1 1 212 212 MET H H 212 7.741 7.741 7.947 -0.206 25488 7632 1 13 . 1 1 213 213 TYR N N 213 130.006 130.006 122.417 7.589 25488 7633 1 13 . 1 1 213 213 TYR H H 213 7.899 7.899 7.808 0.091 25488 7634 1 13 . 1 1 215 215 THR N N 215 104.747 104.747 111.206 -6.459 25488 7635 1 13 . 1 1 215 215 THR HA H 215 4.404 4.404 4.366 0.038 25488 7636 1 13 . 1 1 215 215 THR H H 215 6.402 6.402 7.906 -1.504 25488 7637 1 13 . 1 1 216 216 TYR N N 216 124.699 124.699 123.405 1.294 25488 7638 1 13 . 1 1 216 216 TYR H H 216 8.341 8.341 7.944 0.397 25488 7639 1 13 . 1 1 217 217 GLY N N 217 116.288 116.288 109.735 6.553 25488 7640 1 13 . 1 1 217 217 GLY H H 217 7.685 7.685 8.113 -0.428 25488 7641 1 13 . 1 1 218 218 ASN N N 218 119.920 119.920 115.522 4.398 25488 7642 1 13 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.890 -0.270 25488 7643 1 13 . 1 1 218 218 ASN H H 218 8.221 8.221 8.557 -0.336 25488 7644 1 13 . 1 1 219 219 GLY N N 219 109.601 109.601 107.281 2.320 25488 7645 1 13 . 1 1 219 219 GLY H H 219 8.072 8.072 7.848 0.224 25488 7646 1 13 . 1 1 220 220 ASP N N 220 123.006 123.006 122.833 0.173 25488 7647 1 13 . 1 1 220 220 ASP H H 220 8.280 8.280 8.334 -0.054 25488 7648 1 13 . 1 1 222 222 GLN N N 222 116.642 116.642 117.884 -1.242 25488 7649 1 13 . 1 1 222 222 GLN H H 222 8.215 8.215 8.324 -0.109 25488 7650 1 13 . 1 1 223 223 ASN N N 223 118.361 118.361 118.321 0.040 25488 7651 1 13 . 1 1 223 223 ASN H H 223 7.970 7.970 8.311 -0.341 25488 7652 1 13 . 1 1 225 225 LYS N N 225 122.215 122.215 125.579 -3.364 25488 7653 1 13 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.426 -0.010 25488 7654 1 13 . 1 1 225 225 LYS H H 225 7.656 7.656 7.830 -0.174 25488 7655 1 13 . 1 1 226 226 LEU N N 226 119.165 119.165 118.811 0.354 25488 7656 1 13 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.624 -0.536 25488 7657 1 13 . 1 1 226 226 LEU H H 226 7.984 7.984 8.121 -0.137 25488 7658 1 13 . 1 1 227 227 SER N N 227 120.520 120.520 115.615 4.905 25488 7659 1 13 . 1 1 227 227 SER HA H 227 4.676 4.676 4.429 0.247 25488 7660 1 13 . 1 1 227 227 SER H H 227 9.646 9.646 8.606 1.040 25488 7661 1 13 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.138 0.536 25488 7662 1 13 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.394 -0.020 25488 7663 1 13 . 1 1 229 229 ASP H H 229 8.113 8.113 8.524 -0.411 25488 7664 1 13 . 1 1 230 230 ASP N N 230 119.878 119.878 119.083 0.795 25488 7665 1 13 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.460 -0.122 25488 7666 1 13 . 1 1 230 230 ASP H H 230 7.397 7.397 7.656 -0.259 25488 7667 1 13 . 1 1 231 231 ILE N N 231 120.389 120.389 120.031 0.358 25488 7668 1 13 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.714 -0.059 25488 7669 1 13 . 1 1 231 231 ILE H H 231 8.100 8.100 7.404 0.696 25488 7670 1 13 . 1 1 232 232 LYS N N 232 119.084 119.084 119.564 -0.480 25488 7671 1 13 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.996 0.099 25488 7672 1 13 . 1 1 232 232 LYS H H 232 8.581 8.581 7.772 0.809 25488 7673 1 13 . 1 1 233 233 GLY N N 233 106.424 106.424 106.445 -0.021 25488 7674 1 13 . 1 1 233 233 GLY H H 233 8.061 8.061 7.652 0.409 25488 7675 1 13 . 1 1 234 234 ILE N N 234 125.166 125.166 122.053 3.113 25488 7676 1 13 . 1 1 234 234 ILE H H 234 8.517 8.517 7.490 1.027 25488 7677 1 13 . 1 1 235 235 GLN N N 235 122.969 122.969 120.115 2.854 25488 7678 1 13 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.957 0.424 25488 7679 1 13 . 1 1 235 235 GLN H H 235 8.291 8.291 8.091 0.200 25488 7680 1 13 . 1 1 236 236 LYS N N 236 123.770 123.770 118.324 5.446 25488 7681 1 13 . 1 1 236 236 LYS H H 236 8.035 8.035 7.742 0.293 25488 7682 1 13 . 1 1 237 237 LEU N N 237 116.854 116.854 117.586 -0.732 25488 7683 1 13 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.860 0.099 25488 7684 1 13 . 1 1 237 237 LEU H H 237 6.886 6.886 7.683 -0.797 25488 7685 1 13 . 1 1 238 238 TYR N N 238 112.132 112.132 113.106 -0.974 25488 7686 1 13 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.560 0.066 25488 7687 1 13 . 1 1 238 238 TYR H H 238 7.459 7.459 7.270 0.189 25488 7688 1 13 . 1 1 239 239 GLY N N 239 110.898 110.898 106.412 4.486 25488 7689 1 13 . 1 1 239 239 GLY H H 239 8.442 8.442 7.778 0.664 25488 7690 1 13 . 1 1 240 240 LYS N N 240 114.400 114.400 120.596 -6.196 25488 7691 1 13 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.448 0.356 25488 7692 1 13 . 1 1 240 240 LYS H H 240 7.865 7.865 8.423 -0.558 25488 7693 1 13 . 1 1 241 241 ARG N N 241 123.851 123.851 124.518 -0.667 25488 7694 1 13 . 1 1 241 241 ARG H H 241 7.760 7.760 8.688 -0.928 25488 7695 1 13 . 1 1 242 242 SER N N 242 135.647 135.647 113.157 22.490 25488 7696 1 13 . 1 1 242 242 SER H H 242 9.158 9.158 8.495 0.663 25488 7697 1 14 . 1 1 3 3 GLU N N 3 121.690 121.690 122.929 -1.239 25488 7698 1 14 . 1 1 3 3 GLU H H 3 8.332 8.332 8.714 -0.382 25488 7699 1 14 . 1 1 4 4 ALA N N 4 124.526 124.526 119.406 5.120 25488 7700 1 14 . 1 1 4 4 ALA H H 4 8.111 8.111 8.095 0.016 25488 7701 1 14 . 1 1 5 5 GLY N N 5 108.229 108.229 104.234 3.995 25488 7702 1 14 . 1 1 5 5 GLY H H 5 8.286 8.286 7.732 0.554 25488 7703 1 14 . 1 1 6 6 GLY N N 6 108.867 108.867 108.316 0.551 25488 7704 1 14 . 1 1 6 6 GLY H H 6 8.239 8.239 7.465 0.774 25488 7705 1 14 . 1 1 7 7 MET N N 7 119.984 119.984 121.215 -1.231 25488 7706 1 14 . 1 1 7 7 MET H H 7 8.044 8.044 7.711 0.333 25488 7707 1 14 . 1 1 8 8 SER N N 8 118.771 118.771 117.692 1.079 25488 7708 1 14 . 1 1 8 8 SER HA H 8 4.239 4.239 4.378 -0.139 25488 7709 1 14 . 1 1 8 8 SER H H 8 8.738 8.738 8.119 0.619 25488 7710 1 14 . 1 1 9 9 GLU N N 9 122.551 122.551 122.533 0.018 25488 7711 1 14 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.069 0.183 25488 7712 1 14 . 1 1 9 9 GLU H H 9 8.919 8.919 8.975 -0.056 25488 7713 1 14 . 1 1 10 10 LEU N N 10 120.638 120.638 118.523 2.115 25488 7714 1 14 . 1 1 10 10 LEU H H 10 8.017 8.017 7.976 0.041 25488 7715 1 14 . 1 1 11 11 GLN N N 11 119.889 119.889 118.952 0.937 25488 7716 1 14 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.934 0.200 25488 7717 1 14 . 1 1 11 11 GLN H H 11 7.807 7.807 8.143 -0.336 25488 7718 1 14 . 1 1 12 12 TRP N N 12 120.951 120.951 122.226 -1.275 25488 7719 1 14 . 1 1 12 12 TRP H H 12 8.202 8.202 7.977 0.225 25488 7720 1 14 . 1 1 13 13 GLU N N 13 121.870 121.870 120.039 1.831 25488 7721 1 14 . 1 1 13 13 GLU H H 13 8.436 8.436 7.732 0.704 25488 7722 1 14 . 1 1 14 14 GLN N N 14 120.646 120.646 118.217 2.429 25488 7723 1 14 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.094 0.075 25488 7724 1 14 . 1 1 14 14 GLN H H 14 8.159 8.159 7.777 0.382 25488 7725 1 14 . 1 1 15 15 ALA N N 15 123.216 123.216 124.033 -0.817 25488 7726 1 14 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.406 -0.068 25488 7727 1 14 . 1 1 15 15 ALA H H 15 8.355 8.355 7.748 0.607 25488 7728 1 14 . 1 1 16 16 GLN N N 16 117.766 117.766 118.282 -0.516 25488 7729 1 14 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.751 -0.046 25488 7730 1 14 . 1 1 16 16 GLN H H 16 8.440 8.440 7.969 0.471 25488 7731 1 14 . 1 1 17 17 ASP N N 17 120.090 120.090 119.314 0.776 25488 7732 1 14 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.276 0.187 25488 7733 1 14 . 1 1 17 17 ASP H H 17 7.899 7.899 7.945 -0.046 25488 7734 1 14 . 1 1 18 18 TYR N N 18 122.296 122.296 119.899 2.397 25488 7735 1 14 . 1 1 18 18 TYR H H 18 8.264 8.264 7.509 0.755 25488 7736 1 14 . 1 1 19 19 LEU N N 19 117.675 117.675 119.210 -1.535 25488 7737 1 14 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.145 0.980 25488 7738 1 14 . 1 1 19 19 LEU H H 19 8.687 8.687 8.266 0.421 25488 7739 1 14 . 1 1 20 20 LYS N N 20 124.620 124.620 117.320 7.300 25488 7740 1 14 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.054 0.089 25488 7741 1 14 . 1 1 20 20 LYS H H 20 8.790 8.790 7.190 1.600 25488 7742 1 14 . 1 1 21 21 ARG N N 21 117.608 117.608 118.994 -1.386 25488 7743 1 14 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.981 -0.284 25488 7744 1 14 . 1 1 21 21 ARG H H 21 7.835 7.835 7.197 0.638 25488 7745 1 14 . 1 1 22 22 PHE N N 22 112.136 112.136 116.903 -4.767 25488 7746 1 14 . 1 1 22 22 PHE H H 22 8.003 8.003 7.141 0.862 25488 7747 1 14 . 1 1 23 23 TYR N N 23 116.244 116.244 113.719 2.525 25488 7748 1 14 . 1 1 23 23 TYR H H 23 7.678 7.678 7.980 -0.302 25488 7749 1 14 . 1 1 24 24 LEU N N 24 115.582 115.582 119.655 -4.073 25488 7750 1 14 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.012 0.123 25488 7751 1 14 . 1 1 24 24 LEU H H 24 7.238 7.238 7.920 -0.682 25488 7752 1 14 . 1 1 25 25 TYR N N 25 119.996 119.996 119.546 0.450 25488 7753 1 14 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.730 -0.325 25488 7754 1 14 . 1 1 25 25 TYR H H 25 7.826 7.826 7.687 0.139 25488 7755 1 14 . 1 1 26 26 ASP N N 26 129.292 129.292 123.766 5.526 25488 7756 1 14 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.391 0.070 25488 7757 1 14 . 1 1 26 26 ASP H H 26 8.121 8.121 7.486 0.635 25488 7758 1 14 . 1 1 28 28 GLU N N 28 122.115 122.115 120.579 1.536 25488 7759 1 14 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.240 0.041 25488 7760 1 14 . 1 1 28 28 GLU H H 28 8.262 8.262 8.494 -0.232 25488 7761 1 14 . 1 1 29 29 THR N N 29 114.171 114.171 113.436 0.735 25488 7762 1 14 . 1 1 29 29 THR HA H 29 4.222 4.222 4.254 -0.032 25488 7763 1 14 . 1 1 29 29 THR H H 29 7.496 7.496 7.349 0.147 25488 7764 1 14 . 1 1 30 30 LYS N N 30 123.019 123.019 122.606 0.413 25488 7765 1 14 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.214 0.004 25488 7766 1 14 . 1 1 30 30 LYS H H 30 8.154 8.154 7.344 0.810 25488 7767 1 14 . 1 1 32 32 ALA N N 32 126.481 126.481 127.050 -0.569 25488 7768 1 14 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.038 0.212 25488 7769 1 14 . 1 1 32 32 ALA H H 32 8.424 8.424 8.657 -0.233 25488 7770 1 14 . 1 1 33 33 ASN N N 33 116.834 116.834 116.145 0.689 25488 7771 1 14 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.707 -0.009 25488 7772 1 14 . 1 1 33 33 ASN H H 33 8.312 8.312 8.772 -0.460 25488 7773 1 14 . 1 1 34 34 SER N N 34 116.960 116.960 117.777 -0.817 25488 7774 1 14 . 1 1 34 34 SER HA H 34 4.522 4.522 4.250 0.272 25488 7775 1 14 . 1 1 34 34 SER H H 34 8.112 8.112 7.575 0.537 25488 7776 1 14 . 1 1 35 35 LEU N N 35 125.335 125.335 123.733 1.602 25488 7777 1 14 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.933 -0.382 25488 7778 1 14 . 1 1 35 35 LEU H H 35 8.324 8.324 8.436 -0.112 25488 7779 1 14 . 1 1 36 36 GLU N N 36 119.302 119.302 118.481 0.821 25488 7780 1 14 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.934 0.009 25488 7781 1 14 . 1 1 36 36 GLU H H 36 8.239 8.239 7.720 0.519 25488 7782 1 14 . 1 1 37 37 ALA N N 37 120.683 120.683 120.574 0.109 25488 7783 1 14 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.200 -0.153 25488 7784 1 14 . 1 1 37 37 ALA H H 37 7.898 7.898 7.839 0.059 25488 7785 1 14 . 1 1 38 38 LYS N N 38 119.470 119.470 119.191 0.279 25488 7786 1 14 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.108 0.225 25488 7787 1 14 . 1 1 38 38 LYS H H 38 8.217 8.217 7.539 0.678 25488 7788 1 14 . 1 1 39 39 LEU N N 39 122.664 122.664 120.722 1.942 25488 7789 1 14 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.159 -0.245 25488 7790 1 14 . 1 1 39 39 LEU H H 39 8.658 8.658 8.103 0.555 25488 7791 1 14 . 1 1 40 40 LYS N N 40 118.301 118.301 119.511 -1.210 25488 7792 1 14 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.919 0.754 25488 7793 1 14 . 1 1 40 40 LYS H H 40 8.221 8.221 7.860 0.361 25488 7794 1 14 . 1 1 41 41 GLU N N 41 121.462 121.462 118.610 2.852 25488 7795 1 14 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.202 -0.134 25488 7796 1 14 . 1 1 41 41 GLU H H 41 7.736 7.736 7.669 0.067 25488 7797 1 14 . 1 1 42 42 MET N N 42 123.761 123.761 119.312 4.449 25488 7798 1 14 . 1 1 42 42 MET HA H 42 4.046 4.046 4.230 -0.184 25488 7799 1 14 . 1 1 42 42 MET H H 42 7.672 7.672 7.921 -0.249 25488 7800 1 14 . 1 1 43 43 GLN N N 43 120.035 120.035 117.564 2.471 25488 7801 1 14 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.090 -0.294 25488 7802 1 14 . 1 1 43 43 GLN H H 43 8.904 8.904 8.719 0.185 25488 7803 1 14 . 1 1 44 44 LYS N N 44 119.131 119.131 121.099 -1.968 25488 7804 1 14 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.094 -0.042 25488 7805 1 14 . 1 1 44 44 LYS H H 44 8.511 8.511 7.788 0.723 25488 7806 1 14 . 1 1 45 45 PHE N N 45 123.544 123.544 118.253 5.291 25488 7807 1 14 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.243 -0.393 25488 7808 1 14 . 1 1 45 45 PHE H H 45 8.438 8.438 7.573 0.865 25488 7809 1 14 . 1 1 46 46 PHE N N 46 112.789 112.789 116.130 -3.341 25488 7810 1 14 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.482 0.100 25488 7811 1 14 . 1 1 46 46 PHE H H 46 8.273 8.273 7.754 0.519 25488 7812 1 14 . 1 1 47 47 GLY N N 47 110.408 110.408 107.215 3.193 25488 7813 1 14 . 1 1 47 47 GLY H H 47 7.922 7.922 7.799 0.123 25488 7814 1 14 . 1 1 48 48 LEU N N 48 121.853 121.853 122.756 -0.903 25488 7815 1 14 . 1 1 48 48 LEU H H 48 8.747 8.747 7.644 1.103 25488 7816 1 14 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.360 -0.159 25488 7817 1 14 . 1 1 50 50 ILE N N 50 127.000 127.000 119.355 7.645 25488 7818 1 14 . 1 1 50 50 ILE H H 50 8.529 8.529 7.468 1.061 25488 7819 1 14 . 1 1 51 51 THR N N 51 116.519 116.519 115.617 0.902 25488 7820 1 14 . 1 1 51 51 THR H H 51 7.980 7.980 8.398 -0.418 25488 7821 1 14 . 1 1 52 52 GLY N N 52 112.725 112.725 114.549 -1.824 25488 7822 1 14 . 1 1 52 52 GLY H H 52 9.483 9.483 9.683 -0.200 25488 7823 1 14 . 1 1 53 53 MET N N 53 116.735 116.735 120.279 -3.544 25488 7824 1 14 . 1 1 53 53 MET HA H 53 4.044 4.044 4.619 -0.575 25488 7825 1 14 . 1 1 53 53 MET H H 53 7.969 7.969 8.447 -0.478 25488 7826 1 14 . 1 1 54 54 LEU N N 54 122.602 122.602 124.336 -1.734 25488 7827 1 14 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.387 -0.681 25488 7828 1 14 . 1 1 54 54 LEU H H 54 7.926 7.926 8.305 -0.379 25488 7829 1 14 . 1 1 55 55 ASN N N 55 115.755 115.755 121.169 -5.414 25488 7830 1 14 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.676 0.064 25488 7831 1 14 . 1 1 55 55 ASN H H 55 6.555 6.555 7.991 -1.436 25488 7832 1 14 . 1 1 56 56 SER N N 56 121.450 121.450 116.235 5.215 25488 7833 1 14 . 1 1 56 56 SER HA H 56 4.662 4.662 4.146 0.516 25488 7834 1 14 . 1 1 56 56 SER H H 56 8.205 8.205 8.699 -0.494 25488 7835 1 14 . 1 1 57 57 ARG N N 57 123.219 123.219 123.096 0.123 25488 7836 1 14 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.122 0.084 25488 7837 1 14 . 1 1 57 57 ARG H H 57 7.883 7.883 7.805 0.078 25488 7838 1 14 . 1 1 58 58 VAL N N 58 118.843 118.843 119.221 -0.378 25488 7839 1 14 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.545 -0.245 25488 7840 1 14 . 1 1 58 58 VAL H H 58 7.594 7.594 7.286 0.308 25488 7841 1 14 . 1 1 59 59 ILE N N 59 119.212 119.212 118.616 0.596 25488 7842 1 14 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.792 -0.323 25488 7843 1 14 . 1 1 59 59 ILE H H 59 7.326 7.326 7.711 -0.385 25488 7844 1 14 . 1 1 60 60 GLU N N 60 119.544 119.544 121.087 -1.543 25488 7845 1 14 . 1 1 60 60 GLU H H 60 7.880 7.880 7.704 0.176 25488 7846 1 14 . 1 1 61 61 ILE N N 61 118.812 118.812 112.332 6.480 25488 7847 1 14 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.555 -0.113 25488 7848 1 14 . 1 1 61 61 ILE H H 61 7.217 7.217 7.352 -0.135 25488 7849 1 14 . 1 1 62 62 MET N N 62 120.202 120.202 121.003 -0.801 25488 7850 1 14 . 1 1 62 62 MET HA H 62 3.419 3.419 4.233 -0.814 25488 7851 1 14 . 1 1 62 62 MET H H 62 7.820 7.820 7.395 0.425 25488 7852 1 14 . 1 1 63 63 GLN N N 63 116.274 116.274 115.037 1.237 25488 7853 1 14 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.266 -0.025 25488 7854 1 14 . 1 1 63 63 GLN H H 63 7.442 7.442 7.978 -0.536 25488 7855 1 14 . 1 1 64 64 LYS N N 64 121.450 121.450 122.399 -0.949 25488 7856 1 14 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.236 0.263 25488 7857 1 14 . 1 1 64 64 LYS H H 64 7.474 7.474 7.414 0.060 25488 7858 1 14 . 1 1 66 66 ARG N N 66 113.173 113.173 119.094 -5.921 25488 7859 1 14 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.518 -0.079 25488 7860 1 14 . 1 1 66 66 ARG H H 66 8.151 8.151 7.519 0.632 25488 7861 1 14 . 1 1 67 67 CYS N N 67 121.794 121.794 119.117 2.677 25488 7862 1 14 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.953 -0.533 25488 7863 1 14 . 1 1 67 67 CYS H H 67 7.709 7.709 8.423 -0.714 25488 7864 1 14 . 1 1 68 68 GLY N N 68 116.255 116.255 112.711 3.544 25488 7865 1 14 . 1 1 68 68 GLY H H 68 9.707 9.707 8.578 1.129 25488 7866 1 14 . 1 1 69 69 VAL N N 69 126.541 126.541 116.316 10.225 25488 7867 1 14 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.552 -0.745 25488 7868 1 14 . 1 1 69 69 VAL H H 69 9.118 9.118 7.295 1.823 25488 7869 1 14 . 1 1 71 71 ASP N N 71 119.114 119.114 126.395 -7.281 25488 7870 1 14 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.659 -0.176 25488 7871 1 14 . 1 1 71 71 ASP H H 71 8.067 8.067 8.087 -0.020 25488 7872 1 14 . 1 1 72 72 VAL N N 72 112.988 112.988 118.932 -5.944 25488 7873 1 14 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.267 0.014 25488 7874 1 14 . 1 1 72 72 VAL H H 72 6.438 6.438 7.274 -0.836 25488 7875 1 14 . 1 1 73 73 ALA N N 73 125.902 125.902 124.300 1.602 25488 7876 1 14 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.446 -0.179 25488 7877 1 14 . 1 1 73 73 ALA H H 73 8.171 8.171 8.372 -0.201 25488 7878 1 14 . 1 1 74 74 GLU N N 74 120.835 120.835 124.236 -3.401 25488 7879 1 14 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.428 -0.345 25488 7880 1 14 . 1 1 74 74 GLU H H 74 8.385 8.385 8.033 0.352 25488 7881 1 14 . 1 1 75 75 TYR N N 75 121.820 121.820 119.408 2.412 25488 7882 1 14 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.246 0.148 25488 7883 1 14 . 1 1 75 75 TYR H H 75 8.102 8.102 8.764 -0.662 25488 7884 1 14 . 1 1 76 76 SER N N 76 117.881 117.881 113.798 4.083 25488 7885 1 14 . 1 1 76 76 SER H H 76 7.718 7.718 8.524 -0.806 25488 7886 1 14 . 1 1 77 77 LEU N N 77 123.835 123.835 121.924 1.911 25488 7887 1 14 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.564 -0.472 25488 7888 1 14 . 1 1 77 77 LEU H H 77 8.033 8.033 7.651 0.382 25488 7889 1 14 . 1 1 78 78 PHE N N 78 118.893 118.893 120.904 -2.011 25488 7890 1 14 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.889 -0.044 25488 7891 1 14 . 1 1 78 78 PHE H H 78 7.822 7.822 8.082 -0.260 25488 7892 1 14 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.383 -0.052 25488 7893 1 14 . 1 1 80 80 ASN N N 80 118.184 118.184 122.277 -4.093 25488 7894 1 14 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.781 -0.101 25488 7895 1 14 . 1 1 80 80 ASN H H 80 8.106 8.106 7.900 0.206 25488 7896 1 14 . 1 1 81 81 SER HA H 81 4.636 4.636 4.622 0.014 25488 7897 1 14 . 1 1 83 83 LYS N N 83 114.696 114.696 117.720 -3.024 25488 7898 1 14 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.489 -0.266 25488 7899 1 14 . 1 1 83 83 LYS H H 83 7.361 7.361 7.864 -0.503 25488 7900 1 14 . 1 1 84 84 TRP N N 84 122.459 122.459 123.000 -0.541 25488 7901 1 14 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.672 -0.669 25488 7902 1 14 . 1 1 84 84 TRP H H 84 8.020 8.020 8.680 -0.660 25488 7903 1 14 . 1 1 85 85 THR N N 85 113.482 113.482 116.186 -2.704 25488 7904 1 14 . 1 1 85 85 THR HA H 85 4.586 4.586 4.222 0.364 25488 7905 1 14 . 1 1 85 85 THR H H 85 8.833 8.833 8.654 0.179 25488 7906 1 14 . 1 1 86 86 SER N N 86 117.316 117.316 112.481 4.835 25488 7907 1 14 . 1 1 86 86 SER HA H 86 4.665 4.665 4.727 -0.062 25488 7908 1 14 . 1 1 86 86 SER H H 86 7.724 7.724 7.712 0.012 25488 7909 1 14 . 1 1 87 87 LYS N N 87 120.411 120.411 120.557 -0.146 25488 7910 1 14 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.410 -0.271 25488 7911 1 14 . 1 1 87 87 LYS H H 87 8.312 8.312 8.445 -0.133 25488 7912 1 14 . 1 1 88 88 VAL N N 88 117.674 117.674 119.353 -1.679 25488 7913 1 14 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.450 0.201 25488 7914 1 14 . 1 1 88 88 VAL H H 88 7.425 7.425 7.360 0.065 25488 7915 1 14 . 1 1 89 89 VAL N N 89 131.493 131.493 125.807 5.686 25488 7916 1 14 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.299 -0.158 25488 7917 1 14 . 1 1 89 89 VAL H H 89 8.574 8.574 8.125 0.449 25488 7918 1 14 . 1 1 90 90 THR N N 90 118.245 118.245 117.996 0.249 25488 7919 1 14 . 1 1 90 90 THR HA H 90 5.627 5.627 5.801 -0.174 25488 7920 1 14 . 1 1 90 90 THR H H 90 9.021 9.021 9.161 -0.140 25488 7921 1 14 . 1 1 91 91 TYR N N 91 118.267 118.267 119.059 -0.792 25488 7922 1 14 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.740 -0.066 25488 7923 1 14 . 1 1 91 91 TYR H H 91 8.555 8.555 8.273 0.282 25488 7924 1 14 . 1 1 92 92 ARG N N 92 120.260 120.260 124.945 -4.685 25488 7925 1 14 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.878 -0.232 25488 7926 1 14 . 1 1 92 92 ARG H H 92 8.513 8.513 8.342 0.171 25488 7927 1 14 . 1 1 93 93 ILE N N 93 128.361 128.361 127.545 0.816 25488 7928 1 14 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.407 0.212 25488 7929 1 14 . 1 1 93 93 ILE H H 93 8.878 8.878 8.995 -0.117 25488 7930 1 14 . 1 1 94 94 VAL N N 94 126.374 126.374 126.513 -0.139 25488 7931 1 14 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.103 -0.103 25488 7932 1 14 . 1 1 94 94 VAL H H 94 9.492 9.492 8.992 0.500 25488 7933 1 14 . 1 1 95 95 SER N N 95 113.303 113.303 113.205 0.098 25488 7934 1 14 . 1 1 95 95 SER HA H 95 4.705 4.705 4.710 -0.005 25488 7935 1 14 . 1 1 95 95 SER H H 95 7.431 7.431 7.589 -0.158 25488 7936 1 14 . 1 1 96 96 TYR N N 96 117.054 117.054 118.941 -1.887 25488 7937 1 14 . 1 1 96 96 TYR H H 96 8.255 8.255 7.715 0.540 25488 7938 1 14 . 1 1 98 98 ARG N N 98 128.445 128.445 123.412 5.033 25488 7939 1 14 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.064 0.274 25488 7940 1 14 . 1 1 98 98 ARG H H 98 8.964 8.964 8.497 0.467 25488 7941 1 14 . 1 1 99 99 ASP N N 99 120.412 120.412 119.812 0.600 25488 7942 1 14 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.568 -0.233 25488 7943 1 14 . 1 1 99 99 ASP H H 99 8.695 8.695 8.553 0.142 25488 7944 1 14 . 1 1 100 100 LEU N N 100 116.851 116.851 121.561 -4.710 25488 7945 1 14 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.741 0.192 25488 7946 1 14 . 1 1 100 100 LEU H H 100 6.902 6.902 7.593 -0.691 25488 7947 1 14 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.757 0.410 25488 7948 1 14 . 1 1 103 103 ILE N N 103 115.469 115.469 115.297 0.172 25488 7949 1 14 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.461 0.712 25488 7950 1 14 . 1 1 103 103 ILE H H 103 8.296 8.296 8.071 0.225 25488 7951 1 14 . 1 1 104 104 THR N N 104 119.413 119.413 113.307 6.106 25488 7952 1 14 . 1 1 104 104 THR HA H 104 4.019 4.019 3.929 0.090 25488 7953 1 14 . 1 1 104 104 THR H H 104 6.915 6.915 8.354 -1.439 25488 7954 1 14 . 1 1 105 105 VAL N N 105 123.232 123.232 122.811 0.421 25488 7955 1 14 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.343 0.071 25488 7956 1 14 . 1 1 105 105 VAL H H 105 7.379 7.379 7.140 0.239 25488 7957 1 14 . 1 1 106 106 ASP N N 106 120.160 120.160 119.902 0.258 25488 7958 1 14 . 1 1 106 106 ASP H H 106 8.615 8.615 8.171 0.444 25488 7959 1 14 . 1 1 107 107 ARG N N 107 121.041 121.041 117.969 3.072 25488 7960 1 14 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.176 -0.086 25488 7961 1 14 . 1 1 107 107 ARG H H 107 8.372 8.372 8.147 0.225 25488 7962 1 14 . 1 1 108 108 LEU N N 108 121.644 121.644 119.952 1.692 25488 7963 1 14 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.275 -0.022 25488 7964 1 14 . 1 1 108 108 LEU H H 108 8.768 8.768 8.487 0.281 25488 7965 1 14 . 1 1 109 109 VAL N N 109 120.347 120.347 116.468 3.879 25488 7966 1 14 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.561 -0.190 25488 7967 1 14 . 1 1 109 109 VAL H H 109 8.762 8.762 8.164 0.598 25488 7968 1 14 . 1 1 110 110 SER N N 110 112.949 112.949 118.455 -5.506 25488 7969 1 14 . 1 1 110 110 SER HA H 110 4.270 4.270 3.843 0.427 25488 7970 1 14 . 1 1 110 110 SER H H 110 7.605 7.605 7.640 -0.035 25488 7971 1 14 . 1 1 111 111 LYS N N 111 122.434 122.434 121.832 0.602 25488 7972 1 14 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.821 0.221 25488 7973 1 14 . 1 1 111 111 LYS H H 111 8.146 8.146 7.644 0.502 25488 7974 1 14 . 1 1 112 112 ALA N N 112 124.099 124.099 121.355 2.744 25488 7975 1 14 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.890 0.187 25488 7976 1 14 . 1 1 112 112 ALA H H 112 8.270 8.270 7.650 0.620 25488 7977 1 14 . 1 1 113 113 LEU N N 113 116.251 116.251 117.858 -1.607 25488 7978 1 14 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.615 0.107 25488 7979 1 14 . 1 1 113 113 LEU H H 113 8.019 8.019 7.577 0.442 25488 7980 1 14 . 1 1 114 114 ASN N N 114 116.659 116.659 117.931 -1.272 25488 7981 1 14 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.185 0.344 25488 7982 1 14 . 1 1 114 114 ASN H H 114 8.197 8.197 8.486 -0.289 25488 7983 1 14 . 1 1 115 115 MET N N 115 122.118 122.118 118.681 3.437 25488 7984 1 14 . 1 1 115 115 MET HA H 115 4.013 4.013 4.036 -0.023 25488 7985 1 14 . 1 1 115 115 MET H H 115 7.918 7.918 7.392 0.526 25488 7986 1 14 . 1 1 116 116 TRP N N 116 117.117 117.117 116.921 0.196 25488 7987 1 14 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.784 -0.274 25488 7988 1 14 . 1 1 116 116 TRP H H 116 6.773 6.773 7.263 -0.490 25488 7989 1 14 . 1 1 117 117 GLY N N 117 104.656 104.656 108.816 -4.160 25488 7990 1 14 . 1 1 117 117 GLY H H 117 9.305 9.305 8.641 0.664 25488 7991 1 14 . 1 1 118 118 LYS N N 118 118.567 118.567 118.775 -0.208 25488 7992 1 14 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.151 0.026 25488 7993 1 14 . 1 1 118 118 LYS H H 118 7.947 7.947 8.302 -0.355 25488 7994 1 14 . 1 1 119 119 GLU N N 119 113.899 113.899 117.598 -3.699 25488 7995 1 14 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.457 0.351 25488 7996 1 14 . 1 1 119 119 GLU H H 119 7.773 7.773 7.583 0.190 25488 7997 1 14 . 1 1 120 120 ILE N N 120 111.215 111.215 120.834 -9.619 25488 7998 1 14 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.953 0.368 25488 7999 1 14 . 1 1 120 120 ILE H H 120 7.528 7.528 8.073 -0.545 25488 8000 1 14 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.471 0.150 25488 8001 1 14 . 1 1 122 122 LEU N N 122 121.481 121.481 121.667 -0.186 25488 8002 1 14 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.159 0.133 25488 8003 1 14 . 1 1 122 122 LEU H H 122 6.815 6.815 7.614 -0.799 25488 8004 1 14 . 1 1 123 123 HIS N N 123 120.769 120.769 124.925 -4.156 25488 8005 1 14 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.728 -0.136 25488 8006 1 14 . 1 1 123 123 HIS H H 123 7.709 7.709 8.688 -0.979 25488 8007 1 14 . 1 1 124 124 PHE N N 124 120.530 120.530 124.271 -3.741 25488 8008 1 14 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.606 0.206 25488 8009 1 14 . 1 1 124 124 PHE H H 124 8.306 8.306 8.722 -0.416 25488 8010 1 14 . 1 1 125 125 ARG N N 125 123.891 123.891 124.338 -0.447 25488 8011 1 14 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.832 -0.179 25488 8012 1 14 . 1 1 125 125 ARG H H 125 8.408 8.408 8.946 -0.538 25488 8013 1 14 . 1 1 126 126 LYS N N 126 130.178 130.178 126.050 4.128 25488 8014 1 14 . 1 1 126 126 LYS HA H 126 3.361 3.361 4.240 -0.879 25488 8015 1 14 . 1 1 126 126 LYS H H 126 8.468 8.468 8.355 0.113 25488 8016 1 14 . 1 1 127 127 VAL N N 127 125.180 125.180 126.345 -1.165 25488 8017 1 14 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.241 0.267 25488 8018 1 14 . 1 1 127 127 VAL H H 127 8.679 8.679 8.527 0.152 25488 8019 1 14 . 1 1 128 128 VAL N N 128 117.584 117.584 124.125 -6.541 25488 8020 1 14 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.040 0.246 25488 8021 1 14 . 1 1 128 128 VAL H H 128 8.469 8.469 8.529 -0.060 25488 8022 1 14 . 1 1 129 129 TRP N N 129 119.805 119.805 121.396 -1.591 25488 8023 1 14 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.855 -0.169 25488 8024 1 14 . 1 1 129 129 TRP H H 129 7.447 7.447 7.852 -0.405 25488 8025 1 14 . 1 1 130 130 GLY N N 130 109.844 109.844 112.534 -2.690 25488 8026 1 14 . 1 1 130 130 GLY H H 130 8.072 8.072 8.047 0.025 25488 8027 1 14 . 1 1 131 131 THR N N 131 116.125 116.125 112.621 3.504 25488 8028 1 14 . 1 1 131 131 THR HA H 131 4.123 4.123 4.629 -0.506 25488 8029 1 14 . 1 1 131 131 THR H H 131 8.196 8.196 8.318 -0.122 25488 8030 1 14 . 1 1 132 132 ALA N N 132 129.613 129.613 128.638 0.975 25488 8031 1 14 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.608 -0.097 25488 8032 1 14 . 1 1 132 132 ALA H H 132 7.919 7.919 8.011 -0.092 25488 8033 1 14 . 1 1 133 133 ASP N N 133 123.004 123.004 120.282 2.722 25488 8034 1 14 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.554 -0.112 25488 8035 1 14 . 1 1 133 133 ASP H H 133 8.248 8.248 8.430 -0.182 25488 8036 1 14 . 1 1 134 134 ILE N N 134 125.478 125.478 122.274 3.204 25488 8037 1 14 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.460 -0.367 25488 8038 1 14 . 1 1 134 134 ILE H H 134 8.804 8.804 7.799 1.005 25488 8039 1 14 . 1 1 135 135 MET N N 135 127.471 127.471 127.214 0.257 25488 8040 1 14 . 1 1 135 135 MET HA H 135 5.194 5.194 4.828 0.366 25488 8041 1 14 . 1 1 135 135 MET H H 135 7.437 7.437 9.674 -2.237 25488 8042 1 14 . 1 1 136 136 ILE N N 136 125.040 125.040 125.153 -0.113 25488 8043 1 14 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.791 0.786 25488 8044 1 14 . 1 1 136 136 ILE H H 136 9.085 9.085 8.844 0.241 25488 8045 1 14 . 1 1 137 137 GLY N N 137 112.059 112.059 114.394 -2.335 25488 8046 1 14 . 1 1 137 137 GLY H H 137 8.568 8.568 8.975 -0.407 25488 8047 1 14 . 1 1 138 138 PHE N N 138 119.447 119.447 119.125 0.322 25488 8048 1 14 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.603 -0.149 25488 8049 1 14 . 1 1 138 138 PHE H H 138 7.861 7.861 8.949 -1.088 25488 8050 1 14 . 1 1 139 139 ALA N N 139 123.657 123.657 125.241 -1.584 25488 8051 1 14 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.675 0.060 25488 8052 1 14 . 1 1 139 139 ALA H H 139 8.939 8.939 9.082 -0.143 25488 8053 1 14 . 1 1 140 140 ARG N N 140 118.688 118.688 121.459 -2.771 25488 8054 1 14 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.699 0.375 25488 8055 1 14 . 1 1 140 140 ARG H H 140 8.563 8.563 8.556 0.007 25488 8056 1 14 . 1 1 141 141 GLY N N 141 108.964 108.964 111.512 -2.548 25488 8057 1 14 . 1 1 141 141 GLY H H 141 9.018 9.018 9.416 -0.398 25488 8058 1 14 . 1 1 143 143 HIS N N 143 120.218 120.218 117.237 2.981 25488 8059 1 14 . 1 1 143 143 HIS H H 143 8.998 8.998 7.898 1.100 25488 8060 1 14 . 1 1 145 145 ASP N N 145 117.684 117.684 121.259 -3.575 25488 8061 1 14 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.791 -0.091 25488 8062 1 14 . 1 1 145 145 ASP H H 145 7.088 7.088 7.978 -0.890 25488 8063 1 14 . 1 1 146 146 SER HA H 146 4.140 4.140 4.523 -0.383 25488 8064 1 14 . 1 1 146 146 SER H H 146 8.220 8.220 8.621 -0.401 25488 8065 1 14 . 1 1 147 147 TYR N N 147 120.867 120.867 117.817 3.050 25488 8066 1 14 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.291 0.497 25488 8067 1 14 . 1 1 147 147 TYR H H 147 7.459 7.459 8.170 -0.711 25488 8068 1 14 . 1 1 149 149 PHE N N 149 120.630 120.630 121.314 -0.684 25488 8069 1 14 . 1 1 149 149 PHE H H 149 8.018 8.018 8.207 -0.189 25488 8070 1 14 . 1 1 150 150 ASP N N 150 115.626 115.626 118.801 -3.175 25488 8071 1 14 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.161 0.682 25488 8072 1 14 . 1 1 150 150 ASP H H 150 7.543 7.543 7.734 -0.191 25488 8073 1 14 . 1 1 151 151 GLY N N 151 110.700 110.700 109.304 1.396 25488 8074 1 14 . 1 1 151 151 GLY H H 151 9.074 9.074 8.202 0.872 25488 8075 1 14 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.358 -0.332 25488 8076 1 14 . 1 1 153 153 GLY N N 153 118.786 118.786 111.715 7.071 25488 8077 1 14 . 1 1 153 153 GLY H H 153 11.385 11.385 9.028 2.357 25488 8078 1 14 . 1 1 154 154 ASN N N 154 120.613 120.613 118.518 2.095 25488 8079 1 14 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.532 -0.334 25488 8080 1 14 . 1 1 154 154 ASN H H 154 9.225 9.225 8.414 0.811 25488 8081 1 14 . 1 1 155 155 THR N N 155 118.700 118.700 115.662 3.038 25488 8082 1 14 . 1 1 155 155 THR HA H 155 5.542 5.542 4.465 1.077 25488 8083 1 14 . 1 1 155 155 THR H H 155 9.519 9.519 8.427 1.092 25488 8084 1 14 . 1 1 156 156 LEU N N 156 122.765 122.765 118.941 3.824 25488 8085 1 14 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.314 -0.372 25488 8086 1 14 . 1 1 156 156 LEU H H 156 8.500 8.500 8.329 0.171 25488 8087 1 14 . 1 1 157 157 ALA N N 157 115.545 115.545 120.561 -5.016 25488 8088 1 14 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.982 0.025 25488 8089 1 14 . 1 1 157 157 ALA H H 157 7.545 7.545 7.669 -0.124 25488 8090 1 14 . 1 1 158 158 HIS N N 158 111.868 111.868 116.880 -5.012 25488 8091 1 14 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.818 -0.201 25488 8092 1 14 . 1 1 158 158 HIS H H 158 8.774 8.774 8.666 0.108 25488 8093 1 14 . 1 1 159 159 ALA N N 159 118.565 118.565 122.480 -3.915 25488 8094 1 14 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.479 0.178 25488 8095 1 14 . 1 1 159 159 ALA H H 159 6.114 6.114 8.111 -1.997 25488 8096 1 14 . 1 1 160 160 PHE N N 160 118.042 118.042 120.089 -2.047 25488 8097 1 14 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.888 -0.407 25488 8098 1 14 . 1 1 160 160 PHE H H 160 7.897 7.897 8.577 -0.680 25488 8099 1 14 . 1 1 161 161 ALA N N 161 123.548 123.548 122.681 0.867 25488 8100 1 14 . 1 1 161 161 ALA HA H 161 4.483 4.483 5.115 -0.632 25488 8101 1 14 . 1 1 161 161 ALA H H 161 8.089 8.089 8.414 -0.325 25488 8102 1 14 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.518 -0.647 25488 8103 1 14 . 1 1 163 163 GLY N N 163 107.255 107.255 109.589 -2.334 25488 8104 1 14 . 1 1 163 163 GLY H H 163 5.992 5.992 7.315 -1.323 25488 8105 1 14 . 1 1 165 165 GLY H H 165 9.149 9.149 8.141 1.008 25488 8106 1 14 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.294 -0.141 25488 8107 1 14 . 1 1 167 167 GLY N N 167 103.338 103.338 103.731 -0.393 25488 8108 1 14 . 1 1 167 167 GLY H H 167 7.774 7.774 7.430 0.344 25488 8109 1 14 . 1 1 168 168 GLY N N 168 121.031 121.031 106.853 14.178 25488 8110 1 14 . 1 1 168 168 GLY H H 168 7.685 7.685 8.628 -0.943 25488 8111 1 14 . 1 1 169 169 ASP N N 169 123.703 123.703 121.762 1.941 25488 8112 1 14 . 1 1 169 169 ASP H H 169 8.578 8.578 8.087 0.491 25488 8113 1 14 . 1 1 170 170 ALA N N 170 119.569 119.569 120.978 -1.409 25488 8114 1 14 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.885 -0.181 25488 8115 1 14 . 1 1 170 170 ALA H H 170 8.371 8.371 8.957 -0.586 25488 8116 1 14 . 1 1 171 171 HIS N N 171 120.286 120.286 118.504 1.782 25488 8117 1 14 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.154 0.576 25488 8118 1 14 . 1 1 171 171 HIS H H 171 8.513 8.513 8.324 0.189 25488 8119 1 14 . 1 1 172 172 PHE N N 172 120.919 120.919 122.300 -1.381 25488 8120 1 14 . 1 1 172 172 PHE H H 172 8.457 8.457 8.936 -0.479 25488 8121 1 14 . 1 1 173 173 ASP N N 173 123.993 123.993 122.049 1.944 25488 8122 1 14 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.190 -1.294 25488 8123 1 14 . 1 1 173 173 ASP H H 173 7.915 7.915 8.626 -0.711 25488 8124 1 14 . 1 1 174 174 GLU N N 174 132.684 132.684 127.825 4.859 25488 8125 1 14 . 1 1 174 174 GLU H H 174 9.461 9.461 8.376 1.085 25488 8126 1 14 . 1 1 175 175 ASP N N 175 117.313 117.313 118.394 -1.081 25488 8127 1 14 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.730 0.067 25488 8128 1 14 . 1 1 175 175 ASP H H 175 8.756 8.756 7.919 0.837 25488 8129 1 14 . 1 1 176 176 GLU N N 176 116.511 116.511 119.437 -2.926 25488 8130 1 14 . 1 1 176 176 GLU H H 176 7.154 7.154 7.346 -0.192 25488 8131 1 14 . 1 1 177 177 ARG N N 177 121.920 121.920 123.673 -1.753 25488 8132 1 14 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.446 0.179 25488 8133 1 14 . 1 1 177 177 ARG H H 177 7.555 7.555 8.387 -0.832 25488 8134 1 14 . 1 1 178 178 TRP N N 178 129.182 129.182 126.664 2.518 25488 8135 1 14 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.444 -0.331 25488 8136 1 14 . 1 1 178 178 TRP H H 178 8.788 8.788 8.709 0.079 25488 8137 1 14 . 1 1 179 179 THR N N 179 112.874 112.874 115.849 -2.975 25488 8138 1 14 . 1 1 179 179 THR HA H 179 5.015 5.015 4.828 0.187 25488 8139 1 14 . 1 1 179 179 THR H H 179 8.946 8.946 9.225 -0.279 25488 8140 1 14 . 1 1 180 180 ASP N N 180 121.969 121.969 121.267 0.702 25488 8141 1 14 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.816 -0.394 25488 8142 1 14 . 1 1 180 180 ASP H H 180 8.478 8.478 8.473 0.005 25488 8143 1 14 . 1 1 181 181 GLY N N 181 110.059 110.059 107.295 2.764 25488 8144 1 14 . 1 1 181 181 GLY H H 181 8.572 8.572 8.191 0.381 25488 8145 1 14 . 1 1 182 182 SER N N 182 115.564 115.564 115.614 -0.050 25488 8146 1 14 . 1 1 182 182 SER HA H 182 4.599 4.599 4.588 0.011 25488 8147 1 14 . 1 1 182 182 SER H H 182 8.173 8.173 8.250 -0.077 25488 8148 1 14 . 1 1 183 183 SER N N 183 117.066 117.066 114.671 2.395 25488 8149 1 14 . 1 1 183 183 SER H H 183 7.819 7.819 8.219 -0.400 25488 8150 1 14 . 1 1 184 184 LEU N N 184 121.954 121.954 120.182 1.772 25488 8151 1 14 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.438 -0.076 25488 8152 1 14 . 1 1 184 184 LEU H H 184 8.104 8.104 7.652 0.452 25488 8153 1 14 . 1 1 185 185 GLY N N 185 108.989 108.989 104.725 4.264 25488 8154 1 14 . 1 1 185 185 GLY H H 185 7.954 7.954 7.278 0.676 25488 8155 1 14 . 1 1 186 186 ILE N N 186 123.084 123.084 120.656 2.428 25488 8156 1 14 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.265 -0.486 25488 8157 1 14 . 1 1 186 186 ILE H H 186 8.878 8.878 8.169 0.709 25488 8158 1 14 . 1 1 187 187 ASN N N 187 126.999 126.999 125.304 1.695 25488 8159 1 14 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.887 -0.491 25488 8160 1 14 . 1 1 187 187 ASN H H 187 8.575 8.575 8.543 0.032 25488 8161 1 14 . 1 1 188 188 PHE N N 188 129.819 129.819 128.483 1.336 25488 8162 1 14 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.455 0.136 25488 8163 1 14 . 1 1 188 188 PHE H H 188 9.365 9.365 9.288 0.077 25488 8164 1 14 . 1 1 189 189 LEU N N 189 119.292 119.292 120.333 -1.041 25488 8165 1 14 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.817 0.016 25488 8166 1 14 . 1 1 189 189 LEU H H 189 8.551 8.551 8.171 0.380 25488 8167 1 14 . 1 1 191 191 ALA N N 191 120.347 120.347 122.154 -1.807 25488 8168 1 14 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.225 0.072 25488 8169 1 14 . 1 1 191 191 ALA H H 191 7.973 7.973 7.744 0.229 25488 8170 1 14 . 1 1 192 192 ALA N N 192 121.365 121.365 121.043 0.322 25488 8171 1 14 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.180 -0.163 25488 8172 1 14 . 1 1 192 192 ALA H H 192 9.258 9.258 8.494 0.764 25488 8173 1 14 . 1 1 193 193 THR N N 193 117.027 117.027 112.913 4.114 25488 8174 1 14 . 1 1 193 193 THR HA H 193 3.825 3.825 3.903 -0.078 25488 8175 1 14 . 1 1 193 193 THR H H 193 8.209 8.209 7.599 0.610 25488 8176 1 14 . 1 1 194 194 HIS N N 194 120.231 120.231 121.904 -1.673 25488 8177 1 14 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.352 -0.119 25488 8178 1 14 . 1 1 194 194 HIS H H 194 7.805 7.805 7.958 -0.153 25488 8179 1 14 . 1 1 195 195 ALA N N 195 121.346 121.346 122.330 -0.984 25488 8180 1 14 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.978 0.202 25488 8181 1 14 . 1 1 195 195 ALA H H 195 8.693 8.693 7.858 0.835 25488 8182 1 14 . 1 1 196 196 LEU N N 196 114.951 114.951 115.244 -0.293 25488 8183 1 14 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.462 -0.304 25488 8184 1 14 . 1 1 196 196 LEU H H 196 8.714 8.714 8.555 0.159 25488 8185 1 14 . 1 1 197 197 GLY N N 197 107.954 107.954 108.128 -0.174 25488 8186 1 14 . 1 1 197 197 GLY H H 197 7.540 7.540 7.822 -0.282 25488 8187 1 14 . 1 1 198 198 HIS N N 198 121.996 121.996 120.550 1.446 25488 8188 1 14 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.270 0.539 25488 8189 1 14 . 1 1 198 198 HIS H H 198 7.205 7.205 7.628 -0.423 25488 8190 1 14 . 1 1 199 199 SER N N 199 118.570 118.570 113.818 4.752 25488 8191 1 14 . 1 1 199 199 SER HA H 199 4.448 4.448 4.656 -0.208 25488 8192 1 14 . 1 1 199 199 SER H H 199 7.886 7.886 7.930 -0.044 25488 8193 1 14 . 1 1 200 200 LEU N N 200 114.779 114.779 117.610 -2.831 25488 8194 1 14 . 1 1 200 200 LEU H H 200 7.106 7.106 7.355 -0.249 25488 8195 1 14 . 1 1 201 201 GLY N N 201 108.350 108.350 106.455 1.895 25488 8196 1 14 . 1 1 201 201 GLY H H 201 8.213 8.213 7.898 0.315 25488 8197 1 14 . 1 1 202 202 MET N N 202 119.623 119.623 120.316 -0.693 25488 8198 1 14 . 1 1 202 202 MET HA H 202 4.484 4.484 4.514 -0.030 25488 8199 1 14 . 1 1 202 202 MET H H 202 8.189 8.189 7.699 0.490 25488 8200 1 14 . 1 1 203 203 GLY N N 203 109.770 109.770 106.213 3.557 25488 8201 1 14 . 1 1 203 203 GLY H H 203 8.413 8.413 8.083 0.330 25488 8202 1 14 . 1 1 204 204 HIS N N 204 115.793 115.793 118.454 -2.661 25488 8203 1 14 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.828 0.546 25488 8204 1 14 . 1 1 204 204 HIS H H 204 8.383 8.383 8.458 -0.075 25488 8205 1 14 . 1 1 205 205 SER N N 205 115.497 115.497 115.676 -0.179 25488 8206 1 14 . 1 1 205 205 SER HA H 205 4.721 4.721 4.767 -0.046 25488 8207 1 14 . 1 1 205 205 SER H H 205 7.223 7.223 8.631 -1.408 25488 8208 1 14 . 1 1 206 206 SER N N 206 119.268 119.268 117.353 1.915 25488 8209 1 14 . 1 1 206 206 SER HA H 206 3.721 3.721 4.694 -0.973 25488 8210 1 14 . 1 1 206 206 SER H H 206 8.290 8.290 8.939 -0.649 25488 8211 1 14 . 1 1 207 207 ASP N N 207 126.656 126.656 122.054 4.602 25488 8212 1 14 . 1 1 207 207 ASP H H 207 8.541 8.541 7.827 0.714 25488 8213 1 14 . 1 1 209 209 ASN N N 209 115.911 115.911 116.597 -0.686 25488 8214 1 14 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.446 0.170 25488 8215 1 14 . 1 1 209 209 ASN H H 209 8.374 8.374 8.361 0.013 25488 8216 1 14 . 1 1 210 210 ALA N N 210 124.929 124.929 121.883 3.046 25488 8217 1 14 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.399 -0.245 25488 8218 1 14 . 1 1 210 210 ALA H H 210 8.182 8.182 7.061 1.121 25488 8219 1 14 . 1 1 211 211 VAL N N 211 130.383 130.383 123.627 6.756 25488 8220 1 14 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.690 0.560 25488 8221 1 14 . 1 1 211 211 VAL H H 211 11.554 11.554 8.835 2.719 25488 8222 1 14 . 1 1 212 212 MET N N 212 113.319 113.319 115.689 -2.370 25488 8223 1 14 . 1 1 212 212 MET H H 212 7.741 7.741 7.928 -0.188 25488 8224 1 14 . 1 1 213 213 TYR N N 213 130.006 130.006 123.506 6.500 25488 8225 1 14 . 1 1 213 213 TYR H H 213 7.899 7.899 7.522 0.377 25488 8226 1 14 . 1 1 215 215 THR N N 215 104.747 104.747 112.357 -7.610 25488 8227 1 14 . 1 1 215 215 THR HA H 215 4.404 4.404 3.981 0.423 25488 8228 1 14 . 1 1 215 215 THR H H 215 6.402 6.402 7.565 -1.163 25488 8229 1 14 . 1 1 216 216 TYR N N 216 124.699 124.699 124.844 -0.145 25488 8230 1 14 . 1 1 216 216 TYR H H 216 8.341 8.341 8.354 -0.013 25488 8231 1 14 . 1 1 217 217 GLY N N 217 116.288 116.288 109.944 6.344 25488 8232 1 14 . 1 1 217 217 GLY H H 217 7.685 7.685 8.324 -0.639 25488 8233 1 14 . 1 1 218 218 ASN N N 218 119.920 119.920 115.230 4.690 25488 8234 1 14 . 1 1 218 218 ASN HA H 218 4.620 4.620 5.036 -0.416 25488 8235 1 14 . 1 1 218 218 ASN H H 218 8.221 8.221 8.577 -0.356 25488 8236 1 14 . 1 1 219 219 GLY N N 219 109.601 109.601 108.454 1.147 25488 8237 1 14 . 1 1 219 219 GLY H H 219 8.072 8.072 7.782 0.290 25488 8238 1 14 . 1 1 220 220 ASP N N 220 123.006 123.006 120.524 2.482 25488 8239 1 14 . 1 1 220 220 ASP H H 220 8.280 8.280 8.443 -0.163 25488 8240 1 14 . 1 1 222 222 GLN N N 222 116.642 116.642 121.903 -5.261 25488 8241 1 14 . 1 1 222 222 GLN H H 222 8.215 8.215 8.645 -0.430 25488 8242 1 14 . 1 1 223 223 ASN N N 223 118.361 118.361 118.030 0.331 25488 8243 1 14 . 1 1 223 223 ASN H H 223 7.970 7.970 7.787 0.183 25488 8244 1 14 . 1 1 225 225 LYS N N 225 122.215 122.215 125.912 -3.697 25488 8245 1 14 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.362 0.055 25488 8246 1 14 . 1 1 225 225 LYS H H 225 7.656 7.656 7.653 0.003 25488 8247 1 14 . 1 1 226 226 LEU N N 226 119.165 119.165 121.807 -2.642 25488 8248 1 14 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.594 -0.506 25488 8249 1 14 . 1 1 226 226 LEU H H 226 7.984 7.984 8.109 -0.125 25488 8250 1 14 . 1 1 227 227 SER N N 227 120.520 120.520 114.945 5.575 25488 8251 1 14 . 1 1 227 227 SER HA H 227 4.676 4.676 4.528 0.148 25488 8252 1 14 . 1 1 227 227 SER H H 227 9.646 9.646 8.312 1.334 25488 8253 1 14 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.198 0.476 25488 8254 1 14 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.413 -0.039 25488 8255 1 14 . 1 1 229 229 ASP H H 229 8.113 8.113 7.829 0.284 25488 8256 1 14 . 1 1 230 230 ASP N N 230 119.878 119.878 117.739 2.139 25488 8257 1 14 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.601 -0.263 25488 8258 1 14 . 1 1 230 230 ASP H H 230 7.397 7.397 7.750 -0.353 25488 8259 1 14 . 1 1 231 231 ILE N N 231 120.389 120.389 120.352 0.037 25488 8260 1 14 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.776 -0.121 25488 8261 1 14 . 1 1 231 231 ILE H H 231 8.100 8.100 7.647 0.453 25488 8262 1 14 . 1 1 232 232 LYS N N 232 119.084 119.084 120.107 -1.023 25488 8263 1 14 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.096 -0.001 25488 8264 1 14 . 1 1 232 232 LYS H H 232 8.581 8.581 8.122 0.459 25488 8265 1 14 . 1 1 233 233 GLY N N 233 106.424 106.424 105.944 0.480 25488 8266 1 14 . 1 1 233 233 GLY H H 233 8.061 8.061 7.692 0.369 25488 8267 1 14 . 1 1 234 234 ILE N N 234 125.166 125.166 121.938 3.228 25488 8268 1 14 . 1 1 234 234 ILE H H 234 8.517 8.517 8.045 0.472 25488 8269 1 14 . 1 1 235 235 GLN N N 235 122.969 122.969 119.100 3.869 25488 8270 1 14 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.100 0.281 25488 8271 1 14 . 1 1 235 235 GLN H H 235 8.291 8.291 7.910 0.381 25488 8272 1 14 . 1 1 236 236 LYS N N 236 123.770 123.770 116.320 7.450 25488 8273 1 14 . 1 1 236 236 LYS H H 236 8.035 8.035 7.859 0.176 25488 8274 1 14 . 1 1 237 237 LEU N N 237 116.854 116.854 118.157 -1.303 25488 8275 1 14 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.012 -0.053 25488 8276 1 14 . 1 1 237 237 LEU H H 237 6.886 6.886 7.486 -0.600 25488 8277 1 14 . 1 1 238 238 TYR N N 238 112.132 112.132 113.371 -1.239 25488 8278 1 14 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.708 -0.082 25488 8279 1 14 . 1 1 238 238 TYR H H 238 7.459 7.459 7.418 0.041 25488 8280 1 14 . 1 1 239 239 GLY N N 239 110.898 110.898 106.865 4.033 25488 8281 1 14 . 1 1 239 239 GLY H H 239 8.442 8.442 7.531 0.911 25488 8282 1 14 . 1 1 240 240 LYS N N 240 114.400 114.400 120.913 -6.513 25488 8283 1 14 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.528 0.276 25488 8284 1 14 . 1 1 240 240 LYS H H 240 7.865 7.865 8.402 -0.537 25488 8285 1 14 . 1 1 241 241 ARG N N 241 123.851 123.851 120.581 3.270 25488 8286 1 14 . 1 1 241 241 ARG H H 241 7.760 7.760 8.512 -0.752 25488 8287 1 14 . 1 1 242 242 SER N N 242 135.647 135.647 114.311 21.336 25488 8288 1 14 . 1 1 242 242 SER H H 242 9.158 9.158 8.477 0.681 25488 8289 1 15 . 1 1 3 3 GLU N N 3 121.690 121.690 127.011 -5.321 25488 8290 1 15 . 1 1 3 3 GLU H H 3 8.332 8.332 8.993 -0.661 25488 8291 1 15 . 1 1 4 4 ALA N N 4 124.526 124.526 121.098 3.428 25488 8292 1 15 . 1 1 4 4 ALA H H 4 8.111 8.111 8.226 -0.115 25488 8293 1 15 . 1 1 5 5 GLY N N 5 108.229 108.229 105.563 2.666 25488 8294 1 15 . 1 1 5 5 GLY H H 5 8.286 8.286 8.030 0.256 25488 8295 1 15 . 1 1 6 6 GLY N N 6 108.867 108.867 108.224 0.643 25488 8296 1 15 . 1 1 6 6 GLY H H 6 8.239 8.239 7.814 0.425 25488 8297 1 15 . 1 1 7 7 MET N N 7 119.984 119.984 120.196 -0.212 25488 8298 1 15 . 1 1 7 7 MET H H 7 8.044 8.044 7.516 0.527 25488 8299 1 15 . 1 1 8 8 SER N N 8 118.771 118.771 115.094 3.677 25488 8300 1 15 . 1 1 8 8 SER HA H 8 4.239 4.239 4.667 -0.428 25488 8301 1 15 . 1 1 8 8 SER H H 8 8.738 8.738 8.246 0.492 25488 8302 1 15 . 1 1 9 9 GLU N N 9 122.551 122.551 121.634 0.917 25488 8303 1 15 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.331 -0.079 25488 8304 1 15 . 1 1 9 9 GLU H H 9 8.919 8.919 9.083 -0.164 25488 8305 1 15 . 1 1 10 10 LEU N N 10 120.638 120.638 120.060 0.578 25488 8306 1 15 . 1 1 10 10 LEU H H 10 8.017 8.017 7.996 0.021 25488 8307 1 15 . 1 1 11 11 GLN N N 11 119.889 119.889 118.236 1.653 25488 8308 1 15 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.992 0.142 25488 8309 1 15 . 1 1 11 11 GLN H H 11 7.807 7.807 8.257 -0.450 25488 8310 1 15 . 1 1 12 12 TRP N N 12 120.951 120.951 122.825 -1.874 25488 8311 1 15 . 1 1 12 12 TRP H H 12 8.202 8.202 8.231 -0.029 25488 8312 1 15 . 1 1 13 13 GLU N N 13 121.870 121.870 119.517 2.353 25488 8313 1 15 . 1 1 13 13 GLU H H 13 8.436 8.436 7.982 0.454 25488 8314 1 15 . 1 1 14 14 GLN N N 14 120.646 120.646 118.188 2.458 25488 8315 1 15 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.118 0.051 25488 8316 1 15 . 1 1 14 14 GLN H H 14 8.159 8.159 7.645 0.514 25488 8317 1 15 . 1 1 15 15 ALA N N 15 123.216 123.216 122.424 0.792 25488 8318 1 15 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.063 0.275 25488 8319 1 15 . 1 1 15 15 ALA H H 15 8.355 8.355 8.409 -0.054 25488 8320 1 15 . 1 1 16 16 GLN N N 16 117.766 117.766 116.006 1.760 25488 8321 1 15 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.108 -0.403 25488 8322 1 15 . 1 1 16 16 GLN H H 16 8.440 8.440 8.308 0.132 25488 8323 1 15 . 1 1 17 17 ASP N N 17 120.090 120.090 119.883 0.207 25488 8324 1 15 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.467 -0.004 25488 8325 1 15 . 1 1 17 17 ASP H H 17 7.899 7.899 7.553 0.346 25488 8326 1 15 . 1 1 18 18 TYR N N 18 122.296 122.296 120.841 1.455 25488 8327 1 15 . 1 1 18 18 TYR H H 18 8.264 8.264 7.960 0.304 25488 8328 1 15 . 1 1 19 19 LEU N N 19 117.675 117.675 116.819 0.856 25488 8329 1 15 . 1 1 19 19 LEU HA H 19 4.125 4.125 2.801 1.324 25488 8330 1 15 . 1 1 19 19 LEU H H 19 8.687 8.687 7.518 1.169 25488 8331 1 15 . 1 1 20 20 LYS N N 20 124.620 124.620 116.980 7.640 25488 8332 1 15 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.937 0.206 25488 8333 1 15 . 1 1 20 20 LYS H H 20 8.790 8.790 7.259 1.531 25488 8334 1 15 . 1 1 21 21 ARG N N 21 117.608 117.608 118.279 -0.671 25488 8335 1 15 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.061 -0.364 25488 8336 1 15 . 1 1 21 21 ARG H H 21 7.835 7.835 7.319 0.516 25488 8337 1 15 . 1 1 22 22 PHE N N 22 112.136 112.136 115.375 -3.239 25488 8338 1 15 . 1 1 22 22 PHE H H 22 8.003 8.003 7.245 0.758 25488 8339 1 15 . 1 1 23 23 TYR N N 23 116.244 116.244 114.675 1.569 25488 8340 1 15 . 1 1 23 23 TYR H H 23 7.678 7.678 7.946 -0.268 25488 8341 1 15 . 1 1 24 24 LEU N N 24 115.582 115.582 119.846 -4.264 25488 8342 1 15 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.025 0.110 25488 8343 1 15 . 1 1 24 24 LEU H H 24 7.238 7.238 7.608 -0.370 25488 8344 1 15 . 1 1 25 25 TYR N N 25 119.996 119.996 118.426 1.570 25488 8345 1 15 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.647 -0.242 25488 8346 1 15 . 1 1 25 25 TYR H H 25 7.826 7.826 7.728 0.098 25488 8347 1 15 . 1 1 26 26 ASP N N 26 129.292 129.292 124.806 4.486 25488 8348 1 15 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.611 -0.150 25488 8349 1 15 . 1 1 26 26 ASP H H 26 8.121 8.121 7.981 0.140 25488 8350 1 15 . 1 1 28 28 GLU N N 28 122.115 122.115 120.866 1.249 25488 8351 1 15 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.270 0.011 25488 8352 1 15 . 1 1 28 28 GLU H H 28 8.262 8.262 7.730 0.532 25488 8353 1 15 . 1 1 29 29 THR N N 29 114.171 114.171 113.645 0.526 25488 8354 1 15 . 1 1 29 29 THR HA H 29 4.222 4.222 4.231 -0.009 25488 8355 1 15 . 1 1 29 29 THR H H 29 7.496 7.496 7.244 0.252 25488 8356 1 15 . 1 1 30 30 LYS N N 30 123.019 123.019 122.022 0.997 25488 8357 1 15 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.169 0.049 25488 8358 1 15 . 1 1 30 30 LYS H H 30 8.154 8.154 7.414 0.740 25488 8359 1 15 . 1 1 32 32 ALA N N 32 126.481 126.481 127.723 -1.242 25488 8360 1 15 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.925 0.325 25488 8361 1 15 . 1 1 32 32 ALA H H 32 8.424 8.424 8.661 -0.237 25488 8362 1 15 . 1 1 33 33 ASN N N 33 116.834 116.834 116.651 0.183 25488 8363 1 15 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.471 0.227 25488 8364 1 15 . 1 1 33 33 ASN H H 33 8.312 8.312 8.329 -0.017 25488 8365 1 15 . 1 1 34 34 SER N N 34 116.960 116.960 116.520 0.440 25488 8366 1 15 . 1 1 34 34 SER HA H 34 4.522 4.522 4.201 0.321 25488 8367 1 15 . 1 1 34 34 SER H H 34 8.112 8.112 7.912 0.200 25488 8368 1 15 . 1 1 35 35 LEU N N 35 125.335 125.335 122.685 2.650 25488 8369 1 15 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.137 -0.586 25488 8370 1 15 . 1 1 35 35 LEU H H 35 8.324 8.324 8.594 -0.270 25488 8371 1 15 . 1 1 36 36 GLU N N 36 119.302 119.302 119.658 -0.356 25488 8372 1 15 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.078 -0.135 25488 8373 1 15 . 1 1 36 36 GLU H H 36 8.239 8.239 8.171 0.069 25488 8374 1 15 . 1 1 37 37 ALA N N 37 120.683 120.683 122.421 -1.738 25488 8375 1 15 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.134 -0.087 25488 8376 1 15 . 1 1 37 37 ALA H H 37 7.898 7.898 8.261 -0.363 25488 8377 1 15 . 1 1 38 38 LYS N N 38 119.470 119.470 119.733 -0.263 25488 8378 1 15 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.011 0.322 25488 8379 1 15 . 1 1 38 38 LYS H H 38 8.217 8.217 7.909 0.308 25488 8380 1 15 . 1 1 39 39 LEU N N 39 122.664 122.664 119.618 3.046 25488 8381 1 15 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.053 -0.139 25488 8382 1 15 . 1 1 39 39 LEU H H 39 8.658 8.658 8.556 0.102 25488 8383 1 15 . 1 1 40 40 LYS N N 40 118.301 118.301 118.721 -0.420 25488 8384 1 15 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.959 0.714 25488 8385 1 15 . 1 1 40 40 LYS H H 40 8.221 8.221 7.656 0.565 25488 8386 1 15 . 1 1 41 41 GLU N N 41 121.462 121.462 119.856 1.606 25488 8387 1 15 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.196 -0.128 25488 8388 1 15 . 1 1 41 41 GLU H H 41 7.736 7.736 7.916 -0.180 25488 8389 1 15 . 1 1 42 42 MET N N 42 123.761 123.761 119.833 3.928 25488 8390 1 15 . 1 1 42 42 MET HA H 42 4.046 4.046 4.123 -0.077 25488 8391 1 15 . 1 1 42 42 MET H H 42 7.672 7.672 8.435 -0.763 25488 8392 1 15 . 1 1 43 43 GLN N N 43 120.035 120.035 117.246 2.789 25488 8393 1 15 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.996 -0.200 25488 8394 1 15 . 1 1 43 43 GLN H H 43 8.904 8.904 7.964 0.940 25488 8395 1 15 . 1 1 44 44 LYS N N 44 119.131 119.131 120.665 -1.534 25488 8396 1 15 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.082 -0.030 25488 8397 1 15 . 1 1 44 44 LYS H H 44 8.511 8.511 7.511 1.000 25488 8398 1 15 . 1 1 45 45 PHE N N 45 123.544 123.544 119.689 3.855 25488 8399 1 15 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.244 -0.394 25488 8400 1 15 . 1 1 45 45 PHE H H 45 8.438 8.438 8.232 0.206 25488 8401 1 15 . 1 1 46 46 PHE N N 46 112.789 112.789 115.828 -3.039 25488 8402 1 15 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.224 0.358 25488 8403 1 15 . 1 1 46 46 PHE H H 46 8.273 8.273 7.856 0.417 25488 8404 1 15 . 1 1 47 47 GLY N N 47 110.408 110.408 108.086 2.322 25488 8405 1 15 . 1 1 47 47 GLY H H 47 7.922 7.922 7.830 0.092 25488 8406 1 15 . 1 1 48 48 LEU N N 48 121.853 121.853 122.189 -0.336 25488 8407 1 15 . 1 1 48 48 LEU H H 48 8.747 8.747 7.835 0.912 25488 8408 1 15 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.549 -0.348 25488 8409 1 15 . 1 1 50 50 ILE N N 50 127.000 127.000 119.910 7.090 25488 8410 1 15 . 1 1 50 50 ILE H H 50 8.529 8.529 7.787 0.742 25488 8411 1 15 . 1 1 51 51 THR N N 51 116.519 116.519 116.576 -0.057 25488 8412 1 15 . 1 1 51 51 THR H H 51 7.980 7.980 8.233 -0.253 25488 8413 1 15 . 1 1 52 52 GLY N N 52 112.725 112.725 115.172 -2.447 25488 8414 1 15 . 1 1 52 52 GLY H H 52 9.483 9.483 9.620 -0.137 25488 8415 1 15 . 1 1 53 53 MET N N 53 116.735 116.735 120.206 -3.471 25488 8416 1 15 . 1 1 53 53 MET HA H 53 4.044 4.044 4.623 -0.579 25488 8417 1 15 . 1 1 53 53 MET H H 53 7.969 7.969 8.579 -0.610 25488 8418 1 15 . 1 1 54 54 LEU N N 54 122.602 122.602 125.626 -3.024 25488 8419 1 15 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.830 -1.124 25488 8420 1 15 . 1 1 54 54 LEU H H 54 7.926 7.926 8.384 -0.458 25488 8421 1 15 . 1 1 55 55 ASN N N 55 115.755 115.755 122.108 -6.353 25488 8422 1 15 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.030 -0.290 25488 8423 1 15 . 1 1 55 55 ASN H H 55 6.555 6.555 8.534 -1.979 25488 8424 1 15 . 1 1 56 56 SER N N 56 121.450 121.450 118.562 2.888 25488 8425 1 15 . 1 1 56 56 SER HA H 56 4.662 4.662 4.261 0.401 25488 8426 1 15 . 1 1 56 56 SER H H 56 8.205 8.205 8.904 -0.699 25488 8427 1 15 . 1 1 57 57 ARG N N 57 123.219 123.219 122.683 0.536 25488 8428 1 15 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.050 0.156 25488 8429 1 15 . 1 1 57 57 ARG H H 57 7.883 7.883 8.301 -0.418 25488 8430 1 15 . 1 1 58 58 VAL N N 58 118.843 118.843 117.409 1.434 25488 8431 1 15 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.755 -0.455 25488 8432 1 15 . 1 1 58 58 VAL H H 58 7.594 7.594 7.641 -0.047 25488 8433 1 15 . 1 1 59 59 ILE N N 59 119.212 119.212 120.358 -1.146 25488 8434 1 15 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.531 -0.062 25488 8435 1 15 . 1 1 59 59 ILE H H 59 7.326 7.326 7.905 -0.579 25488 8436 1 15 . 1 1 60 60 GLU N N 60 119.544 119.544 120.915 -1.371 25488 8437 1 15 . 1 1 60 60 GLU H H 60 7.880 7.880 7.697 0.183 25488 8438 1 15 . 1 1 61 61 ILE N N 61 118.812 118.812 113.197 5.615 25488 8439 1 15 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.444 -0.002 25488 8440 1 15 . 1 1 61 61 ILE H H 61 7.217 7.217 6.995 0.222 25488 8441 1 15 . 1 1 62 62 MET N N 62 120.202 120.202 118.271 1.931 25488 8442 1 15 . 1 1 62 62 MET HA H 62 3.419 3.419 4.200 -0.781 25488 8443 1 15 . 1 1 62 62 MET H H 62 7.820 7.820 7.075 0.745 25488 8444 1 15 . 1 1 63 63 GLN N N 63 116.274 116.274 114.619 1.655 25488 8445 1 15 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.490 -0.249 25488 8446 1 15 . 1 1 63 63 GLN H H 63 7.442 7.442 7.957 -0.515 25488 8447 1 15 . 1 1 64 64 LYS N N 64 121.450 121.450 122.976 -1.526 25488 8448 1 15 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.103 0.396 25488 8449 1 15 . 1 1 64 64 LYS H H 64 7.474 7.474 7.256 0.218 25488 8450 1 15 . 1 1 66 66 ARG N N 66 113.173 113.173 121.401 -8.228 25488 8451 1 15 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.492 -0.053 25488 8452 1 15 . 1 1 66 66 ARG H H 66 8.151 8.151 7.752 0.399 25488 8453 1 15 . 1 1 67 67 CYS N N 67 121.794 121.794 117.739 4.055 25488 8454 1 15 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.756 -0.336 25488 8455 1 15 . 1 1 67 67 CYS H H 67 7.709 7.709 8.237 -0.528 25488 8456 1 15 . 1 1 68 68 GLY N N 68 116.255 116.255 109.316 6.939 25488 8457 1 15 . 1 1 68 68 GLY H H 68 9.707 9.707 8.665 1.042 25488 8458 1 15 . 1 1 69 69 VAL N N 69 126.541 126.541 114.933 11.608 25488 8459 1 15 . 1 1 69 69 VAL HA H 69 3.807 3.807 3.835 -0.028 25488 8460 1 15 . 1 1 69 69 VAL H H 69 9.118 9.118 6.901 2.217 25488 8461 1 15 . 1 1 71 71 ASP N N 71 119.114 119.114 127.238 -8.124 25488 8462 1 15 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.519 -0.036 25488 8463 1 15 . 1 1 71 71 ASP H H 71 8.067 8.067 8.178 -0.111 25488 8464 1 15 . 1 1 72 72 VAL N N 72 112.988 112.988 117.785 -4.797 25488 8465 1 15 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.302 -0.021 25488 8466 1 15 . 1 1 72 72 VAL H H 72 6.438 6.438 7.224 -0.786 25488 8467 1 15 . 1 1 73 73 ALA N N 73 125.902 125.902 127.152 -1.250 25488 8468 1 15 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.377 -0.110 25488 8469 1 15 . 1 1 73 73 ALA H H 73 8.171 8.171 8.525 -0.354 25488 8470 1 15 . 1 1 74 74 GLU N N 74 120.835 120.835 124.229 -3.394 25488 8471 1 15 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.524 -0.441 25488 8472 1 15 . 1 1 74 74 GLU H H 74 8.385 8.385 7.912 0.473 25488 8473 1 15 . 1 1 75 75 TYR N N 75 121.820 121.820 119.511 2.309 25488 8474 1 15 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.301 0.093 25488 8475 1 15 . 1 1 75 75 TYR H H 75 8.102 8.102 8.790 -0.688 25488 8476 1 15 . 1 1 76 76 SER N N 76 117.881 117.881 114.627 3.254 25488 8477 1 15 . 1 1 76 76 SER H H 76 7.718 7.718 8.794 -1.076 25488 8478 1 15 . 1 1 77 77 LEU N N 77 123.835 123.835 120.149 3.686 25488 8479 1 15 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.243 -0.151 25488 8480 1 15 . 1 1 77 77 LEU H H 77 8.033 8.033 7.527 0.506 25488 8481 1 15 . 1 1 78 78 PHE N N 78 118.893 118.893 121.625 -2.732 25488 8482 1 15 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.720 0.125 25488 8483 1 15 . 1 1 78 78 PHE H H 78 7.822 7.822 7.503 0.319 25488 8484 1 15 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.346 -0.015 25488 8485 1 15 . 1 1 80 80 ASN N N 80 118.184 118.184 119.313 -1.129 25488 8486 1 15 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.507 0.173 25488 8487 1 15 . 1 1 80 80 ASN H H 80 8.106 8.106 8.708 -0.602 25488 8488 1 15 . 1 1 81 81 SER HA H 81 4.636 4.636 4.694 -0.058 25488 8489 1 15 . 1 1 83 83 LYS N N 83 114.696 114.696 115.571 -0.875 25488 8490 1 15 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.520 -0.297 25488 8491 1 15 . 1 1 83 83 LYS H H 83 7.361 7.361 7.910 -0.549 25488 8492 1 15 . 1 1 84 84 TRP N N 84 122.459 122.459 121.250 1.209 25488 8493 1 15 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.876 -0.873 25488 8494 1 15 . 1 1 84 84 TRP H H 84 8.020 8.020 8.673 -0.653 25488 8495 1 15 . 1 1 85 85 THR N N 85 113.482 113.482 117.834 -4.352 25488 8496 1 15 . 1 1 85 85 THR HA H 85 4.586 4.586 4.239 0.347 25488 8497 1 15 . 1 1 85 85 THR H H 85 8.833 8.833 8.758 0.075 25488 8498 1 15 . 1 1 86 86 SER N N 86 117.316 117.316 114.277 3.039 25488 8499 1 15 . 1 1 86 86 SER HA H 86 4.665 4.665 4.762 -0.097 25488 8500 1 15 . 1 1 86 86 SER H H 86 7.724 7.724 7.788 -0.064 25488 8501 1 15 . 1 1 87 87 LYS N N 87 120.411 120.411 122.165 -1.754 25488 8502 1 15 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.284 -0.145 25488 8503 1 15 . 1 1 87 87 LYS H H 87 8.312 8.312 8.604 -0.292 25488 8504 1 15 . 1 1 88 88 VAL N N 88 117.674 117.674 120.965 -3.291 25488 8505 1 15 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.217 0.434 25488 8506 1 15 . 1 1 88 88 VAL H H 88 7.425 7.425 7.250 0.175 25488 8507 1 15 . 1 1 89 89 VAL N N 89 131.493 131.493 126.244 5.249 25488 8508 1 15 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.540 -0.399 25488 8509 1 15 . 1 1 89 89 VAL H H 89 8.574 8.574 8.510 0.064 25488 8510 1 15 . 1 1 90 90 THR N N 90 118.245 118.245 117.576 0.669 25488 8511 1 15 . 1 1 90 90 THR HA H 90 5.627 5.627 5.294 0.333 25488 8512 1 15 . 1 1 90 90 THR H H 90 9.021 9.021 9.039 -0.018 25488 8513 1 15 . 1 1 91 91 TYR N N 91 118.267 118.267 120.424 -2.157 25488 8514 1 15 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.716 -0.042 25488 8515 1 15 . 1 1 91 91 TYR H H 91 8.555 8.555 8.709 -0.154 25488 8516 1 15 . 1 1 92 92 ARG N N 92 120.260 120.260 121.873 -1.613 25488 8517 1 15 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.112 -0.466 25488 8518 1 15 . 1 1 92 92 ARG H H 92 8.513 8.513 8.190 0.323 25488 8519 1 15 . 1 1 93 93 ILE N N 93 128.361 128.361 126.771 1.590 25488 8520 1 15 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.459 0.160 25488 8521 1 15 . 1 1 93 93 ILE H H 93 8.878 8.878 8.954 -0.076 25488 8522 1 15 . 1 1 94 94 VAL N N 94 126.374 126.374 128.021 -1.647 25488 8523 1 15 . 1 1 94 94 VAL HA H 94 4.000 4.000 3.941 0.059 25488 8524 1 15 . 1 1 94 94 VAL H H 94 9.492 9.492 8.828 0.664 25488 8525 1 15 . 1 1 95 95 SER N N 95 113.303 113.303 112.730 0.573 25488 8526 1 15 . 1 1 95 95 SER HA H 95 4.705 4.705 4.783 -0.078 25488 8527 1 15 . 1 1 95 95 SER H H 95 7.431 7.431 7.590 -0.159 25488 8528 1 15 . 1 1 96 96 TYR N N 96 117.054 117.054 119.229 -2.175 25488 8529 1 15 . 1 1 96 96 TYR H H 96 8.255 8.255 7.808 0.447 25488 8530 1 15 . 1 1 98 98 ARG N N 98 128.445 128.445 124.393 4.052 25488 8531 1 15 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.113 0.225 25488 8532 1 15 . 1 1 98 98 ARG H H 98 8.964 8.964 8.378 0.586 25488 8533 1 15 . 1 1 99 99 ASP N N 99 120.412 120.412 119.054 1.358 25488 8534 1 15 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.589 -0.254 25488 8535 1 15 . 1 1 99 99 ASP H H 99 8.695 8.695 8.570 0.125 25488 8536 1 15 . 1 1 100 100 LEU N N 100 116.851 116.851 119.851 -3.000 25488 8537 1 15 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.750 0.183 25488 8538 1 15 . 1 1 100 100 LEU H H 100 6.902 6.902 7.238 -0.336 25488 8539 1 15 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.242 0.925 25488 8540 1 15 . 1 1 103 103 ILE N N 103 115.469 115.469 113.850 1.619 25488 8541 1 15 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.557 0.616 25488 8542 1 15 . 1 1 103 103 ILE H H 103 8.296 8.296 7.980 0.316 25488 8543 1 15 . 1 1 104 104 THR N N 104 119.413 119.413 113.382 6.031 25488 8544 1 15 . 1 1 104 104 THR HA H 104 4.019 4.019 3.998 0.021 25488 8545 1 15 . 1 1 104 104 THR H H 104 6.915 6.915 8.178 -1.263 25488 8546 1 15 . 1 1 105 105 VAL N N 105 123.232 123.232 120.505 2.727 25488 8547 1 15 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.716 -0.302 25488 8548 1 15 . 1 1 105 105 VAL H H 105 7.379 7.379 7.243 0.136 25488 8549 1 15 . 1 1 106 106 ASP N N 106 120.160 120.160 119.957 0.203 25488 8550 1 15 . 1 1 106 106 ASP H H 106 8.615 8.615 7.796 0.819 25488 8551 1 15 . 1 1 107 107 ARG N N 107 121.041 121.041 117.652 3.389 25488 8552 1 15 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.061 0.029 25488 8553 1 15 . 1 1 107 107 ARG H H 107 8.372 8.372 8.059 0.313 25488 8554 1 15 . 1 1 108 108 LEU N N 108 121.644 121.644 119.427 2.217 25488 8555 1 15 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.257 -0.004 25488 8556 1 15 . 1 1 108 108 LEU H H 108 8.768 8.768 7.485 1.283 25488 8557 1 15 . 1 1 109 109 VAL N N 109 120.347 120.347 117.860 2.487 25488 8558 1 15 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.523 -0.152 25488 8559 1 15 . 1 1 109 109 VAL H H 109 8.762 8.762 8.436 0.326 25488 8560 1 15 . 1 1 110 110 SER N N 110 112.949 112.949 117.714 -4.765 25488 8561 1 15 . 1 1 110 110 SER HA H 110 4.270 4.270 4.018 0.252 25488 8562 1 15 . 1 1 110 110 SER H H 110 7.605 7.605 7.841 -0.236 25488 8563 1 15 . 1 1 111 111 LYS N N 111 122.434 122.434 120.983 1.451 25488 8564 1 15 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.120 -0.078 25488 8565 1 15 . 1 1 111 111 LYS H H 111 8.146 8.146 7.427 0.719 25488 8566 1 15 . 1 1 112 112 ALA N N 112 124.099 124.099 122.876 1.223 25488 8567 1 15 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.971 0.106 25488 8568 1 15 . 1 1 112 112 ALA H H 112 8.270 8.270 7.513 0.757 25488 8569 1 15 . 1 1 113 113 LEU N N 113 116.251 116.251 117.872 -1.621 25488 8570 1 15 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.772 -0.050 25488 8571 1 15 . 1 1 113 113 LEU H H 113 8.019 8.019 7.660 0.359 25488 8572 1 15 . 1 1 114 114 ASN N N 114 116.659 116.659 117.149 -0.490 25488 8573 1 15 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.471 0.058 25488 8574 1 15 . 1 1 114 114 ASN H H 114 8.197 8.197 8.553 -0.356 25488 8575 1 15 . 1 1 115 115 MET N N 115 122.118 122.118 120.145 1.973 25488 8576 1 15 . 1 1 115 115 MET HA H 115 4.013 4.013 4.041 -0.028 25488 8577 1 15 . 1 1 115 115 MET H H 115 7.918 7.918 7.417 0.501 25488 8578 1 15 . 1 1 116 116 TRP N N 116 117.117 117.117 117.587 -0.470 25488 8579 1 15 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.523 -0.013 25488 8580 1 15 . 1 1 116 116 TRP H H 116 6.773 6.773 7.487 -0.714 25488 8581 1 15 . 1 1 117 117 GLY N N 117 104.656 104.656 105.696 -1.040 25488 8582 1 15 . 1 1 117 117 GLY H H 117 9.305 9.305 8.390 0.915 25488 8583 1 15 . 1 1 118 118 LYS N N 118 118.567 118.567 120.035 -1.468 25488 8584 1 15 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.117 0.060 25488 8585 1 15 . 1 1 118 118 LYS H H 118 7.947 7.947 7.940 0.007 25488 8586 1 15 . 1 1 119 119 GLU N N 119 113.899 113.899 116.517 -2.618 25488 8587 1 15 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.411 0.397 25488 8588 1 15 . 1 1 119 119 GLU H H 119 7.773 7.773 8.179 -0.406 25488 8589 1 15 . 1 1 120 120 ILE N N 120 111.215 111.215 119.929 -8.714 25488 8590 1 15 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.921 0.400 25488 8591 1 15 . 1 1 120 120 ILE H H 120 7.528 7.528 7.583 -0.055 25488 8592 1 15 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.414 0.207 25488 8593 1 15 . 1 1 122 122 LEU N N 122 121.481 121.481 122.400 -0.919 25488 8594 1 15 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.425 -0.133 25488 8595 1 15 . 1 1 122 122 LEU H H 122 6.815 6.815 8.193 -1.378 25488 8596 1 15 . 1 1 123 123 HIS N N 123 120.769 120.769 123.284 -2.515 25488 8597 1 15 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.616 -0.024 25488 8598 1 15 . 1 1 123 123 HIS H H 123 7.709 7.709 8.295 -0.586 25488 8599 1 15 . 1 1 124 124 PHE N N 124 120.530 120.530 123.866 -3.336 25488 8600 1 15 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.240 0.572 25488 8601 1 15 . 1 1 124 124 PHE H H 124 8.306 8.306 8.692 -0.386 25488 8602 1 15 . 1 1 125 125 ARG N N 125 123.891 123.891 125.459 -1.568 25488 8603 1 15 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.773 -0.120 25488 8604 1 15 . 1 1 125 125 ARG H H 125 8.408 8.408 8.777 -0.369 25488 8605 1 15 . 1 1 126 126 LYS N N 126 130.178 130.178 125.606 4.572 25488 8606 1 15 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.680 -0.319 25488 8607 1 15 . 1 1 126 126 LYS H H 126 8.468 8.468 8.490 -0.022 25488 8608 1 15 . 1 1 127 127 VAL N N 127 125.180 125.180 127.545 -2.365 25488 8609 1 15 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.227 0.281 25488 8610 1 15 . 1 1 127 127 VAL H H 127 8.679 8.679 8.319 0.360 25488 8611 1 15 . 1 1 128 128 VAL N N 128 117.584 117.584 125.336 -7.752 25488 8612 1 15 . 1 1 128 128 VAL HA H 128 4.286 4.286 3.979 0.307 25488 8613 1 15 . 1 1 128 128 VAL H H 128 8.469 8.469 8.580 -0.111 25488 8614 1 15 . 1 1 129 129 TRP N N 129 119.805 119.805 120.681 -0.876 25488 8615 1 15 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.933 -0.247 25488 8616 1 15 . 1 1 129 129 TRP H H 129 7.447 7.447 7.725 -0.278 25488 8617 1 15 . 1 1 130 130 GLY N N 130 109.844 109.844 110.455 -0.611 25488 8618 1 15 . 1 1 130 130 GLY H H 130 8.072 8.072 8.371 -0.299 25488 8619 1 15 . 1 1 131 131 THR N N 131 116.125 116.125 112.041 4.084 25488 8620 1 15 . 1 1 131 131 THR HA H 131 4.123 4.123 4.386 -0.263 25488 8621 1 15 . 1 1 131 131 THR H H 131 8.196 8.196 8.267 -0.071 25488 8622 1 15 . 1 1 132 132 ALA N N 132 129.613 129.613 125.753 3.860 25488 8623 1 15 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.414 0.097 25488 8624 1 15 . 1 1 132 132 ALA H H 132 7.919 7.919 8.080 -0.161 25488 8625 1 15 . 1 1 133 133 ASP N N 133 123.004 123.004 121.903 1.101 25488 8626 1 15 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.620 -0.178 25488 8627 1 15 . 1 1 133 133 ASP H H 133 8.248 8.248 8.419 -0.171 25488 8628 1 15 . 1 1 134 134 ILE N N 134 125.478 125.478 122.218 3.260 25488 8629 1 15 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.362 -0.270 25488 8630 1 15 . 1 1 134 134 ILE H H 134 8.804 8.804 7.485 1.319 25488 8631 1 15 . 1 1 135 135 MET N N 135 127.471 127.471 127.388 0.083 25488 8632 1 15 . 1 1 135 135 MET HA H 135 5.194 5.194 4.950 0.244 25488 8633 1 15 . 1 1 135 135 MET H H 135 7.437 7.437 9.106 -1.669 25488 8634 1 15 . 1 1 136 136 ILE N N 136 125.040 125.040 125.406 -0.366 25488 8635 1 15 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.102 0.475 25488 8636 1 15 . 1 1 136 136 ILE H H 136 9.085 9.085 9.216 -0.131 25488 8637 1 15 . 1 1 137 137 GLY N N 137 112.059 112.059 114.576 -2.517 25488 8638 1 15 . 1 1 137 137 GLY H H 137 8.568 8.568 9.468 -0.900 25488 8639 1 15 . 1 1 138 138 PHE N N 138 119.447 119.447 119.459 -0.012 25488 8640 1 15 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.429 0.025 25488 8641 1 15 . 1 1 138 138 PHE H H 138 7.861 7.861 8.478 -0.617 25488 8642 1 15 . 1 1 139 139 ALA N N 139 123.657 123.657 125.601 -1.944 25488 8643 1 15 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.861 -0.126 25488 8644 1 15 . 1 1 139 139 ALA H H 139 8.939 8.939 8.705 0.234 25488 8645 1 15 . 1 1 140 140 ARG N N 140 118.688 118.688 120.455 -1.767 25488 8646 1 15 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.596 0.478 25488 8647 1 15 . 1 1 140 140 ARG H H 140 8.563 8.563 8.716 -0.153 25488 8648 1 15 . 1 1 141 141 GLY N N 141 108.964 108.964 109.732 -0.768 25488 8649 1 15 . 1 1 141 141 GLY H H 141 9.018 9.018 9.125 -0.107 25488 8650 1 15 . 1 1 143 143 HIS N N 143 120.218 120.218 114.976 5.242 25488 8651 1 15 . 1 1 143 143 HIS H H 143 8.998 8.998 7.873 1.125 25488 8652 1 15 . 1 1 145 145 ASP N N 145 117.684 117.684 122.309 -4.625 25488 8653 1 15 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.876 -0.176 25488 8654 1 15 . 1 1 145 145 ASP H H 145 7.088 7.088 8.385 -1.297 25488 8655 1 15 . 1 1 146 146 SER HA H 146 4.140 4.140 4.263 -0.123 25488 8656 1 15 . 1 1 146 146 SER H H 146 8.220 8.220 8.435 -0.215 25488 8657 1 15 . 1 1 147 147 TYR N N 147 120.867 120.867 116.629 4.238 25488 8658 1 15 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.196 0.592 25488 8659 1 15 . 1 1 147 147 TYR H H 147 7.459 7.459 8.098 -0.639 25488 8660 1 15 . 1 1 149 149 PHE N N 149 120.630 120.630 116.962 3.668 25488 8661 1 15 . 1 1 149 149 PHE H H 149 8.018 8.018 7.768 0.250 25488 8662 1 15 . 1 1 150 150 ASP N N 150 115.626 115.626 119.004 -3.378 25488 8663 1 15 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.272 0.571 25488 8664 1 15 . 1 1 150 150 ASP H H 150 7.543 7.543 7.514 0.029 25488 8665 1 15 . 1 1 151 151 GLY N N 151 110.700 110.700 108.899 1.801 25488 8666 1 15 . 1 1 151 151 GLY H H 151 9.074 9.074 8.316 0.758 25488 8667 1 15 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.245 -0.219 25488 8668 1 15 . 1 1 153 153 GLY N N 153 118.786 118.786 115.112 3.674 25488 8669 1 15 . 1 1 153 153 GLY H H 153 11.385 11.385 9.040 2.345 25488 8670 1 15 . 1 1 154 154 ASN N N 154 120.613 120.613 119.478 1.135 25488 8671 1 15 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.253 -0.055 25488 8672 1 15 . 1 1 154 154 ASN H H 154 9.225 9.225 8.350 0.875 25488 8673 1 15 . 1 1 155 155 THR N N 155 118.700 118.700 113.762 4.938 25488 8674 1 15 . 1 1 155 155 THR HA H 155 5.542 5.542 4.183 1.359 25488 8675 1 15 . 1 1 155 155 THR H H 155 9.519 9.519 8.354 1.165 25488 8676 1 15 . 1 1 156 156 LEU N N 156 122.765 122.765 117.468 5.297 25488 8677 1 15 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.895 0.047 25488 8678 1 15 . 1 1 156 156 LEU H H 156 8.500 8.500 8.023 0.477 25488 8679 1 15 . 1 1 157 157 ALA N N 157 115.545 115.545 120.294 -4.749 25488 8680 1 15 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.719 0.288 25488 8681 1 15 . 1 1 157 157 ALA H H 157 7.545 7.545 7.308 0.237 25488 8682 1 15 . 1 1 158 158 HIS N N 158 111.868 111.868 116.429 -4.561 25488 8683 1 15 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.582 0.035 25488 8684 1 15 . 1 1 158 158 HIS H H 158 8.774 8.774 8.611 0.163 25488 8685 1 15 . 1 1 159 159 ALA N N 159 118.565 118.565 126.459 -7.894 25488 8686 1 15 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.367 0.290 25488 8687 1 15 . 1 1 159 159 ALA H H 159 6.114 6.114 7.948 -1.834 25488 8688 1 15 . 1 1 160 160 PHE N N 160 118.042 118.042 123.622 -5.580 25488 8689 1 15 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.693 -0.212 25488 8690 1 15 . 1 1 160 160 PHE H H 160 7.897 7.897 7.761 0.136 25488 8691 1 15 . 1 1 161 161 ALA N N 161 123.548 123.548 124.111 -0.563 25488 8692 1 15 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.926 -0.443 25488 8693 1 15 . 1 1 161 161 ALA H H 161 8.089 8.089 8.777 -0.688 25488 8694 1 15 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.916 -1.045 25488 8695 1 15 . 1 1 163 163 GLY N N 163 107.255 107.255 108.859 -1.604 25488 8696 1 15 . 1 1 163 163 GLY H H 163 5.992 5.992 7.521 -1.529 25488 8697 1 15 . 1 1 165 165 GLY H H 165 9.149 9.149 7.874 1.275 25488 8698 1 15 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.053 0.100 25488 8699 1 15 . 1 1 167 167 GLY N N 167 103.338 103.338 103.816 -0.478 25488 8700 1 15 . 1 1 167 167 GLY H H 167 7.774 7.774 7.407 0.367 25488 8701 1 15 . 1 1 168 168 GLY N N 168 121.031 121.031 109.471 11.560 25488 8702 1 15 . 1 1 168 168 GLY H H 168 7.685 7.685 8.548 -0.863 25488 8703 1 15 . 1 1 169 169 ASP N N 169 123.703 123.703 122.696 1.007 25488 8704 1 15 . 1 1 169 169 ASP H H 169 8.578 8.578 7.925 0.653 25488 8705 1 15 . 1 1 170 170 ALA N N 170 119.569 119.569 124.427 -4.858 25488 8706 1 15 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.923 -0.219 25488 8707 1 15 . 1 1 170 170 ALA H H 170 8.371 8.371 8.743 -0.372 25488 8708 1 15 . 1 1 171 171 HIS N N 171 120.286 120.286 123.471 -3.185 25488 8709 1 15 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.087 0.643 25488 8710 1 15 . 1 1 171 171 HIS H H 171 8.513 8.513 8.301 0.212 25488 8711 1 15 . 1 1 172 172 PHE N N 172 120.919 120.919 123.826 -2.907 25488 8712 1 15 . 1 1 172 172 PHE H H 172 8.457 8.457 9.003 -0.546 25488 8713 1 15 . 1 1 173 173 ASP N N 173 123.993 123.993 121.217 2.776 25488 8714 1 15 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.930 -1.034 25488 8715 1 15 . 1 1 173 173 ASP H H 173 7.915 7.915 8.716 -0.801 25488 8716 1 15 . 1 1 174 174 GLU N N 174 132.684 132.684 126.872 5.812 25488 8717 1 15 . 1 1 174 174 GLU H H 174 9.461 9.461 8.329 1.132 25488 8718 1 15 . 1 1 175 175 ASP N N 175 117.313 117.313 119.097 -1.784 25488 8719 1 15 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.740 0.057 25488 8720 1 15 . 1 1 175 175 ASP H H 175 8.756 8.756 8.165 0.591 25488 8721 1 15 . 1 1 176 176 GLU N N 176 116.511 116.511 118.458 -1.947 25488 8722 1 15 . 1 1 176 176 GLU H H 176 7.154 7.154 7.213 -0.059 25488 8723 1 15 . 1 1 177 177 ARG N N 177 121.920 121.920 122.501 -0.581 25488 8724 1 15 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.453 0.172 25488 8725 1 15 . 1 1 177 177 ARG H H 177 7.555 7.555 8.082 -0.527 25488 8726 1 15 . 1 1 178 178 TRP N N 178 129.182 129.182 126.427 2.755 25488 8727 1 15 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.671 -0.558 25488 8728 1 15 . 1 1 178 178 TRP H H 178 8.788 8.788 8.567 0.221 25488 8729 1 15 . 1 1 179 179 THR N N 179 112.874 112.874 113.313 -0.439 25488 8730 1 15 . 1 1 179 179 THR HA H 179 5.015 5.015 4.763 0.252 25488 8731 1 15 . 1 1 179 179 THR H H 179 8.946 8.946 8.363 0.583 25488 8732 1 15 . 1 1 180 180 ASP N N 180 121.969 121.969 122.445 -0.476 25488 8733 1 15 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.869 -0.447 25488 8734 1 15 . 1 1 180 180 ASP H H 180 8.478 8.478 8.723 -0.245 25488 8735 1 15 . 1 1 181 181 GLY N N 181 110.059 110.059 108.018 2.041 25488 8736 1 15 . 1 1 181 181 GLY H H 181 8.572 8.572 8.289 0.283 25488 8737 1 15 . 1 1 182 182 SER N N 182 115.564 115.564 116.539 -0.975 25488 8738 1 15 . 1 1 182 182 SER HA H 182 4.599 4.599 4.376 0.223 25488 8739 1 15 . 1 1 182 182 SER H H 182 8.173 8.173 8.028 0.145 25488 8740 1 15 . 1 1 183 183 SER N N 183 117.066 117.066 114.252 2.814 25488 8741 1 15 . 1 1 183 183 SER H H 183 7.819 7.819 8.510 -0.691 25488 8742 1 15 . 1 1 184 184 LEU N N 184 121.954 121.954 116.500 5.454 25488 8743 1 15 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.643 -0.281 25488 8744 1 15 . 1 1 184 184 LEU H H 184 8.104 8.104 7.841 0.263 25488 8745 1 15 . 1 1 185 185 GLY N N 185 108.989 108.989 105.921 3.068 25488 8746 1 15 . 1 1 185 185 GLY H H 185 7.954 7.954 7.446 0.508 25488 8747 1 15 . 1 1 186 186 ILE N N 186 123.084 123.084 120.589 2.495 25488 8748 1 15 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.029 -0.250 25488 8749 1 15 . 1 1 186 186 ILE H H 186 8.878 8.878 7.963 0.915 25488 8750 1 15 . 1 1 187 187 ASN N N 187 126.999 126.999 124.113 2.886 25488 8751 1 15 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.681 -0.285 25488 8752 1 15 . 1 1 187 187 ASN H H 187 8.575 8.575 8.402 0.173 25488 8753 1 15 . 1 1 188 188 PHE N N 188 129.819 129.819 128.461 1.358 25488 8754 1 15 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.370 0.221 25488 8755 1 15 . 1 1 188 188 PHE H H 188 9.365 9.365 8.788 0.577 25488 8756 1 15 . 1 1 189 189 LEU N N 189 119.292 119.292 122.207 -2.915 25488 8757 1 15 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.847 -0.014 25488 8758 1 15 . 1 1 189 189 LEU H H 189 8.551 8.551 7.943 0.608 25488 8759 1 15 . 1 1 191 191 ALA N N 191 120.347 120.347 122.694 -2.347 25488 8760 1 15 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.881 0.416 25488 8761 1 15 . 1 1 191 191 ALA H H 191 7.973 7.973 7.809 0.164 25488 8762 1 15 . 1 1 192 192 ALA N N 192 121.365 121.365 118.673 2.692 25488 8763 1 15 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.939 0.078 25488 8764 1 15 . 1 1 192 192 ALA H H 192 9.258 9.258 8.001 1.257 25488 8765 1 15 . 1 1 193 193 THR N N 193 117.027 117.027 114.168 2.859 25488 8766 1 15 . 1 1 193 193 THR HA H 193 3.825 3.825 4.111 -0.286 25488 8767 1 15 . 1 1 193 193 THR H H 193 8.209 8.209 7.722 0.487 25488 8768 1 15 . 1 1 194 194 HIS N N 194 120.231 120.231 121.525 -1.294 25488 8769 1 15 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.572 -0.339 25488 8770 1 15 . 1 1 194 194 HIS H H 194 7.805 7.805 7.663 0.142 25488 8771 1 15 . 1 1 195 195 ALA N N 195 121.346 121.346 122.002 -0.656 25488 8772 1 15 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.012 0.168 25488 8773 1 15 . 1 1 195 195 ALA H H 195 8.693 8.693 7.546 1.147 25488 8774 1 15 . 1 1 196 196 LEU N N 196 114.951 114.951 115.184 -0.233 25488 8775 1 15 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.340 -0.182 25488 8776 1 15 . 1 1 196 196 LEU H H 196 8.714 8.714 8.073 0.641 25488 8777 1 15 . 1 1 197 197 GLY N N 197 107.954 107.954 106.213 1.741 25488 8778 1 15 . 1 1 197 197 GLY H H 197 7.540 7.540 7.415 0.125 25488 8779 1 15 . 1 1 198 198 HIS N N 198 121.996 121.996 120.931 1.065 25488 8780 1 15 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.165 0.644 25488 8781 1 15 . 1 1 198 198 HIS H H 198 7.205 7.205 7.492 -0.287 25488 8782 1 15 . 1 1 199 199 SER N N 199 118.570 118.570 113.654 4.916 25488 8783 1 15 . 1 1 199 199 SER HA H 199 4.448 4.448 4.557 -0.109 25488 8784 1 15 . 1 1 199 199 SER H H 199 7.886 7.886 7.981 -0.095 25488 8785 1 15 . 1 1 200 200 LEU N N 200 114.779 114.779 117.569 -2.790 25488 8786 1 15 . 1 1 200 200 LEU H H 200 7.106 7.106 7.496 -0.390 25488 8787 1 15 . 1 1 201 201 GLY N N 201 108.350 108.350 106.183 2.167 25488 8788 1 15 . 1 1 201 201 GLY H H 201 8.213 8.213 7.776 0.437 25488 8789 1 15 . 1 1 202 202 MET N N 202 119.623 119.623 120.098 -0.475 25488 8790 1 15 . 1 1 202 202 MET HA H 202 4.484 4.484 4.375 0.109 25488 8791 1 15 . 1 1 202 202 MET H H 202 8.189 8.189 7.702 0.487 25488 8792 1 15 . 1 1 203 203 GLY N N 203 109.770 109.770 110.766 -0.996 25488 8793 1 15 . 1 1 203 203 GLY H H 203 8.413 8.413 8.336 0.077 25488 8794 1 15 . 1 1 204 204 HIS N N 204 115.793 115.793 117.465 -1.672 25488 8795 1 15 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.974 0.400 25488 8796 1 15 . 1 1 204 204 HIS H H 204 8.383 8.383 8.217 0.166 25488 8797 1 15 . 1 1 205 205 SER N N 205 115.497 115.497 114.699 0.798 25488 8798 1 15 . 1 1 205 205 SER HA H 205 4.721 4.721 4.925 -0.204 25488 8799 1 15 . 1 1 205 205 SER H H 205 7.223 7.223 8.261 -1.038 25488 8800 1 15 . 1 1 206 206 SER N N 206 119.268 119.268 121.820 -2.552 25488 8801 1 15 . 1 1 206 206 SER HA H 206 3.721 3.721 4.636 -0.915 25488 8802 1 15 . 1 1 206 206 SER H H 206 8.290 8.290 8.989 -0.699 25488 8803 1 15 . 1 1 207 207 ASP N N 207 126.656 126.656 123.875 2.781 25488 8804 1 15 . 1 1 207 207 ASP H H 207 8.541 8.541 7.812 0.729 25488 8805 1 15 . 1 1 209 209 ASN N N 209 115.911 115.911 116.843 -0.932 25488 8806 1 15 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.669 -0.053 25488 8807 1 15 . 1 1 209 209 ASN H H 209 8.374 8.374 8.053 0.321 25488 8808 1 15 . 1 1 210 210 ALA N N 210 124.929 124.929 122.924 2.005 25488 8809 1 15 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.588 -0.434 25488 8810 1 15 . 1 1 210 210 ALA H H 210 8.182 8.182 7.188 0.994 25488 8811 1 15 . 1 1 211 211 VAL N N 211 130.383 130.383 119.614 10.769 25488 8812 1 15 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.688 0.562 25488 8813 1 15 . 1 1 211 211 VAL H H 211 11.554 11.554 8.691 2.863 25488 8814 1 15 . 1 1 212 212 MET N N 212 113.319 113.319 110.544 2.775 25488 8815 1 15 . 1 1 212 212 MET H H 212 7.741 7.741 7.638 0.103 25488 8816 1 15 . 1 1 213 213 TYR N N 213 130.006 130.006 126.362 3.644 25488 8817 1 15 . 1 1 213 213 TYR H H 213 7.899 7.899 7.701 0.198 25488 8818 1 15 . 1 1 215 215 THR N N 215 104.747 104.747 108.808 -4.061 25488 8819 1 15 . 1 1 215 215 THR HA H 215 4.404 4.404 4.147 0.257 25488 8820 1 15 . 1 1 215 215 THR H H 215 6.402 6.402 7.714 -1.312 25488 8821 1 15 . 1 1 216 216 TYR N N 216 124.699 124.699 124.245 0.454 25488 8822 1 15 . 1 1 216 216 TYR H H 216 8.341 8.341 8.218 0.123 25488 8823 1 15 . 1 1 217 217 GLY N N 217 116.288 116.288 112.035 4.253 25488 8824 1 15 . 1 1 217 217 GLY H H 217 7.685 7.685 8.199 -0.514 25488 8825 1 15 . 1 1 218 218 ASN N N 218 119.920 119.920 115.684 4.236 25488 8826 1 15 . 1 1 218 218 ASN HA H 218 4.620 4.620 5.000 -0.380 25488 8827 1 15 . 1 1 218 218 ASN H H 218 8.221 8.221 8.517 -0.296 25488 8828 1 15 . 1 1 219 219 GLY N N 219 109.601 109.601 107.724 1.877 25488 8829 1 15 . 1 1 219 219 GLY H H 219 8.072 8.072 7.939 0.133 25488 8830 1 15 . 1 1 220 220 ASP N N 220 123.006 123.006 119.472 3.534 25488 8831 1 15 . 1 1 220 220 ASP H H 220 8.280 8.280 8.060 0.220 25488 8832 1 15 . 1 1 222 222 GLN N N 222 116.642 116.642 120.841 -4.199 25488 8833 1 15 . 1 1 222 222 GLN H H 222 8.215 8.215 8.668 -0.453 25488 8834 1 15 . 1 1 223 223 ASN N N 223 118.361 118.361 117.497 0.864 25488 8835 1 15 . 1 1 223 223 ASN H H 223 7.970 7.970 8.587 -0.617 25488 8836 1 15 . 1 1 225 225 LYS N N 225 122.215 122.215 126.364 -4.149 25488 8837 1 15 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.418 -0.002 25488 8838 1 15 . 1 1 225 225 LYS H H 225 7.656 7.656 7.973 -0.317 25488 8839 1 15 . 1 1 226 226 LEU N N 226 119.165 119.165 119.961 -0.796 25488 8840 1 15 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.440 -0.352 25488 8841 1 15 . 1 1 226 226 LEU H H 226 7.984 7.984 8.206 -0.222 25488 8842 1 15 . 1 1 227 227 SER N N 227 120.520 120.520 115.538 4.982 25488 8843 1 15 . 1 1 227 227 SER HA H 227 4.676 4.676 4.494 0.182 25488 8844 1 15 . 1 1 227 227 SER H H 227 9.646 9.646 8.441 1.205 25488 8845 1 15 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.176 0.498 25488 8846 1 15 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.515 -0.141 25488 8847 1 15 . 1 1 229 229 ASP H H 229 8.113 8.113 8.000 0.113 25488 8848 1 15 . 1 1 230 230 ASP N N 230 119.878 119.878 119.941 -0.063 25488 8849 1 15 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.464 -0.126 25488 8850 1 15 . 1 1 230 230 ASP H H 230 7.397 7.397 7.629 -0.232 25488 8851 1 15 . 1 1 231 231 ILE N N 231 120.389 120.389 118.445 1.944 25488 8852 1 15 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.963 -0.308 25488 8853 1 15 . 1 1 231 231 ILE H H 231 8.100 8.100 7.457 0.643 25488 8854 1 15 . 1 1 232 232 LYS N N 232 119.084 119.084 120.262 -1.178 25488 8855 1 15 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.018 0.077 25488 8856 1 15 . 1 1 232 232 LYS H H 232 8.581 8.581 7.715 0.866 25488 8857 1 15 . 1 1 233 233 GLY N N 233 106.424 106.424 105.772 0.652 25488 8858 1 15 . 1 1 233 233 GLY H H 233 8.061 8.061 8.125 -0.064 25488 8859 1 15 . 1 1 234 234 ILE N N 234 125.166 125.166 121.501 3.665 25488 8860 1 15 . 1 1 234 234 ILE H H 234 8.517 8.517 7.493 1.024 25488 8861 1 15 . 1 1 235 235 GLN N N 235 122.969 122.969 117.858 5.111 25488 8862 1 15 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.181 0.200 25488 8863 1 15 . 1 1 235 235 GLN H H 235 8.291 8.291 7.888 0.403 25488 8864 1 15 . 1 1 236 236 LYS N N 236 123.770 123.770 118.092 5.678 25488 8865 1 15 . 1 1 236 236 LYS H H 236 8.035 8.035 7.509 0.526 25488 8866 1 15 . 1 1 237 237 LEU N N 237 116.854 116.854 117.625 -0.771 25488 8867 1 15 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.024 -0.065 25488 8868 1 15 . 1 1 237 237 LEU H H 237 6.886 6.886 7.330 -0.444 25488 8869 1 15 . 1 1 238 238 TYR N N 238 112.132 112.132 114.800 -2.668 25488 8870 1 15 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.595 0.031 25488 8871 1 15 . 1 1 238 238 TYR H H 238 7.459 7.459 7.475 -0.016 25488 8872 1 15 . 1 1 239 239 GLY N N 239 110.898 110.898 107.020 3.878 25488 8873 1 15 . 1 1 239 239 GLY H H 239 8.442 8.442 7.526 0.916 25488 8874 1 15 . 1 1 240 240 LYS N N 240 114.400 114.400 118.887 -4.487 25488 8875 1 15 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.555 0.249 25488 8876 1 15 . 1 1 240 240 LYS H H 240 7.865 7.865 8.198 -0.333 25488 8877 1 15 . 1 1 241 241 ARG N N 241 123.851 123.851 120.434 3.417 25488 8878 1 15 . 1 1 241 241 ARG H H 241 7.760 7.760 8.471 -0.711 25488 8879 1 15 . 1 1 242 242 SER N N 242 135.647 135.647 113.363 22.284 25488 8880 1 15 . 1 1 242 242 SER H H 242 9.158 9.158 8.592 0.566 25488 8881 1 16 . 1 1 3 3 GLU N N 3 121.690 121.690 120.078 1.612 25488 8882 1 16 . 1 1 3 3 GLU H H 3 8.332 8.332 8.469 -0.137 25488 8883 1 16 . 1 1 4 4 ALA N N 4 124.526 124.526 123.033 1.493 25488 8884 1 16 . 1 1 4 4 ALA H H 4 8.111 8.111 8.247 -0.136 25488 8885 1 16 . 1 1 5 5 GLY N N 5 108.229 108.229 105.803 2.426 25488 8886 1 16 . 1 1 5 5 GLY H H 5 8.286 8.286 7.934 0.352 25488 8887 1 16 . 1 1 6 6 GLY N N 6 108.867 108.867 107.758 1.109 25488 8888 1 16 . 1 1 6 6 GLY H H 6 8.239 8.239 8.278 -0.039 25488 8889 1 16 . 1 1 7 7 MET N N 7 119.984 119.984 120.430 -0.446 25488 8890 1 16 . 1 1 7 7 MET H H 7 8.044 8.044 7.555 0.489 25488 8891 1 16 . 1 1 8 8 SER N N 8 118.771 118.771 115.756 3.015 25488 8892 1 16 . 1 1 8 8 SER HA H 8 4.239 4.239 4.398 -0.159 25488 8893 1 16 . 1 1 8 8 SER H H 8 8.738 8.738 8.340 0.398 25488 8894 1 16 . 1 1 9 9 GLU N N 9 122.551 122.551 119.798 2.753 25488 8895 1 16 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.227 0.025 25488 8896 1 16 . 1 1 9 9 GLU H H 9 8.919 8.919 8.916 0.003 25488 8897 1 16 . 1 1 10 10 LEU N N 10 120.638 120.638 118.358 2.280 25488 8898 1 16 . 1 1 10 10 LEU H H 10 8.017 8.017 8.353 -0.336 25488 8899 1 16 . 1 1 11 11 GLN N N 11 119.889 119.889 117.662 2.227 25488 8900 1 16 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.109 0.025 25488 8901 1 16 . 1 1 11 11 GLN H H 11 7.807 7.807 8.161 -0.354 25488 8902 1 16 . 1 1 12 12 TRP N N 12 120.951 120.951 122.978 -2.027 25488 8903 1 16 . 1 1 12 12 TRP H H 12 8.202 8.202 7.529 0.673 25488 8904 1 16 . 1 1 13 13 GLU N N 13 121.870 121.870 120.218 1.652 25488 8905 1 16 . 1 1 13 13 GLU H H 13 8.436 8.436 8.981 -0.545 25488 8906 1 16 . 1 1 14 14 GLN N N 14 120.646 120.646 117.372 3.274 25488 8907 1 16 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.113 0.056 25488 8908 1 16 . 1 1 14 14 GLN H H 14 8.159 8.159 8.346 -0.187 25488 8909 1 16 . 1 1 15 15 ALA N N 15 123.216 123.216 122.451 0.765 25488 8910 1 16 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.260 0.078 25488 8911 1 16 . 1 1 15 15 ALA H H 15 8.355 8.355 7.442 0.913 25488 8912 1 16 . 1 1 16 16 GLN N N 16 117.766 117.766 118.447 -0.681 25488 8913 1 16 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.842 -0.137 25488 8914 1 16 . 1 1 16 16 GLN H H 16 8.440 8.440 8.234 0.206 25488 8915 1 16 . 1 1 17 17 ASP N N 17 120.090 120.090 119.287 0.803 25488 8916 1 16 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.223 0.240 25488 8917 1 16 . 1 1 17 17 ASP H H 17 7.899 7.899 8.007 -0.108 25488 8918 1 16 . 1 1 18 18 TYR N N 18 122.296 122.296 118.342 3.954 25488 8919 1 16 . 1 1 18 18 TYR H H 18 8.264 8.264 7.555 0.709 25488 8920 1 16 . 1 1 19 19 LEU N N 19 117.675 117.675 114.033 3.642 25488 8921 1 16 . 1 1 19 19 LEU HA H 19 4.125 4.125 2.996 1.129 25488 8922 1 16 . 1 1 19 19 LEU H H 19 8.687 8.687 7.277 1.410 25488 8923 1 16 . 1 1 20 20 LYS N N 20 124.620 124.620 118.346 6.274 25488 8924 1 16 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.979 0.164 25488 8925 1 16 . 1 1 20 20 LYS H H 20 8.790 8.790 7.389 1.401 25488 8926 1 16 . 1 1 21 21 ARG N N 21 117.608 117.608 118.526 -0.918 25488 8927 1 16 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.316 -0.619 25488 8928 1 16 . 1 1 21 21 ARG H H 21 7.835 7.835 7.378 0.457 25488 8929 1 16 . 1 1 22 22 PHE N N 22 112.136 112.136 115.377 -3.241 25488 8930 1 16 . 1 1 22 22 PHE H H 22 8.003 8.003 7.818 0.185 25488 8931 1 16 . 1 1 23 23 TYR N N 23 116.244 116.244 115.103 1.141 25488 8932 1 16 . 1 1 23 23 TYR H H 23 7.678 7.678 7.787 -0.109 25488 8933 1 16 . 1 1 24 24 LEU N N 24 115.582 115.582 120.000 -4.418 25488 8934 1 16 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.029 0.106 25488 8935 1 16 . 1 1 24 24 LEU H H 24 7.238 7.238 7.502 -0.264 25488 8936 1 16 . 1 1 25 25 TYR N N 25 119.996 119.996 121.877 -1.881 25488 8937 1 16 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.737 -0.332 25488 8938 1 16 . 1 1 25 25 TYR H H 25 7.826 7.826 7.675 0.151 25488 8939 1 16 . 1 1 26 26 ASP N N 26 129.292 129.292 125.366 3.926 25488 8940 1 16 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.779 -0.318 25488 8941 1 16 . 1 1 26 26 ASP H H 26 8.121 8.121 7.908 0.213 25488 8942 1 16 . 1 1 28 28 GLU N N 28 122.115 122.115 119.995 2.120 25488 8943 1 16 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.380 -0.099 25488 8944 1 16 . 1 1 28 28 GLU H H 28 8.262 8.262 7.936 0.326 25488 8945 1 16 . 1 1 29 29 THR N N 29 114.171 114.171 114.872 -0.701 25488 8946 1 16 . 1 1 29 29 THR HA H 29 4.222 4.222 4.283 -0.061 25488 8947 1 16 . 1 1 29 29 THR H H 29 7.496 7.496 7.317 0.179 25488 8948 1 16 . 1 1 30 30 LYS N N 30 123.019 123.019 121.702 1.317 25488 8949 1 16 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.443 -0.225 25488 8950 1 16 . 1 1 30 30 LYS H H 30 8.154 8.154 7.519 0.635 25488 8951 1 16 . 1 1 32 32 ALA N N 32 126.481 126.481 127.762 -1.281 25488 8952 1 16 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.945 0.305 25488 8953 1 16 . 1 1 32 32 ALA H H 32 8.424 8.424 8.747 -0.323 25488 8954 1 16 . 1 1 33 33 ASN N N 33 116.834 116.834 115.647 1.187 25488 8955 1 16 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.573 0.125 25488 8956 1 16 . 1 1 33 33 ASN H H 33 8.312 8.312 8.215 0.097 25488 8957 1 16 . 1 1 34 34 SER N N 34 116.960 116.960 116.746 0.214 25488 8958 1 16 . 1 1 34 34 SER HA H 34 4.522 4.522 4.318 0.204 25488 8959 1 16 . 1 1 34 34 SER H H 34 8.112 8.112 7.731 0.381 25488 8960 1 16 . 1 1 35 35 LEU N N 35 125.335 125.335 122.946 2.389 25488 8961 1 16 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.893 -0.342 25488 8962 1 16 . 1 1 35 35 LEU H H 35 8.324 8.324 8.748 -0.424 25488 8963 1 16 . 1 1 36 36 GLU N N 36 119.302 119.302 118.523 0.779 25488 8964 1 16 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.014 -0.071 25488 8965 1 16 . 1 1 36 36 GLU H H 36 8.239 8.239 7.480 0.759 25488 8966 1 16 . 1 1 37 37 ALA N N 37 120.683 120.683 120.794 -0.111 25488 8967 1 16 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.122 -0.075 25488 8968 1 16 . 1 1 37 37 ALA H H 37 7.898 7.898 8.173 -0.275 25488 8969 1 16 . 1 1 38 38 LYS N N 38 119.470 119.470 117.572 1.898 25488 8970 1 16 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.309 0.024 25488 8971 1 16 . 1 1 38 38 LYS H H 38 8.217 8.217 7.735 0.482 25488 8972 1 16 . 1 1 39 39 LEU N N 39 122.664 122.664 122.473 0.191 25488 8973 1 16 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.146 -0.232 25488 8974 1 16 . 1 1 39 39 LEU H H 39 8.658 8.658 7.735 0.923 25488 8975 1 16 . 1 1 40 40 LYS N N 40 118.301 118.301 118.749 -0.448 25488 8976 1 16 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.021 0.652 25488 8977 1 16 . 1 1 40 40 LYS H H 40 8.221 8.221 8.170 0.051 25488 8978 1 16 . 1 1 41 41 GLU N N 41 121.462 121.462 119.277 2.185 25488 8979 1 16 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.249 -0.181 25488 8980 1 16 . 1 1 41 41 GLU H H 41 7.736 7.736 7.737 -0.001 25488 8981 1 16 . 1 1 42 42 MET N N 42 123.761 123.761 120.000 3.761 25488 8982 1 16 . 1 1 42 42 MET HA H 42 4.046 4.046 4.267 -0.221 25488 8983 1 16 . 1 1 42 42 MET H H 42 7.672 7.672 8.391 -0.719 25488 8984 1 16 . 1 1 43 43 GLN N N 43 120.035 120.035 118.941 1.094 25488 8985 1 16 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.009 -0.213 25488 8986 1 16 . 1 1 43 43 GLN H H 43 8.904 8.904 8.603 0.301 25488 8987 1 16 . 1 1 44 44 LYS N N 44 119.131 119.131 120.205 -1.074 25488 8988 1 16 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.119 -0.067 25488 8989 1 16 . 1 1 44 44 LYS H H 44 8.511 8.511 7.943 0.568 25488 8990 1 16 . 1 1 45 45 PHE N N 45 123.544 123.544 119.001 4.543 25488 8991 1 16 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.246 -0.396 25488 8992 1 16 . 1 1 45 45 PHE H H 45 8.438 8.438 7.854 0.584 25488 8993 1 16 . 1 1 46 46 PHE N N 46 112.789 112.789 116.001 -3.212 25488 8994 1 16 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.201 0.381 25488 8995 1 16 . 1 1 46 46 PHE H H 46 8.273 8.273 8.447 -0.174 25488 8996 1 16 . 1 1 47 47 GLY N N 47 110.408 110.408 106.097 4.311 25488 8997 1 16 . 1 1 47 47 GLY H H 47 7.922 7.922 7.819 0.103 25488 8998 1 16 . 1 1 48 48 LEU N N 48 121.853 121.853 122.644 -0.791 25488 8999 1 16 . 1 1 48 48 LEU H H 48 8.747 8.747 8.139 0.608 25488 9000 1 16 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.401 -0.200 25488 9001 1 16 . 1 1 50 50 ILE N N 50 127.000 127.000 121.040 5.960 25488 9002 1 16 . 1 1 50 50 ILE H H 50 8.529 8.529 7.977 0.552 25488 9003 1 16 . 1 1 51 51 THR N N 51 116.519 116.519 118.470 -1.951 25488 9004 1 16 . 1 1 51 51 THR H H 51 7.980 7.980 8.342 -0.362 25488 9005 1 16 . 1 1 52 52 GLY N N 52 112.725 112.725 114.519 -1.794 25488 9006 1 16 . 1 1 52 52 GLY H H 52 9.483 9.483 9.035 0.448 25488 9007 1 16 . 1 1 53 53 MET N N 53 116.735 116.735 120.692 -3.957 25488 9008 1 16 . 1 1 53 53 MET HA H 53 4.044 4.044 4.620 -0.576 25488 9009 1 16 . 1 1 53 53 MET H H 53 7.969 7.969 7.639 0.330 25488 9010 1 16 . 1 1 54 54 LEU N N 54 122.602 122.602 127.447 -4.845 25488 9011 1 16 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.615 -0.909 25488 9012 1 16 . 1 1 54 54 LEU H H 54 7.926 7.926 8.552 -0.626 25488 9013 1 16 . 1 1 55 55 ASN N N 55 115.755 115.755 121.120 -5.365 25488 9014 1 16 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.920 -0.180 25488 9015 1 16 . 1 1 55 55 ASN H H 55 6.555 6.555 8.369 -1.814 25488 9016 1 16 . 1 1 56 56 SER N N 56 121.450 121.450 117.705 3.745 25488 9017 1 16 . 1 1 56 56 SER HA H 56 4.662 4.662 3.943 0.719 25488 9018 1 16 . 1 1 56 56 SER H H 56 8.205 8.205 8.808 -0.603 25488 9019 1 16 . 1 1 57 57 ARG N N 57 123.219 123.219 122.587 0.632 25488 9020 1 16 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.956 0.250 25488 9021 1 16 . 1 1 57 57 ARG H H 57 7.883 7.883 8.206 -0.323 25488 9022 1 16 . 1 1 58 58 VAL N N 58 118.843 118.843 118.675 0.168 25488 9023 1 16 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.543 -0.243 25488 9024 1 16 . 1 1 58 58 VAL H H 58 7.594 7.594 7.694 -0.100 25488 9025 1 16 . 1 1 59 59 ILE N N 59 119.212 119.212 118.230 0.982 25488 9026 1 16 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.641 -0.172 25488 9027 1 16 . 1 1 59 59 ILE H H 59 7.326 7.326 7.122 0.204 25488 9028 1 16 . 1 1 60 60 GLU N N 60 119.544 119.544 121.121 -1.577 25488 9029 1 16 . 1 1 60 60 GLU H H 60 7.880 7.880 7.618 0.262 25488 9030 1 16 . 1 1 61 61 ILE N N 61 118.812 118.812 113.117 5.695 25488 9031 1 16 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.654 -0.212 25488 9032 1 16 . 1 1 61 61 ILE H H 61 7.217 7.217 7.623 -0.406 25488 9033 1 16 . 1 1 62 62 MET N N 62 120.202 120.202 119.340 0.862 25488 9034 1 16 . 1 1 62 62 MET HA H 62 3.419 3.419 4.198 -0.779 25488 9035 1 16 . 1 1 62 62 MET H H 62 7.820 7.820 7.324 0.496 25488 9036 1 16 . 1 1 63 63 GLN N N 63 116.274 116.274 116.119 0.155 25488 9037 1 16 . 1 1 63 63 GLN HA H 63 4.241 4.241 3.723 0.518 25488 9038 1 16 . 1 1 63 63 GLN H H 63 7.442 7.442 7.551 -0.109 25488 9039 1 16 . 1 1 64 64 LYS N N 64 121.450 121.450 121.959 -0.509 25488 9040 1 16 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.252 0.247 25488 9041 1 16 . 1 1 64 64 LYS H H 64 7.474 7.474 7.596 -0.122 25488 9042 1 16 . 1 1 66 66 ARG N N 66 113.173 113.173 121.830 -8.657 25488 9043 1 16 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.397 0.042 25488 9044 1 16 . 1 1 66 66 ARG H H 66 8.151 8.151 8.455 -0.304 25488 9045 1 16 . 1 1 67 67 CYS N N 67 121.794 121.794 119.010 2.784 25488 9046 1 16 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.370 0.050 25488 9047 1 16 . 1 1 67 67 CYS H H 67 7.709 7.709 8.550 -0.841 25488 9048 1 16 . 1 1 68 68 GLY N N 68 116.255 116.255 115.089 1.166 25488 9049 1 16 . 1 1 68 68 GLY H H 68 9.707 9.707 8.578 1.129 25488 9050 1 16 . 1 1 69 69 VAL N N 69 126.541 126.541 114.283 12.258 25488 9051 1 16 . 1 1 69 69 VAL HA H 69 3.807 3.807 3.941 -0.134 25488 9052 1 16 . 1 1 69 69 VAL H H 69 9.118 9.118 6.782 2.336 25488 9053 1 16 . 1 1 71 71 ASP N N 71 119.114 119.114 125.966 -6.852 25488 9054 1 16 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.376 0.107 25488 9055 1 16 . 1 1 71 71 ASP H H 71 8.067 8.067 8.218 -0.151 25488 9056 1 16 . 1 1 72 72 VAL N N 72 112.988 112.988 116.420 -3.432 25488 9057 1 16 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.179 0.102 25488 9058 1 16 . 1 1 72 72 VAL H H 72 6.438 6.438 7.083 -0.645 25488 9059 1 16 . 1 1 73 73 ALA N N 73 125.902 125.902 126.855 -0.953 25488 9060 1 16 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.265 0.002 25488 9061 1 16 . 1 1 73 73 ALA H H 73 8.171 8.171 8.521 -0.350 25488 9062 1 16 . 1 1 74 74 GLU N N 74 120.835 120.835 124.065 -3.230 25488 9063 1 16 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.533 -0.450 25488 9064 1 16 . 1 1 74 74 GLU H H 74 8.385 8.385 7.890 0.495 25488 9065 1 16 . 1 1 75 75 TYR N N 75 121.820 121.820 119.471 2.349 25488 9066 1 16 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.466 -0.072 25488 9067 1 16 . 1 1 75 75 TYR H H 75 8.102 8.102 8.774 -0.672 25488 9068 1 16 . 1 1 76 76 SER N N 76 117.881 117.881 114.356 3.525 25488 9069 1 16 . 1 1 76 76 SER H H 76 7.718 7.718 8.493 -0.775 25488 9070 1 16 . 1 1 77 77 LEU N N 77 123.835 123.835 121.828 2.007 25488 9071 1 16 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.648 -0.556 25488 9072 1 16 . 1 1 77 77 LEU H H 77 8.033 8.033 7.634 0.399 25488 9073 1 16 . 1 1 78 78 PHE N N 78 118.893 118.893 122.838 -3.945 25488 9074 1 16 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.954 -0.109 25488 9075 1 16 . 1 1 78 78 PHE H H 78 7.822 7.822 8.311 -0.489 25488 9076 1 16 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.304 0.027 25488 9077 1 16 . 1 1 80 80 ASN N N 80 118.184 118.184 120.983 -2.799 25488 9078 1 16 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.759 -0.079 25488 9079 1 16 . 1 1 80 80 ASN H H 80 8.106 8.106 8.220 -0.114 25488 9080 1 16 . 1 1 81 81 SER HA H 81 4.636 4.636 4.411 0.225 25488 9081 1 16 . 1 1 83 83 LYS N N 83 114.696 114.696 121.615 -6.919 25488 9082 1 16 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.680 -0.457 25488 9083 1 16 . 1 1 83 83 LYS H H 83 7.361 7.361 7.968 -0.607 25488 9084 1 16 . 1 1 84 84 TRP N N 84 122.459 122.459 124.569 -2.110 25488 9085 1 16 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.724 -0.721 25488 9086 1 16 . 1 1 84 84 TRP H H 84 8.020 8.020 9.154 -1.134 25488 9087 1 16 . 1 1 85 85 THR N N 85 113.482 113.482 116.009 -2.527 25488 9088 1 16 . 1 1 85 85 THR HA H 85 4.586 4.586 4.416 0.170 25488 9089 1 16 . 1 1 85 85 THR H H 85 8.833 8.833 8.834 -0.001 25488 9090 1 16 . 1 1 86 86 SER N N 86 117.316 117.316 115.961 1.355 25488 9091 1 16 . 1 1 86 86 SER HA H 86 4.665 4.665 4.613 0.052 25488 9092 1 16 . 1 1 86 86 SER H H 86 7.724 7.724 7.750 -0.026 25488 9093 1 16 . 1 1 87 87 LYS N N 87 120.411 120.411 124.105 -3.694 25488 9094 1 16 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.260 -0.121 25488 9095 1 16 . 1 1 87 87 LYS H H 87 8.312 8.312 8.775 -0.463 25488 9096 1 16 . 1 1 88 88 VAL N N 88 117.674 117.674 118.032 -0.358 25488 9097 1 16 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.599 0.052 25488 9098 1 16 . 1 1 88 88 VAL H H 88 7.425 7.425 7.481 -0.056 25488 9099 1 16 . 1 1 89 89 VAL N N 89 131.493 131.493 124.574 6.919 25488 9100 1 16 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.356 -0.215 25488 9101 1 16 . 1 1 89 89 VAL H H 89 8.574 8.574 8.755 -0.181 25488 9102 1 16 . 1 1 90 90 THR N N 90 118.245 118.245 118.141 0.104 25488 9103 1 16 . 1 1 90 90 THR HA H 90 5.627 5.627 5.390 0.237 25488 9104 1 16 . 1 1 90 90 THR H H 90 9.021 9.021 9.393 -0.372 25488 9105 1 16 . 1 1 91 91 TYR N N 91 118.267 118.267 119.584 -1.317 25488 9106 1 16 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.717 -0.043 25488 9107 1 16 . 1 1 91 91 TYR H H 91 8.555 8.555 9.205 -0.650 25488 9108 1 16 . 1 1 92 92 ARG N N 92 120.260 120.260 123.477 -3.217 25488 9109 1 16 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.904 -0.258 25488 9110 1 16 . 1 1 92 92 ARG H H 92 8.513 8.513 8.789 -0.276 25488 9111 1 16 . 1 1 93 93 ILE N N 93 128.361 128.361 126.930 1.431 25488 9112 1 16 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.598 0.021 25488 9113 1 16 . 1 1 93 93 ILE H H 93 8.878 8.878 9.087 -0.209 25488 9114 1 16 . 1 1 94 94 VAL N N 94 126.374 126.374 123.127 3.247 25488 9115 1 16 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.485 -0.485 25488 9116 1 16 . 1 1 94 94 VAL H H 94 9.492 9.492 8.848 0.644 25488 9117 1 16 . 1 1 95 95 SER N N 95 113.303 113.303 116.347 -3.044 25488 9118 1 16 . 1 1 95 95 SER HA H 95 4.705 4.705 4.688 0.017 25488 9119 1 16 . 1 1 95 95 SER H H 95 7.431 7.431 7.806 -0.375 25488 9120 1 16 . 1 1 96 96 TYR N N 96 117.054 117.054 119.287 -2.233 25488 9121 1 16 . 1 1 96 96 TYR H H 96 8.255 8.255 7.973 0.282 25488 9122 1 16 . 1 1 98 98 ARG N N 98 128.445 128.445 125.007 3.438 25488 9123 1 16 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.287 0.051 25488 9124 1 16 . 1 1 98 98 ARG H H 98 8.964 8.964 8.748 0.216 25488 9125 1 16 . 1 1 99 99 ASP N N 99 120.412 120.412 118.771 1.641 25488 9126 1 16 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.609 -0.274 25488 9127 1 16 . 1 1 99 99 ASP H H 99 8.695 8.695 8.426 0.269 25488 9128 1 16 . 1 1 100 100 LEU N N 100 116.851 116.851 113.692 3.159 25488 9129 1 16 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.890 0.043 25488 9130 1 16 . 1 1 100 100 LEU H H 100 6.902 6.902 7.317 -0.415 25488 9131 1 16 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.807 0.360 25488 9132 1 16 . 1 1 103 103 ILE N N 103 115.469 115.469 114.835 0.634 25488 9133 1 16 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.564 0.609 25488 9134 1 16 . 1 1 103 103 ILE H H 103 8.296 8.296 7.970 0.326 25488 9135 1 16 . 1 1 104 104 THR N N 104 119.413 119.413 116.552 2.861 25488 9136 1 16 . 1 1 104 104 THR HA H 104 4.019 4.019 4.027 -0.008 25488 9137 1 16 . 1 1 104 104 THR H H 104 6.915 6.915 7.553 -0.638 25488 9138 1 16 . 1 1 105 105 VAL N N 105 123.232 123.232 122.029 1.203 25488 9139 1 16 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.407 0.007 25488 9140 1 16 . 1 1 105 105 VAL H H 105 7.379 7.379 6.912 0.467 25488 9141 1 16 . 1 1 106 106 ASP N N 106 120.160 120.160 119.232 0.928 25488 9142 1 16 . 1 1 106 106 ASP H H 106 8.615 8.615 8.214 0.401 25488 9143 1 16 . 1 1 107 107 ARG N N 107 121.041 121.041 118.580 2.461 25488 9144 1 16 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.063 0.027 25488 9145 1 16 . 1 1 107 107 ARG H H 107 8.372 8.372 8.210 0.162 25488 9146 1 16 . 1 1 108 108 LEU N N 108 121.644 121.644 119.667 1.977 25488 9147 1 16 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.090 0.163 25488 9148 1 16 . 1 1 108 108 LEU H H 108 8.768 8.768 7.750 1.018 25488 9149 1 16 . 1 1 109 109 VAL N N 109 120.347 120.347 114.786 5.561 25488 9150 1 16 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.647 -0.276 25488 9151 1 16 . 1 1 109 109 VAL H H 109 8.762 8.762 7.979 0.783 25488 9152 1 16 . 1 1 110 110 SER N N 110 112.949 112.949 117.325 -4.376 25488 9153 1 16 . 1 1 110 110 SER HA H 110 4.270 4.270 4.277 -0.007 25488 9154 1 16 . 1 1 110 110 SER H H 110 7.605 7.605 7.710 -0.105 25488 9155 1 16 . 1 1 111 111 LYS N N 111 122.434 122.434 122.040 0.394 25488 9156 1 16 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.201 -0.159 25488 9157 1 16 . 1 1 111 111 LYS H H 111 8.146 8.146 7.716 0.430 25488 9158 1 16 . 1 1 112 112 ALA N N 112 124.099 124.099 122.390 1.709 25488 9159 1 16 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.201 -0.124 25488 9160 1 16 . 1 1 112 112 ALA H H 112 8.270 8.270 8.013 0.257 25488 9161 1 16 . 1 1 113 113 LEU N N 113 116.251 116.251 117.504 -1.253 25488 9162 1 16 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.648 0.074 25488 9163 1 16 . 1 1 113 113 LEU H H 113 8.019 8.019 7.729 0.290 25488 9164 1 16 . 1 1 114 114 ASN N N 114 116.659 116.659 116.994 -0.335 25488 9165 1 16 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.369 0.160 25488 9166 1 16 . 1 1 114 114 ASN H H 114 8.197 8.197 7.631 0.566 25488 9167 1 16 . 1 1 115 115 MET N N 115 122.118 122.118 120.133 1.985 25488 9168 1 16 . 1 1 115 115 MET HA H 115 4.013 4.013 4.002 0.011 25488 9169 1 16 . 1 1 115 115 MET H H 115 7.918 7.918 7.315 0.603 25488 9170 1 16 . 1 1 116 116 TRP N N 116 117.117 117.117 117.275 -0.158 25488 9171 1 16 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.513 -0.003 25488 9172 1 16 . 1 1 116 116 TRP H H 116 6.773 6.773 7.492 -0.719 25488 9173 1 16 . 1 1 117 117 GLY N N 117 104.656 104.656 105.915 -1.259 25488 9174 1 16 . 1 1 117 117 GLY H H 117 9.305 9.305 8.110 1.195 25488 9175 1 16 . 1 1 118 118 LYS N N 118 118.567 118.567 119.911 -1.344 25488 9176 1 16 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.375 -0.198 25488 9177 1 16 . 1 1 118 118 LYS H H 118 7.947 7.947 7.531 0.416 25488 9178 1 16 . 1 1 119 119 GLU N N 119 113.899 113.899 118.529 -4.630 25488 9179 1 16 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.273 0.535 25488 9180 1 16 . 1 1 119 119 GLU H H 119 7.773 7.773 7.728 0.045 25488 9181 1 16 . 1 1 120 120 ILE N N 120 111.215 111.215 118.653 -7.438 25488 9182 1 16 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.822 0.499 25488 9183 1 16 . 1 1 120 120 ILE H H 120 7.528 7.528 7.666 -0.138 25488 9184 1 16 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.435 0.186 25488 9185 1 16 . 1 1 122 122 LEU N N 122 121.481 121.481 120.506 0.975 25488 9186 1 16 . 1 1 122 122 LEU HA H 122 4.292 4.292 3.977 0.315 25488 9187 1 16 . 1 1 122 122 LEU H H 122 6.815 6.815 7.567 -0.752 25488 9188 1 16 . 1 1 123 123 HIS N N 123 120.769 120.769 118.849 1.920 25488 9189 1 16 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.792 -0.200 25488 9190 1 16 . 1 1 123 123 HIS H H 123 7.709 7.709 7.870 -0.161 25488 9191 1 16 . 1 1 124 124 PHE N N 124 120.530 120.530 123.527 -2.997 25488 9192 1 16 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.221 0.591 25488 9193 1 16 . 1 1 124 124 PHE H H 124 8.306 8.306 9.057 -0.751 25488 9194 1 16 . 1 1 125 125 ARG N N 125 123.891 123.891 124.153 -0.262 25488 9195 1 16 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.650 0.003 25488 9196 1 16 . 1 1 125 125 ARG H H 125 8.408 8.408 8.961 -0.553 25488 9197 1 16 . 1 1 126 126 LYS N N 126 130.178 130.178 126.058 4.120 25488 9198 1 16 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.491 -0.130 25488 9199 1 16 . 1 1 126 126 LYS H H 126 8.468 8.468 8.527 -0.059 25488 9200 1 16 . 1 1 127 127 VAL N N 127 125.180 125.180 126.999 -1.819 25488 9201 1 16 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.102 0.406 25488 9202 1 16 . 1 1 127 127 VAL H H 127 8.679 8.679 8.215 0.464 25488 9203 1 16 . 1 1 128 128 VAL N N 128 117.584 117.584 115.877 1.707 25488 9204 1 16 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.430 -0.144 25488 9205 1 16 . 1 1 128 128 VAL H H 128 8.469 8.469 8.133 0.336 25488 9206 1 16 . 1 1 129 129 TRP N N 129 119.805 119.805 117.862 1.943 25488 9207 1 16 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.812 -0.126 25488 9208 1 16 . 1 1 129 129 TRP H H 129 7.447 7.447 7.025 0.422 25488 9209 1 16 . 1 1 130 130 GLY N N 130 109.844 109.844 110.948 -1.104 25488 9210 1 16 . 1 1 130 130 GLY H H 130 8.072 8.072 8.694 -0.622 25488 9211 1 16 . 1 1 131 131 THR N N 131 116.125 116.125 114.411 1.714 25488 9212 1 16 . 1 1 131 131 THR HA H 131 4.123 4.123 4.565 -0.442 25488 9213 1 16 . 1 1 131 131 THR H H 131 8.196 8.196 8.196 0.000 25488 9214 1 16 . 1 1 132 132 ALA N N 132 129.613 129.613 128.627 0.986 25488 9215 1 16 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.515 -0.004 25488 9216 1 16 . 1 1 132 132 ALA H H 132 7.919 7.919 8.305 -0.386 25488 9217 1 16 . 1 1 133 133 ASP N N 133 123.004 123.004 121.591 1.413 25488 9218 1 16 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.614 -0.172 25488 9219 1 16 . 1 1 133 133 ASP H H 133 8.248 8.248 8.390 -0.142 25488 9220 1 16 . 1 1 134 134 ILE N N 134 125.478 125.478 120.766 4.712 25488 9221 1 16 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.406 -0.313 25488 9222 1 16 . 1 1 134 134 ILE H H 134 8.804 8.804 8.305 0.499 25488 9223 1 16 . 1 1 135 135 MET N N 135 127.471 127.471 128.225 -0.754 25488 9224 1 16 . 1 1 135 135 MET HA H 135 5.194 5.194 4.932 0.262 25488 9225 1 16 . 1 1 135 135 MET H H 135 7.437 7.437 9.220 -1.783 25488 9226 1 16 . 1 1 136 136 ILE N N 136 125.040 125.040 126.757 -1.717 25488 9227 1 16 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.207 0.370 25488 9228 1 16 . 1 1 136 136 ILE H H 136 9.085 9.085 8.920 0.165 25488 9229 1 16 . 1 1 137 137 GLY N N 137 112.059 112.059 113.498 -1.439 25488 9230 1 16 . 1 1 137 137 GLY H H 137 8.568 8.568 8.216 0.352 25488 9231 1 16 . 1 1 138 138 PHE N N 138 119.447 119.447 120.490 -1.043 25488 9232 1 16 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.674 -0.220 25488 9233 1 16 . 1 1 138 138 PHE H H 138 7.861 7.861 8.173 -0.312 25488 9234 1 16 . 1 1 139 139 ALA N N 139 123.657 123.657 127.096 -3.439 25488 9235 1 16 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.778 -0.043 25488 9236 1 16 . 1 1 139 139 ALA H H 139 8.939 8.939 8.805 0.134 25488 9237 1 16 . 1 1 140 140 ARG N N 140 118.688 118.688 120.337 -1.649 25488 9238 1 16 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.729 0.345 25488 9239 1 16 . 1 1 140 140 ARG H H 140 8.563 8.563 8.665 -0.102 25488 9240 1 16 . 1 1 141 141 GLY N N 141 108.964 108.964 114.314 -5.350 25488 9241 1 16 . 1 1 141 141 GLY H H 141 9.018 9.018 9.149 -0.131 25488 9242 1 16 . 1 1 143 143 HIS N N 143 120.218 120.218 115.068 5.150 25488 9243 1 16 . 1 1 143 143 HIS H H 143 8.998 8.998 7.467 1.531 25488 9244 1 16 . 1 1 145 145 ASP N N 145 117.684 117.684 121.180 -3.496 25488 9245 1 16 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.865 -0.165 25488 9246 1 16 . 1 1 145 145 ASP H H 145 7.088 7.088 7.953 -0.865 25488 9247 1 16 . 1 1 146 146 SER HA H 146 4.140 4.140 4.500 -0.360 25488 9248 1 16 . 1 1 146 146 SER H H 146 8.220 8.220 8.444 -0.224 25488 9249 1 16 . 1 1 147 147 TYR N N 147 120.867 120.867 116.493 4.374 25488 9250 1 16 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.173 0.615 25488 9251 1 16 . 1 1 147 147 TYR H H 147 7.459 7.459 7.941 -0.482 25488 9252 1 16 . 1 1 149 149 PHE N N 149 120.630 120.630 121.634 -1.004 25488 9253 1 16 . 1 1 149 149 PHE H H 149 8.018 8.018 8.243 -0.225 25488 9254 1 16 . 1 1 150 150 ASP N N 150 115.626 115.626 117.866 -2.240 25488 9255 1 16 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.334 0.509 25488 9256 1 16 . 1 1 150 150 ASP H H 150 7.543 7.543 7.584 -0.041 25488 9257 1 16 . 1 1 151 151 GLY N N 151 110.700 110.700 109.644 1.056 25488 9258 1 16 . 1 1 151 151 GLY H H 151 9.074 9.074 8.358 0.716 25488 9259 1 16 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.366 -0.340 25488 9260 1 16 . 1 1 153 153 GLY N N 153 118.786 118.786 113.233 5.553 25488 9261 1 16 . 1 1 153 153 GLY H H 153 11.385 11.385 8.754 2.631 25488 9262 1 16 . 1 1 154 154 ASN N N 154 120.613 120.613 118.614 1.999 25488 9263 1 16 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.352 -0.154 25488 9264 1 16 . 1 1 154 154 ASN H H 154 9.225 9.225 8.502 0.723 25488 9265 1 16 . 1 1 155 155 THR N N 155 118.700 118.700 112.026 6.674 25488 9266 1 16 . 1 1 155 155 THR HA H 155 5.542 5.542 4.116 1.426 25488 9267 1 16 . 1 1 155 155 THR H H 155 9.519 9.519 8.444 1.075 25488 9268 1 16 . 1 1 156 156 LEU N N 156 122.765 122.765 116.410 6.355 25488 9269 1 16 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.792 0.150 25488 9270 1 16 . 1 1 156 156 LEU H H 156 8.500 8.500 8.109 0.391 25488 9271 1 16 . 1 1 157 157 ALA N N 157 115.545 115.545 121.350 -5.805 25488 9272 1 16 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.701 0.306 25488 9273 1 16 . 1 1 157 157 ALA H H 157 7.545 7.545 7.441 0.104 25488 9274 1 16 . 1 1 158 158 HIS N N 158 111.868 111.868 119.410 -7.542 25488 9275 1 16 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.605 0.012 25488 9276 1 16 . 1 1 158 158 HIS H H 158 8.774 8.774 7.894 0.880 25488 9277 1 16 . 1 1 159 159 ALA N N 159 118.565 118.565 125.793 -7.228 25488 9278 1 16 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.231 0.426 25488 9279 1 16 . 1 1 159 159 ALA H H 159 6.114 6.114 7.749 -1.635 25488 9280 1 16 . 1 1 160 160 PHE N N 160 118.042 118.042 122.321 -4.279 25488 9281 1 16 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.610 -0.129 25488 9282 1 16 . 1 1 160 160 PHE H H 160 7.897 7.897 8.590 -0.693 25488 9283 1 16 . 1 1 161 161 ALA N N 161 123.548 123.548 123.443 0.105 25488 9284 1 16 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.835 -0.352 25488 9285 1 16 . 1 1 161 161 ALA H H 161 8.089 8.089 8.646 -0.557 25488 9286 1 16 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.742 -0.871 25488 9287 1 16 . 1 1 163 163 GLY N N 163 107.255 107.255 107.293 -0.038 25488 9288 1 16 . 1 1 163 163 GLY H H 163 5.992 5.992 7.284 -1.292 25488 9289 1 16 . 1 1 165 165 GLY H H 165 9.149 9.149 8.011 1.138 25488 9290 1 16 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.317 -0.164 25488 9291 1 16 . 1 1 167 167 GLY N N 167 103.338 103.338 103.927 -0.589 25488 9292 1 16 . 1 1 167 167 GLY H H 167 7.774 7.774 7.439 0.335 25488 9293 1 16 . 1 1 168 168 GLY N N 168 121.031 121.031 106.640 14.391 25488 9294 1 16 . 1 1 168 168 GLY H H 168 7.685 7.685 8.223 -0.538 25488 9295 1 16 . 1 1 169 169 ASP N N 169 123.703 123.703 121.712 1.991 25488 9296 1 16 . 1 1 169 169 ASP H H 169 8.578 8.578 7.728 0.850 25488 9297 1 16 . 1 1 170 170 ALA N N 170 119.569 119.569 119.959 -0.390 25488 9298 1 16 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.534 0.170 25488 9299 1 16 . 1 1 170 170 ALA H H 170 8.371 8.371 8.914 -0.543 25488 9300 1 16 . 1 1 171 171 HIS N N 171 120.286 120.286 122.463 -2.177 25488 9301 1 16 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.031 0.699 25488 9302 1 16 . 1 1 171 171 HIS H H 171 8.513 8.513 7.923 0.590 25488 9303 1 16 . 1 1 172 172 PHE N N 172 120.919 120.919 125.190 -4.271 25488 9304 1 16 . 1 1 172 172 PHE H H 172 8.457 8.457 9.273 -0.816 25488 9305 1 16 . 1 1 173 173 ASP N N 173 123.993 123.993 122.003 1.990 25488 9306 1 16 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.039 -1.143 25488 9307 1 16 . 1 1 173 173 ASP H H 173 7.915 7.915 8.521 -0.606 25488 9308 1 16 . 1 1 174 174 GLU N N 174 132.684 132.684 128.305 4.379 25488 9309 1 16 . 1 1 174 174 GLU H H 174 9.461 9.461 8.936 0.525 25488 9310 1 16 . 1 1 175 175 ASP N N 175 117.313 117.313 120.481 -3.168 25488 9311 1 16 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.659 0.138 25488 9312 1 16 . 1 1 175 175 ASP H H 175 8.756 8.756 8.604 0.152 25488 9313 1 16 . 1 1 176 176 GLU N N 176 116.511 116.511 119.220 -2.709 25488 9314 1 16 . 1 1 176 176 GLU H H 176 7.154 7.154 8.106 -0.952 25488 9315 1 16 . 1 1 177 177 ARG N N 177 121.920 121.920 124.908 -2.988 25488 9316 1 16 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.472 0.153 25488 9317 1 16 . 1 1 177 177 ARG H H 177 7.555 7.555 8.406 -0.851 25488 9318 1 16 . 1 1 178 178 TRP N N 178 129.182 129.182 125.615 3.567 25488 9319 1 16 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.329 -0.216 25488 9320 1 16 . 1 1 178 178 TRP H H 178 8.788 8.788 8.596 0.192 25488 9321 1 16 . 1 1 179 179 THR N N 179 112.874 112.874 115.195 -2.321 25488 9322 1 16 . 1 1 179 179 THR HA H 179 5.015 5.015 4.715 0.300 25488 9323 1 16 . 1 1 179 179 THR H H 179 8.946 8.946 9.066 -0.120 25488 9324 1 16 . 1 1 180 180 ASP N N 180 121.969 121.969 122.974 -1.005 25488 9325 1 16 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.839 -0.417 25488 9326 1 16 . 1 1 180 180 ASP H H 180 8.478 8.478 8.517 -0.039 25488 9327 1 16 . 1 1 181 181 GLY N N 181 110.059 110.059 107.955 2.104 25488 9328 1 16 . 1 1 181 181 GLY H H 181 8.572 8.572 8.200 0.372 25488 9329 1 16 . 1 1 182 182 SER N N 182 115.564 115.564 116.111 -0.547 25488 9330 1 16 . 1 1 182 182 SER HA H 182 4.599 4.599 4.455 0.144 25488 9331 1 16 . 1 1 182 182 SER H H 182 8.173 8.173 8.377 -0.204 25488 9332 1 16 . 1 1 183 183 SER N N 183 117.066 117.066 112.962 4.104 25488 9333 1 16 . 1 1 183 183 SER H H 183 7.819 7.819 8.053 -0.234 25488 9334 1 16 . 1 1 184 184 LEU N N 184 121.954 121.954 118.816 3.138 25488 9335 1 16 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.341 0.021 25488 9336 1 16 . 1 1 184 184 LEU H H 184 8.104 8.104 7.751 0.353 25488 9337 1 16 . 1 1 185 185 GLY N N 185 108.989 108.989 105.781 3.208 25488 9338 1 16 . 1 1 185 185 GLY H H 185 7.954 7.954 7.503 0.451 25488 9339 1 16 . 1 1 186 186 ILE N N 186 123.084 123.084 121.078 2.006 25488 9340 1 16 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.328 -0.549 25488 9341 1 16 . 1 1 186 186 ILE H H 186 8.878 8.878 8.310 0.568 25488 9342 1 16 . 1 1 187 187 ASN N N 187 126.999 126.999 125.367 1.632 25488 9343 1 16 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.990 -0.594 25488 9344 1 16 . 1 1 187 187 ASN H H 187 8.575 8.575 8.665 -0.090 25488 9345 1 16 . 1 1 188 188 PHE N N 188 129.819 129.819 128.604 1.215 25488 9346 1 16 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.252 0.339 25488 9347 1 16 . 1 1 188 188 PHE H H 188 9.365 9.365 8.803 0.562 25488 9348 1 16 . 1 1 189 189 LEU N N 189 119.292 119.292 120.793 -1.501 25488 9349 1 16 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.713 0.120 25488 9350 1 16 . 1 1 189 189 LEU H H 189 8.551 8.551 7.748 0.803 25488 9351 1 16 . 1 1 191 191 ALA N N 191 120.347 120.347 120.234 0.113 25488 9352 1 16 . 1 1 191 191 ALA HA H 191 4.297 4.297 3.806 0.491 25488 9353 1 16 . 1 1 191 191 ALA H H 191 7.973 7.973 7.789 0.184 25488 9354 1 16 . 1 1 192 192 ALA N N 192 121.365 121.365 120.874 0.491 25488 9355 1 16 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.146 -0.129 25488 9356 1 16 . 1 1 192 192 ALA H H 192 9.258 9.258 8.104 1.154 25488 9357 1 16 . 1 1 193 193 THR N N 193 117.027 117.027 114.742 2.285 25488 9358 1 16 . 1 1 193 193 THR HA H 193 3.825 3.825 3.961 -0.136 25488 9359 1 16 . 1 1 193 193 THR H H 193 8.209 8.209 8.408 -0.199 25488 9360 1 16 . 1 1 194 194 HIS N N 194 120.231 120.231 120.214 0.017 25488 9361 1 16 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.418 -0.185 25488 9362 1 16 . 1 1 194 194 HIS H H 194 7.805 7.805 7.694 0.111 25488 9363 1 16 . 1 1 195 195 ALA N N 195 121.346 121.346 122.216 -0.870 25488 9364 1 16 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.783 0.397 25488 9365 1 16 . 1 1 195 195 ALA H H 195 8.693 8.693 7.505 1.188 25488 9366 1 16 . 1 1 196 196 LEU N N 196 114.951 114.951 114.813 0.138 25488 9367 1 16 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.286 -0.128 25488 9368 1 16 . 1 1 196 196 LEU H H 196 8.714 8.714 8.399 0.315 25488 9369 1 16 . 1 1 197 197 GLY N N 197 107.954 107.954 105.219 2.735 25488 9370 1 16 . 1 1 197 197 GLY H H 197 7.540 7.540 7.176 0.364 25488 9371 1 16 . 1 1 198 198 HIS N N 198 121.996 121.996 121.278 0.718 25488 9372 1 16 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.180 0.629 25488 9373 1 16 . 1 1 198 198 HIS H H 198 7.205 7.205 7.606 -0.401 25488 9374 1 16 . 1 1 199 199 SER N N 199 118.570 118.570 113.452 5.118 25488 9375 1 16 . 1 1 199 199 SER HA H 199 4.448 4.448 4.663 -0.215 25488 9376 1 16 . 1 1 199 199 SER H H 199 7.886 7.886 8.076 -0.190 25488 9377 1 16 . 1 1 200 200 LEU N N 200 114.779 114.779 118.207 -3.428 25488 9378 1 16 . 1 1 200 200 LEU H H 200 7.106 7.106 7.447 -0.341 25488 9379 1 16 . 1 1 201 201 GLY N N 201 108.350 108.350 104.864 3.486 25488 9380 1 16 . 1 1 201 201 GLY H H 201 8.213 8.213 7.716 0.497 25488 9381 1 16 . 1 1 202 202 MET N N 202 119.623 119.623 120.270 -0.647 25488 9382 1 16 . 1 1 202 202 MET HA H 202 4.484 4.484 4.779 -0.295 25488 9383 1 16 . 1 1 202 202 MET H H 202 8.189 8.189 8.024 0.165 25488 9384 1 16 . 1 1 203 203 GLY N N 203 109.770 109.770 109.257 0.513 25488 9385 1 16 . 1 1 203 203 GLY H H 203 8.413 8.413 8.413 0.000 25488 9386 1 16 . 1 1 204 204 HIS N N 204 115.793 115.793 118.252 -2.459 25488 9387 1 16 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.743 0.631 25488 9388 1 16 . 1 1 204 204 HIS H H 204 8.383 8.383 8.291 0.092 25488 9389 1 16 . 1 1 205 205 SER N N 205 115.497 115.497 116.852 -1.355 25488 9390 1 16 . 1 1 205 205 SER HA H 205 4.721 4.721 4.854 -0.133 25488 9391 1 16 . 1 1 205 205 SER H H 205 7.223 7.223 8.558 -1.335 25488 9392 1 16 . 1 1 206 206 SER N N 206 119.268 119.268 115.851 3.417 25488 9393 1 16 . 1 1 206 206 SER HA H 206 3.721 3.721 3.921 -0.200 25488 9394 1 16 . 1 1 206 206 SER H H 206 8.290 8.290 8.291 -0.001 25488 9395 1 16 . 1 1 207 207 ASP N N 207 126.656 126.656 121.902 4.754 25488 9396 1 16 . 1 1 207 207 ASP H H 207 8.541 8.541 7.528 1.013 25488 9397 1 16 . 1 1 209 209 ASN N N 209 115.911 115.911 113.766 2.145 25488 9398 1 16 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.601 0.015 25488 9399 1 16 . 1 1 209 209 ASN H H 209 8.374 8.374 7.984 0.390 25488 9400 1 16 . 1 1 210 210 ALA N N 210 124.929 124.929 122.609 2.320 25488 9401 1 16 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.636 -0.482 25488 9402 1 16 . 1 1 210 210 ALA H H 210 8.182 8.182 7.277 0.905 25488 9403 1 16 . 1 1 211 211 VAL N N 211 130.383 130.383 120.536 9.847 25488 9404 1 16 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.972 0.278 25488 9405 1 16 . 1 1 211 211 VAL H H 211 11.554 11.554 8.807 2.747 25488 9406 1 16 . 1 1 212 212 MET N N 212 113.319 113.319 114.874 -1.555 25488 9407 1 16 . 1 1 212 212 MET H H 212 7.741 7.741 7.850 -0.109 25488 9408 1 16 . 1 1 213 213 TYR N N 213 130.006 130.006 123.792 6.214 25488 9409 1 16 . 1 1 213 213 TYR H H 213 7.899 7.899 7.691 0.208 25488 9410 1 16 . 1 1 215 215 THR N N 215 104.747 104.747 112.458 -7.711 25488 9411 1 16 . 1 1 215 215 THR HA H 215 4.404 4.404 4.321 0.083 25488 9412 1 16 . 1 1 215 215 THR H H 215 6.402 6.402 7.359 -0.957 25488 9413 1 16 . 1 1 216 216 TYR N N 216 124.699 124.699 123.628 1.071 25488 9414 1 16 . 1 1 216 216 TYR H H 216 8.341 8.341 8.251 0.090 25488 9415 1 16 . 1 1 217 217 GLY N N 217 116.288 116.288 109.765 6.523 25488 9416 1 16 . 1 1 217 217 GLY H H 217 7.685 7.685 8.645 -0.960 25488 9417 1 16 . 1 1 218 218 ASN N N 218 119.920 119.920 117.335 2.585 25488 9418 1 16 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.862 -0.242 25488 9419 1 16 . 1 1 218 218 ASN H H 218 8.221 8.221 8.491 -0.270 25488 9420 1 16 . 1 1 219 219 GLY N N 219 109.601 109.601 109.609 -0.008 25488 9421 1 16 . 1 1 219 219 GLY H H 219 8.072 8.072 7.766 0.306 25488 9422 1 16 . 1 1 220 220 ASP N N 220 123.006 123.006 118.892 4.114 25488 9423 1 16 . 1 1 220 220 ASP H H 220 8.280 8.280 8.221 0.059 25488 9424 1 16 . 1 1 222 222 GLN N N 222 116.642 116.642 120.162 -3.520 25488 9425 1 16 . 1 1 222 222 GLN H H 222 8.215 8.215 8.555 -0.340 25488 9426 1 16 . 1 1 223 223 ASN N N 223 118.361 118.361 116.944 1.417 25488 9427 1 16 . 1 1 223 223 ASN H H 223 7.970 7.970 8.293 -0.323 25488 9428 1 16 . 1 1 225 225 LYS N N 225 122.215 122.215 123.292 -1.077 25488 9429 1 16 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.572 -0.156 25488 9430 1 16 . 1 1 225 225 LYS H H 225 7.656 7.656 8.881 -1.225 25488 9431 1 16 . 1 1 226 226 LEU N N 226 119.165 119.165 121.468 -2.303 25488 9432 1 16 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.494 -0.406 25488 9433 1 16 . 1 1 226 226 LEU H H 226 7.984 7.984 8.458 -0.474 25488 9434 1 16 . 1 1 227 227 SER N N 227 120.520 120.520 116.883 3.637 25488 9435 1 16 . 1 1 227 227 SER HA H 227 4.676 4.676 4.523 0.153 25488 9436 1 16 . 1 1 227 227 SER H H 227 9.646 9.646 8.471 1.175 25488 9437 1 16 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.231 0.443 25488 9438 1 16 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.436 -0.062 25488 9439 1 16 . 1 1 229 229 ASP H H 229 8.113 8.113 8.330 -0.217 25488 9440 1 16 . 1 1 230 230 ASP N N 230 119.878 119.878 118.449 1.429 25488 9441 1 16 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.514 -0.176 25488 9442 1 16 . 1 1 230 230 ASP H H 230 7.397 7.397 8.384 -0.987 25488 9443 1 16 . 1 1 231 231 ILE N N 231 120.389 120.389 117.579 2.810 25488 9444 1 16 . 1 1 231 231 ILE HA H 231 3.655 3.655 4.141 -0.486 25488 9445 1 16 . 1 1 231 231 ILE H H 231 8.100 8.100 7.248 0.852 25488 9446 1 16 . 1 1 232 232 LYS N N 232 119.084 119.084 121.849 -2.765 25488 9447 1 16 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.095 0.000 25488 9448 1 16 . 1 1 232 232 LYS H H 232 8.581 8.581 7.846 0.735 25488 9449 1 16 . 1 1 233 233 GLY N N 233 106.424 106.424 105.953 0.471 25488 9450 1 16 . 1 1 233 233 GLY H H 233 8.061 8.061 8.349 -0.288 25488 9451 1 16 . 1 1 234 234 ILE N N 234 125.166 125.166 122.647 2.519 25488 9452 1 16 . 1 1 234 234 ILE H H 234 8.517 8.517 7.885 0.632 25488 9453 1 16 . 1 1 235 235 GLN N N 235 122.969 122.969 120.676 2.293 25488 9454 1 16 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.196 0.185 25488 9455 1 16 . 1 1 235 235 GLN H H 235 8.291 8.291 8.749 -0.458 25488 9456 1 16 . 1 1 236 236 LYS N N 236 123.770 123.770 118.299 5.471 25488 9457 1 16 . 1 1 236 236 LYS H H 236 8.035 8.035 7.822 0.213 25488 9458 1 16 . 1 1 237 237 LEU N N 237 116.854 116.854 118.038 -1.184 25488 9459 1 16 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.156 -0.197 25488 9460 1 16 . 1 1 237 237 LEU H H 237 6.886 6.886 7.772 -0.886 25488 9461 1 16 . 1 1 238 238 TYR N N 238 112.132 112.132 117.095 -4.963 25488 9462 1 16 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.542 0.084 25488 9463 1 16 . 1 1 238 238 TYR H H 238 7.459 7.459 8.078 -0.619 25488 9464 1 16 . 1 1 239 239 GLY N N 239 110.898 110.898 105.781 5.117 25488 9465 1 16 . 1 1 239 239 GLY H H 239 8.442 8.442 8.171 0.271 25488 9466 1 16 . 1 1 240 240 LYS N N 240 114.400 114.400 118.785 -4.385 25488 9467 1 16 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.573 0.231 25488 9468 1 16 . 1 1 240 240 LYS H H 240 7.865 7.865 8.258 -0.393 25488 9469 1 16 . 1 1 241 241 ARG N N 241 123.851 123.851 121.131 2.720 25488 9470 1 16 . 1 1 241 241 ARG H H 241 7.760 7.760 8.466 -0.706 25488 9471 1 16 . 1 1 242 242 SER N N 242 135.647 135.647 117.595 18.052 25488 9472 1 16 . 1 1 242 242 SER H H 242 9.158 9.158 8.682 0.476 25488 9473 1 17 . 1 1 3 3 GLU N N 3 121.690 121.690 120.585 1.105 25488 9474 1 17 . 1 1 3 3 GLU H H 3 8.332 8.332 8.214 0.118 25488 9475 1 17 . 1 1 4 4 ALA N N 4 124.526 124.526 119.667 4.859 25488 9476 1 17 . 1 1 4 4 ALA H H 4 8.111 8.111 8.302 -0.191 25488 9477 1 17 . 1 1 5 5 GLY N N 5 108.229 108.229 103.000 5.229 25488 9478 1 17 . 1 1 5 5 GLY H H 5 8.286 8.286 7.953 0.333 25488 9479 1 17 . 1 1 6 6 GLY N N 6 108.867 108.867 108.048 0.819 25488 9480 1 17 . 1 1 6 6 GLY H H 6 8.239 8.239 7.580 0.659 25488 9481 1 17 . 1 1 7 7 MET N N 7 119.984 119.984 119.794 0.190 25488 9482 1 17 . 1 1 7 7 MET H H 7 8.044 8.044 7.539 0.505 25488 9483 1 17 . 1 1 8 8 SER N N 8 118.771 118.771 115.945 2.826 25488 9484 1 17 . 1 1 8 8 SER HA H 8 4.239 4.239 4.436 -0.197 25488 9485 1 17 . 1 1 8 8 SER H H 8 8.738 8.738 8.282 0.456 25488 9486 1 17 . 1 1 9 9 GLU N N 9 122.551 122.551 120.160 2.391 25488 9487 1 17 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.312 -0.061 25488 9488 1 17 . 1 1 9 9 GLU H H 9 8.919 8.919 8.952 -0.033 25488 9489 1 17 . 1 1 10 10 LEU N N 10 120.638 120.638 118.464 2.174 25488 9490 1 17 . 1 1 10 10 LEU H H 10 8.017 8.017 7.817 0.200 25488 9491 1 17 . 1 1 11 11 GLN N N 11 119.889 119.889 118.471 1.418 25488 9492 1 17 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.948 0.186 25488 9493 1 17 . 1 1 11 11 GLN H H 11 7.807 7.807 7.717 0.090 25488 9494 1 17 . 1 1 12 12 TRP N N 12 120.951 120.951 121.530 -0.579 25488 9495 1 17 . 1 1 12 12 TRP H H 12 8.202 8.202 8.099 0.103 25488 9496 1 17 . 1 1 13 13 GLU N N 13 121.870 121.870 117.972 3.898 25488 9497 1 17 . 1 1 13 13 GLU H H 13 8.436 8.436 8.275 0.161 25488 9498 1 17 . 1 1 14 14 GLN N N 14 120.646 120.646 118.217 2.429 25488 9499 1 17 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.185 -0.016 25488 9500 1 17 . 1 1 14 14 GLN H H 14 8.159 8.159 7.625 0.534 25488 9501 1 17 . 1 1 15 15 ALA N N 15 123.216 123.216 123.799 -0.583 25488 9502 1 17 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.957 0.381 25488 9503 1 17 . 1 1 15 15 ALA H H 15 8.355 8.355 8.557 -0.202 25488 9504 1 17 . 1 1 16 16 GLN N N 16 117.766 117.766 116.721 1.045 25488 9505 1 17 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.955 -0.250 25488 9506 1 17 . 1 1 16 16 GLN H H 16 8.440 8.440 8.377 0.063 25488 9507 1 17 . 1 1 17 17 ASP N N 17 120.090 120.090 119.319 0.771 25488 9508 1 17 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.383 0.080 25488 9509 1 17 . 1 1 17 17 ASP H H 17 7.899 7.899 7.671 0.228 25488 9510 1 17 . 1 1 18 18 TYR N N 18 122.296 122.296 120.547 1.749 25488 9511 1 17 . 1 1 18 18 TYR H H 18 8.264 8.264 7.414 0.850 25488 9512 1 17 . 1 1 19 19 LEU N N 19 117.675 117.675 116.910 0.765 25488 9513 1 17 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.302 0.823 25488 9514 1 17 . 1 1 19 19 LEU H H 19 8.687 8.687 7.435 1.252 25488 9515 1 17 . 1 1 20 20 LYS N N 20 124.620 124.620 118.043 6.577 25488 9516 1 17 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.085 0.058 25488 9517 1 17 . 1 1 20 20 LYS H H 20 8.790 8.790 7.303 1.487 25488 9518 1 17 . 1 1 21 21 ARG N N 21 117.608 117.608 118.730 -1.122 25488 9519 1 17 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.942 -0.245 25488 9520 1 17 . 1 1 21 21 ARG H H 21 7.835 7.835 7.076 0.759 25488 9521 1 17 . 1 1 22 22 PHE N N 22 112.136 112.136 113.738 -1.602 25488 9522 1 17 . 1 1 22 22 PHE H H 22 8.003 8.003 6.751 1.252 25488 9523 1 17 . 1 1 23 23 TYR N N 23 116.244 116.244 117.491 -1.247 25488 9524 1 17 . 1 1 23 23 TYR H H 23 7.678 7.678 7.963 -0.285 25488 9525 1 17 . 1 1 24 24 LEU N N 24 115.582 115.582 117.362 -1.780 25488 9526 1 17 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.101 0.034 25488 9527 1 17 . 1 1 24 24 LEU H H 24 7.238 7.238 7.934 -0.696 25488 9528 1 17 . 1 1 25 25 TYR N N 25 119.996 119.996 119.523 0.473 25488 9529 1 17 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.711 -0.306 25488 9530 1 17 . 1 1 25 25 TYR H H 25 7.826 7.826 7.689 0.137 25488 9531 1 17 . 1 1 26 26 ASP N N 26 129.292 129.292 123.676 5.616 25488 9532 1 17 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.632 -0.171 25488 9533 1 17 . 1 1 26 26 ASP H H 26 8.121 8.121 8.048 0.073 25488 9534 1 17 . 1 1 28 28 GLU N N 28 122.115 122.115 122.087 0.028 25488 9535 1 17 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.234 0.047 25488 9536 1 17 . 1 1 28 28 GLU H H 28 8.262 8.262 7.880 0.382 25488 9537 1 17 . 1 1 29 29 THR N N 29 114.171 114.171 113.967 0.204 25488 9538 1 17 . 1 1 29 29 THR HA H 29 4.222 4.222 4.167 0.055 25488 9539 1 17 . 1 1 29 29 THR H H 29 7.496 7.496 7.693 -0.197 25488 9540 1 17 . 1 1 30 30 LYS N N 30 123.019 123.019 121.934 1.085 25488 9541 1 17 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.206 0.012 25488 9542 1 17 . 1 1 30 30 LYS H H 30 8.154 8.154 7.648 0.506 25488 9543 1 17 . 1 1 32 32 ALA N N 32 126.481 126.481 126.166 0.315 25488 9544 1 17 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.059 0.191 25488 9545 1 17 . 1 1 32 32 ALA H H 32 8.424 8.424 8.687 -0.263 25488 9546 1 17 . 1 1 33 33 ASN N N 33 116.834 116.834 116.095 0.739 25488 9547 1 17 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.688 0.010 25488 9548 1 17 . 1 1 33 33 ASN H H 33 8.312 8.312 7.997 0.315 25488 9549 1 17 . 1 1 34 34 SER N N 34 116.960 116.960 116.893 0.067 25488 9550 1 17 . 1 1 34 34 SER HA H 34 4.522 4.522 4.274 0.248 25488 9551 1 17 . 1 1 34 34 SER H H 34 8.112 8.112 7.732 0.380 25488 9552 1 17 . 1 1 35 35 LEU N N 35 125.335 125.335 122.979 2.356 25488 9553 1 17 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.079 -0.528 25488 9554 1 17 . 1 1 35 35 LEU H H 35 8.324 8.324 8.674 -0.350 25488 9555 1 17 . 1 1 36 36 GLU N N 36 119.302 119.302 119.223 0.079 25488 9556 1 17 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.853 0.090 25488 9557 1 17 . 1 1 36 36 GLU H H 36 8.239 8.239 7.841 0.398 25488 9558 1 17 . 1 1 37 37 ALA N N 37 120.683 120.683 119.411 1.272 25488 9559 1 17 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.326 -0.279 25488 9560 1 17 . 1 1 37 37 ALA H H 37 7.898 7.898 7.599 0.299 25488 9561 1 17 . 1 1 38 38 LYS N N 38 119.470 119.470 119.997 -0.527 25488 9562 1 17 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.147 0.186 25488 9563 1 17 . 1 1 38 38 LYS H H 38 8.217 8.217 7.788 0.429 25488 9564 1 17 . 1 1 39 39 LEU N N 39 122.664 122.664 118.661 4.003 25488 9565 1 17 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.137 -0.223 25488 9566 1 17 . 1 1 39 39 LEU H H 39 8.658 8.658 8.666 -0.008 25488 9567 1 17 . 1 1 40 40 LYS N N 40 118.301 118.301 118.897 -0.596 25488 9568 1 17 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.989 0.684 25488 9569 1 17 . 1 1 40 40 LYS H H 40 8.221 8.221 7.658 0.563 25488 9570 1 17 . 1 1 41 41 GLU N N 41 121.462 121.462 119.373 2.089 25488 9571 1 17 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.188 -0.120 25488 9572 1 17 . 1 1 41 41 GLU H H 41 7.736 7.736 7.805 -0.069 25488 9573 1 17 . 1 1 42 42 MET N N 42 123.761 123.761 119.274 4.487 25488 9574 1 17 . 1 1 42 42 MET HA H 42 4.046 4.046 4.367 -0.321 25488 9575 1 17 . 1 1 42 42 MET H H 42 7.672 7.672 7.698 -0.026 25488 9576 1 17 . 1 1 43 43 GLN N N 43 120.035 120.035 118.051 1.984 25488 9577 1 17 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.083 -0.287 25488 9578 1 17 . 1 1 43 43 GLN H H 43 8.904 8.904 7.898 1.006 25488 9579 1 17 . 1 1 44 44 LYS N N 44 119.131 119.131 119.775 -0.644 25488 9580 1 17 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.298 -0.246 25488 9581 1 17 . 1 1 44 44 LYS H H 44 8.511 8.511 7.785 0.726 25488 9582 1 17 . 1 1 45 45 PHE N N 45 123.544 123.544 120.173 3.371 25488 9583 1 17 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.409 -0.559 25488 9584 1 17 . 1 1 45 45 PHE H H 45 8.438 8.438 7.847 0.591 25488 9585 1 17 . 1 1 46 46 PHE N N 46 112.789 112.789 118.084 -5.295 25488 9586 1 17 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.212 0.370 25488 9587 1 17 . 1 1 46 46 PHE H H 46 8.273 8.273 8.097 0.176 25488 9588 1 17 . 1 1 47 47 GLY N N 47 110.408 110.408 105.946 4.462 25488 9589 1 17 . 1 1 47 47 GLY H H 47 7.922 7.922 7.702 0.220 25488 9590 1 17 . 1 1 48 48 LEU N N 48 121.853 121.853 123.716 -1.863 25488 9591 1 17 . 1 1 48 48 LEU H H 48 8.747 8.747 7.809 0.938 25488 9592 1 17 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.317 -0.116 25488 9593 1 17 . 1 1 50 50 ILE N N 50 127.000 127.000 120.247 6.753 25488 9594 1 17 . 1 1 50 50 ILE H H 50 8.529 8.529 7.687 0.842 25488 9595 1 17 . 1 1 51 51 THR N N 51 116.519 116.519 118.056 -1.537 25488 9596 1 17 . 1 1 51 51 THR H H 51 7.980 7.980 8.343 -0.363 25488 9597 1 17 . 1 1 52 52 GLY N N 52 112.725 112.725 114.974 -2.249 25488 9598 1 17 . 1 1 52 52 GLY H H 52 9.483 9.483 9.183 0.300 25488 9599 1 17 . 1 1 53 53 MET N N 53 116.735 116.735 120.610 -3.875 25488 9600 1 17 . 1 1 53 53 MET HA H 53 4.044 4.044 4.675 -0.631 25488 9601 1 17 . 1 1 53 53 MET H H 53 7.969 7.969 8.130 -0.161 25488 9602 1 17 . 1 1 54 54 LEU N N 54 122.602 122.602 128.156 -5.554 25488 9603 1 17 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.471 -0.765 25488 9604 1 17 . 1 1 54 54 LEU H H 54 7.926 7.926 8.306 -0.380 25488 9605 1 17 . 1 1 55 55 ASN N N 55 115.755 115.755 120.904 -5.149 25488 9606 1 17 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.033 -0.293 25488 9607 1 17 . 1 1 55 55 ASN H H 55 6.555 6.555 8.231 -1.676 25488 9608 1 17 . 1 1 56 56 SER N N 56 121.450 121.450 121.527 -0.077 25488 9609 1 17 . 1 1 56 56 SER HA H 56 4.662 4.662 3.965 0.697 25488 9610 1 17 . 1 1 56 56 SER H H 56 8.205 8.205 9.050 -0.845 25488 9611 1 17 . 1 1 57 57 ARG N N 57 123.219 123.219 122.463 0.756 25488 9612 1 17 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.034 0.172 25488 9613 1 17 . 1 1 57 57 ARG H H 57 7.883 7.883 7.757 0.126 25488 9614 1 17 . 1 1 58 58 VAL N N 58 118.843 118.843 118.349 0.494 25488 9615 1 17 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.695 -0.395 25488 9616 1 17 . 1 1 58 58 VAL H H 58 7.594 7.594 8.268 -0.674 25488 9617 1 17 . 1 1 59 59 ILE N N 59 119.212 119.212 119.314 -0.102 25488 9618 1 17 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.399 0.070 25488 9619 1 17 . 1 1 59 59 ILE H H 59 7.326 7.326 7.321 0.005 25488 9620 1 17 . 1 1 60 60 GLU N N 60 119.544 119.544 120.643 -1.099 25488 9621 1 17 . 1 1 60 60 GLU H H 60 7.880 7.880 7.837 0.043 25488 9622 1 17 . 1 1 61 61 ILE N N 61 118.812 118.812 112.721 6.091 25488 9623 1 17 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.861 -0.419 25488 9624 1 17 . 1 1 61 61 ILE H H 61 7.217 7.217 7.266 -0.049 25488 9625 1 17 . 1 1 62 62 MET N N 62 120.202 120.202 119.787 0.415 25488 9626 1 17 . 1 1 62 62 MET HA H 62 3.419 3.419 4.128 -0.709 25488 9627 1 17 . 1 1 62 62 MET H H 62 7.820 7.820 7.471 0.348 25488 9628 1 17 . 1 1 63 63 GLN N N 63 116.274 116.274 115.828 0.446 25488 9629 1 17 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.495 -0.254 25488 9630 1 17 . 1 1 63 63 GLN H H 63 7.442 7.442 7.857 -0.415 25488 9631 1 17 . 1 1 64 64 LYS N N 64 121.450 121.450 121.286 0.164 25488 9632 1 17 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.427 0.072 25488 9633 1 17 . 1 1 64 64 LYS H H 64 7.474 7.474 7.419 0.055 25488 9634 1 17 . 1 1 66 66 ARG N N 66 113.173 113.173 120.104 -6.931 25488 9635 1 17 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.334 0.105 25488 9636 1 17 . 1 1 66 66 ARG H H 66 8.151 8.151 8.359 -0.208 25488 9637 1 17 . 1 1 67 67 CYS N N 67 121.794 121.794 119.308 2.486 25488 9638 1 17 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.804 -0.384 25488 9639 1 17 . 1 1 67 67 CYS H H 67 7.709 7.709 8.226 -0.517 25488 9640 1 17 . 1 1 68 68 GLY N N 68 116.255 116.255 111.164 5.091 25488 9641 1 17 . 1 1 68 68 GLY H H 68 9.707 9.707 8.585 1.122 25488 9642 1 17 . 1 1 69 69 VAL N N 69 126.541 126.541 114.052 12.489 25488 9643 1 17 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.111 -0.304 25488 9644 1 17 . 1 1 69 69 VAL H H 69 9.118 9.118 6.811 2.307 25488 9645 1 17 . 1 1 71 71 ASP N N 71 119.114 119.114 126.011 -6.897 25488 9646 1 17 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.633 -0.150 25488 9647 1 17 . 1 1 71 71 ASP H H 71 8.067 8.067 8.456 -0.389 25488 9648 1 17 . 1 1 72 72 VAL N N 72 112.988 112.988 117.637 -4.649 25488 9649 1 17 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.297 -0.016 25488 9650 1 17 . 1 1 72 72 VAL H H 72 6.438 6.438 7.218 -0.780 25488 9651 1 17 . 1 1 73 73 ALA N N 73 125.902 125.902 125.466 0.436 25488 9652 1 17 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.446 -0.179 25488 9653 1 17 . 1 1 73 73 ALA H H 73 8.171 8.171 8.585 -0.414 25488 9654 1 17 . 1 1 74 74 GLU N N 74 120.835 120.835 124.396 -3.561 25488 9655 1 17 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.632 -0.549 25488 9656 1 17 . 1 1 74 74 GLU H H 74 8.385 8.385 7.838 0.547 25488 9657 1 17 . 1 1 75 75 TYR N N 75 121.820 121.820 119.672 2.148 25488 9658 1 17 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.277 0.117 25488 9659 1 17 . 1 1 75 75 TYR H H 75 8.102 8.102 8.819 -0.717 25488 9660 1 17 . 1 1 76 76 SER N N 76 117.881 117.881 115.718 2.163 25488 9661 1 17 . 1 1 76 76 SER H H 76 7.718 7.718 8.449 -0.731 25488 9662 1 17 . 1 1 77 77 LEU N N 77 123.835 123.835 121.729 2.106 25488 9663 1 17 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.502 -0.410 25488 9664 1 17 . 1 1 77 77 LEU H H 77 8.033 8.033 7.697 0.336 25488 9665 1 17 . 1 1 78 78 PHE N N 78 118.893 118.893 119.453 -0.560 25488 9666 1 17 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.078 -0.233 25488 9667 1 17 . 1 1 78 78 PHE H H 78 7.822 7.822 7.263 0.559 25488 9668 1 17 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.441 -0.110 25488 9669 1 17 . 1 1 80 80 ASN N N 80 118.184 118.184 122.634 -4.450 25488 9670 1 17 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.846 -0.166 25488 9671 1 17 . 1 1 80 80 ASN H H 80 8.106 8.106 8.152 -0.046 25488 9672 1 17 . 1 1 81 81 SER HA H 81 4.636 4.636 4.950 -0.314 25488 9673 1 17 . 1 1 83 83 LYS N N 83 114.696 114.696 119.025 -4.329 25488 9674 1 17 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.581 -0.358 25488 9675 1 17 . 1 1 83 83 LYS H H 83 7.361 7.361 8.127 -0.766 25488 9676 1 17 . 1 1 84 84 TRP N N 84 122.459 122.459 122.593 -0.134 25488 9677 1 17 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.845 -0.842 25488 9678 1 17 . 1 1 84 84 TRP H H 84 8.020 8.020 9.180 -1.160 25488 9679 1 17 . 1 1 85 85 THR N N 85 113.482 113.482 118.562 -5.080 25488 9680 1 17 . 1 1 85 85 THR HA H 85 4.586 4.586 4.287 0.299 25488 9681 1 17 . 1 1 85 85 THR H H 85 8.833 8.833 8.382 0.451 25488 9682 1 17 . 1 1 86 86 SER N N 86 117.316 117.316 116.867 0.449 25488 9683 1 17 . 1 1 86 86 SER HA H 86 4.665 4.665 4.736 -0.071 25488 9684 1 17 . 1 1 86 86 SER H H 86 7.724 7.724 7.847 -0.123 25488 9685 1 17 . 1 1 87 87 LYS N N 87 120.411 120.411 125.556 -5.145 25488 9686 1 17 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.031 0.108 25488 9687 1 17 . 1 1 87 87 LYS H H 87 8.312 8.312 8.655 -0.343 25488 9688 1 17 . 1 1 88 88 VAL N N 88 117.674 117.674 119.063 -1.389 25488 9689 1 17 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.577 0.074 25488 9690 1 17 . 1 1 88 88 VAL H H 88 7.425 7.425 7.124 0.301 25488 9691 1 17 . 1 1 89 89 VAL N N 89 131.493 131.493 128.720 2.773 25488 9692 1 17 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.525 -0.384 25488 9693 1 17 . 1 1 89 89 VAL H H 89 8.574 8.574 9.101 -0.527 25488 9694 1 17 . 1 1 90 90 THR N N 90 118.245 118.245 118.405 -0.160 25488 9695 1 17 . 1 1 90 90 THR HA H 90 5.627 5.627 5.567 0.060 25488 9696 1 17 . 1 1 90 90 THR H H 90 9.021 9.021 8.786 0.235 25488 9697 1 17 . 1 1 91 91 TYR N N 91 118.267 118.267 119.852 -1.585 25488 9698 1 17 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.705 -0.031 25488 9699 1 17 . 1 1 91 91 TYR H H 91 8.555 8.555 8.792 -0.237 25488 9700 1 17 . 1 1 92 92 ARG N N 92 120.260 120.260 123.399 -3.139 25488 9701 1 17 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.122 -0.476 25488 9702 1 17 . 1 1 92 92 ARG H H 92 8.513 8.513 9.200 -0.687 25488 9703 1 17 . 1 1 93 93 ILE N N 93 128.361 128.361 126.833 1.528 25488 9704 1 17 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.467 0.152 25488 9705 1 17 . 1 1 93 93 ILE H H 93 8.878 8.878 8.933 -0.055 25488 9706 1 17 . 1 1 94 94 VAL N N 94 126.374 126.374 128.243 -1.869 25488 9707 1 17 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.112 -0.112 25488 9708 1 17 . 1 1 94 94 VAL H H 94 9.492 9.492 9.088 0.404 25488 9709 1 17 . 1 1 95 95 SER N N 95 113.303 113.303 113.168 0.135 25488 9710 1 17 . 1 1 95 95 SER HA H 95 4.705 4.705 4.791 -0.086 25488 9711 1 17 . 1 1 95 95 SER H H 95 7.431 7.431 7.660 -0.229 25488 9712 1 17 . 1 1 96 96 TYR N N 96 117.054 117.054 119.830 -2.776 25488 9713 1 17 . 1 1 96 96 TYR H H 96 8.255 8.255 8.194 0.061 25488 9714 1 17 . 1 1 98 98 ARG N N 98 128.445 128.445 124.006 4.439 25488 9715 1 17 . 1 1 98 98 ARG HA H 98 4.338 4.338 3.855 0.483 25488 9716 1 17 . 1 1 98 98 ARG H H 98 8.964 8.964 8.477 0.487 25488 9717 1 17 . 1 1 99 99 ASP N N 99 120.412 120.412 120.353 0.059 25488 9718 1 17 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.518 -0.183 25488 9719 1 17 . 1 1 99 99 ASP H H 99 8.695 8.695 8.457 0.238 25488 9720 1 17 . 1 1 100 100 LEU N N 100 116.851 116.851 117.778 -0.927 25488 9721 1 17 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.805 0.128 25488 9722 1 17 . 1 1 100 100 LEU H H 100 6.902 6.902 7.679 -0.777 25488 9723 1 17 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.908 0.259 25488 9724 1 17 . 1 1 103 103 ILE N N 103 115.469 115.469 113.788 1.681 25488 9725 1 17 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.746 0.427 25488 9726 1 17 . 1 1 103 103 ILE H H 103 8.296 8.296 8.018 0.278 25488 9727 1 17 . 1 1 104 104 THR N N 104 119.413 119.413 113.093 6.320 25488 9728 1 17 . 1 1 104 104 THR HA H 104 4.019 4.019 4.061 -0.042 25488 9729 1 17 . 1 1 104 104 THR H H 104 6.915 6.915 8.193 -1.278 25488 9730 1 17 . 1 1 105 105 VAL N N 105 123.232 123.232 120.156 3.076 25488 9731 1 17 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.556 -0.142 25488 9732 1 17 . 1 1 105 105 VAL H H 105 7.379 7.379 7.112 0.267 25488 9733 1 17 . 1 1 106 106 ASP N N 106 120.160 120.160 118.758 1.402 25488 9734 1 17 . 1 1 106 106 ASP H H 106 8.615 8.615 8.093 0.522 25488 9735 1 17 . 1 1 107 107 ARG N N 107 121.041 121.041 118.278 2.763 25488 9736 1 17 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.051 0.039 25488 9737 1 17 . 1 1 107 107 ARG H H 107 8.372 8.372 7.508 0.864 25488 9738 1 17 . 1 1 108 108 LEU N N 108 121.644 121.644 119.834 1.810 25488 9739 1 17 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.226 0.027 25488 9740 1 17 . 1 1 108 108 LEU H H 108 8.768 8.768 7.583 1.185 25488 9741 1 17 . 1 1 109 109 VAL N N 109 120.347 120.347 116.778 3.569 25488 9742 1 17 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.506 -0.135 25488 9743 1 17 . 1 1 109 109 VAL H H 109 8.762 8.762 8.453 0.309 25488 9744 1 17 . 1 1 110 110 SER N N 110 112.949 112.949 117.108 -4.159 25488 9745 1 17 . 1 1 110 110 SER HA H 110 4.270 4.270 4.045 0.225 25488 9746 1 17 . 1 1 110 110 SER H H 110 7.605 7.605 7.619 -0.014 25488 9747 1 17 . 1 1 111 111 LYS N N 111 122.434 122.434 121.805 0.629 25488 9748 1 17 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.950 0.092 25488 9749 1 17 . 1 1 111 111 LYS H H 111 8.146 8.146 8.062 0.084 25488 9750 1 17 . 1 1 112 112 ALA N N 112 124.099 124.099 122.501 1.598 25488 9751 1 17 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.971 0.106 25488 9752 1 17 . 1 1 112 112 ALA H H 112 8.270 8.270 7.551 0.719 25488 9753 1 17 . 1 1 113 113 LEU N N 113 116.251 116.251 116.752 -0.501 25488 9754 1 17 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.870 -0.148 25488 9755 1 17 . 1 1 113 113 LEU H H 113 8.019 8.019 7.554 0.465 25488 9756 1 17 . 1 1 114 114 ASN N N 114 116.659 116.659 118.010 -1.351 25488 9757 1 17 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.356 0.173 25488 9758 1 17 . 1 1 114 114 ASN H H 114 8.197 8.197 8.154 0.043 25488 9759 1 17 . 1 1 115 115 MET N N 115 122.118 122.118 118.850 3.268 25488 9760 1 17 . 1 1 115 115 MET HA H 115 4.013 4.013 3.944 0.069 25488 9761 1 17 . 1 1 115 115 MET H H 115 7.918 7.918 7.534 0.384 25488 9762 1 17 . 1 1 116 116 TRP N N 116 117.117 117.117 116.002 1.115 25488 9763 1 17 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.788 -0.278 25488 9764 1 17 . 1 1 116 116 TRP H H 116 6.773 6.773 7.178 -0.405 25488 9765 1 17 . 1 1 117 117 GLY N N 117 104.656 104.656 108.166 -3.510 25488 9766 1 17 . 1 1 117 117 GLY H H 117 9.305 9.305 8.401 0.904 25488 9767 1 17 . 1 1 118 118 LYS N N 118 118.567 118.567 119.106 -0.539 25488 9768 1 17 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.247 -0.070 25488 9769 1 17 . 1 1 118 118 LYS H H 118 7.947 7.947 7.791 0.156 25488 9770 1 17 . 1 1 119 119 GLU N N 119 113.899 113.899 118.376 -4.477 25488 9771 1 17 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.409 0.399 25488 9772 1 17 . 1 1 119 119 GLU H H 119 7.773 7.773 7.720 0.053 25488 9773 1 17 . 1 1 120 120 ILE N N 120 111.215 111.215 120.403 -9.188 25488 9774 1 17 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.916 0.405 25488 9775 1 17 . 1 1 120 120 ILE H H 120 7.528 7.528 7.863 -0.335 25488 9776 1 17 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.304 0.317 25488 9777 1 17 . 1 1 122 122 LEU N N 122 121.481 121.481 122.603 -1.122 25488 9778 1 17 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.075 0.217 25488 9779 1 17 . 1 1 122 122 LEU H H 122 6.815 6.815 7.673 -0.858 25488 9780 1 17 . 1 1 123 123 HIS N N 123 120.769 120.769 121.857 -1.088 25488 9781 1 17 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.823 -0.231 25488 9782 1 17 . 1 1 123 123 HIS H H 123 7.709 7.709 8.328 -0.619 25488 9783 1 17 . 1 1 124 124 PHE N N 124 120.530 120.530 124.522 -3.992 25488 9784 1 17 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.306 0.506 25488 9785 1 17 . 1 1 124 124 PHE H H 124 8.306 8.306 9.071 -0.765 25488 9786 1 17 . 1 1 125 125 ARG N N 125 123.891 123.891 125.068 -1.177 25488 9787 1 17 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.714 -0.061 25488 9788 1 17 . 1 1 125 125 ARG H H 125 8.408 8.408 9.231 -0.823 25488 9789 1 17 . 1 1 126 126 LYS N N 126 130.178 130.178 126.992 3.186 25488 9790 1 17 . 1 1 126 126 LYS HA H 126 3.361 3.361 4.156 -0.795 25488 9791 1 17 . 1 1 126 126 LYS H H 126 8.468 8.468 8.287 0.181 25488 9792 1 17 . 1 1 127 127 VAL N N 127 125.180 125.180 126.602 -1.422 25488 9793 1 17 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.122 0.386 25488 9794 1 17 . 1 1 127 127 VAL H H 127 8.679 8.679 8.682 -0.003 25488 9795 1 17 . 1 1 128 128 VAL N N 128 117.584 117.584 118.941 -1.357 25488 9796 1 17 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.401 -0.115 25488 9797 1 17 . 1 1 128 128 VAL H H 128 8.469 8.469 8.349 0.120 25488 9798 1 17 . 1 1 129 129 TRP N N 129 119.805 119.805 117.199 2.606 25488 9799 1 17 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.809 -0.123 25488 9800 1 17 . 1 1 129 129 TRP H H 129 7.447 7.447 7.353 0.094 25488 9801 1 17 . 1 1 130 130 GLY N N 130 109.844 109.844 111.347 -1.503 25488 9802 1 17 . 1 1 130 130 GLY H H 130 8.072 8.072 8.398 -0.326 25488 9803 1 17 . 1 1 131 131 THR N N 131 116.125 116.125 111.127 4.998 25488 9804 1 17 . 1 1 131 131 THR HA H 131 4.123 4.123 4.457 -0.334 25488 9805 1 17 . 1 1 131 131 THR H H 131 8.196 8.196 8.249 -0.053 25488 9806 1 17 . 1 1 132 132 ALA N N 132 129.613 129.613 127.322 2.291 25488 9807 1 17 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.461 0.050 25488 9808 1 17 . 1 1 132 132 ALA H H 132 7.919 7.919 8.031 -0.112 25488 9809 1 17 . 1 1 133 133 ASP N N 133 123.004 123.004 122.379 0.625 25488 9810 1 17 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.701 -0.259 25488 9811 1 17 . 1 1 133 133 ASP H H 133 8.248 8.248 8.513 -0.265 25488 9812 1 17 . 1 1 134 134 ILE N N 134 125.478 125.478 119.907 5.571 25488 9813 1 17 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.614 -0.521 25488 9814 1 17 . 1 1 134 134 ILE H H 134 8.804 8.804 8.071 0.733 25488 9815 1 17 . 1 1 135 135 MET N N 135 127.471 127.471 126.641 0.830 25488 9816 1 17 . 1 1 135 135 MET HA H 135 5.194 5.194 5.335 -0.141 25488 9817 1 17 . 1 1 135 135 MET H H 135 7.437 7.437 9.502 -2.065 25488 9818 1 17 . 1 1 136 136 ILE N N 136 125.040 125.040 124.337 0.703 25488 9819 1 17 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.210 0.367 25488 9820 1 17 . 1 1 136 136 ILE H H 136 9.085 9.085 8.811 0.274 25488 9821 1 17 . 1 1 137 137 GLY N N 137 112.059 112.059 114.093 -2.034 25488 9822 1 17 . 1 1 137 137 GLY H H 137 8.568 8.568 8.433 0.135 25488 9823 1 17 . 1 1 138 138 PHE N N 138 119.447 119.447 122.245 -2.798 25488 9824 1 17 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.429 0.025 25488 9825 1 17 . 1 1 138 138 PHE H H 138 7.861 7.861 8.713 -0.852 25488 9826 1 17 . 1 1 139 139 ALA N N 139 123.657 123.657 126.512 -2.855 25488 9827 1 17 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.742 -0.007 25488 9828 1 17 . 1 1 139 139 ALA H H 139 8.939 8.939 8.694 0.245 25488 9829 1 17 . 1 1 140 140 ARG N N 140 118.688 118.688 118.960 -0.272 25488 9830 1 17 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.661 0.413 25488 9831 1 17 . 1 1 140 140 ARG H H 140 8.563 8.563 8.603 -0.040 25488 9832 1 17 . 1 1 141 141 GLY N N 141 108.964 108.964 108.621 0.343 25488 9833 1 17 . 1 1 141 141 GLY H H 141 9.018 9.018 9.275 -0.257 25488 9834 1 17 . 1 1 143 143 HIS N N 143 120.218 120.218 116.271 3.947 25488 9835 1 17 . 1 1 143 143 HIS H H 143 8.998 8.998 8.248 0.750 25488 9836 1 17 . 1 1 145 145 ASP N N 145 117.684 117.684 121.557 -3.873 25488 9837 1 17 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.796 -0.096 25488 9838 1 17 . 1 1 145 145 ASP H H 145 7.088 7.088 8.101 -1.013 25488 9839 1 17 . 1 1 146 146 SER HA H 146 4.140 4.140 4.283 -0.143 25488 9840 1 17 . 1 1 146 146 SER H H 146 8.220 8.220 8.458 -0.238 25488 9841 1 17 . 1 1 147 147 TYR N N 147 120.867 120.867 115.652 5.215 25488 9842 1 17 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.263 0.525 25488 9843 1 17 . 1 1 147 147 TYR H H 147 7.459 7.459 8.114 -0.655 25488 9844 1 17 . 1 1 149 149 PHE N N 149 120.630 120.630 120.033 0.597 25488 9845 1 17 . 1 1 149 149 PHE H H 149 8.018 8.018 8.094 -0.076 25488 9846 1 17 . 1 1 150 150 ASP N N 150 115.626 115.626 118.382 -2.756 25488 9847 1 17 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.185 0.658 25488 9848 1 17 . 1 1 150 150 ASP H H 150 7.543 7.543 7.941 -0.398 25488 9849 1 17 . 1 1 151 151 GLY N N 151 110.700 110.700 108.874 1.826 25488 9850 1 17 . 1 1 151 151 GLY H H 151 9.074 9.074 8.422 0.652 25488 9851 1 17 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.312 -0.286 25488 9852 1 17 . 1 1 153 153 GLY N N 153 118.786 118.786 111.738 7.048 25488 9853 1 17 . 1 1 153 153 GLY H H 153 11.385 11.385 8.588 2.797 25488 9854 1 17 . 1 1 154 154 ASN N N 154 120.613 120.613 118.909 1.704 25488 9855 1 17 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.216 -0.018 25488 9856 1 17 . 1 1 154 154 ASN H H 154 9.225 9.225 8.404 0.821 25488 9857 1 17 . 1 1 155 155 THR N N 155 118.700 118.700 115.436 3.264 25488 9858 1 17 . 1 1 155 155 THR HA H 155 5.542 5.542 4.343 1.199 25488 9859 1 17 . 1 1 155 155 THR H H 155 9.519 9.519 8.323 1.196 25488 9860 1 17 . 1 1 156 156 LEU N N 156 122.765 122.765 118.398 4.367 25488 9861 1 17 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.949 -0.007 25488 9862 1 17 . 1 1 156 156 LEU H H 156 8.500 8.500 8.153 0.347 25488 9863 1 17 . 1 1 157 157 ALA N N 157 115.545 115.545 120.547 -5.002 25488 9864 1 17 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.763 0.244 25488 9865 1 17 . 1 1 157 157 ALA H H 157 7.545 7.545 7.514 0.031 25488 9866 1 17 . 1 1 158 158 HIS N N 158 111.868 111.868 118.080 -6.212 25488 9867 1 17 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.689 -0.072 25488 9868 1 17 . 1 1 158 158 HIS H H 158 8.774 8.774 8.120 0.654 25488 9869 1 17 . 1 1 159 159 ALA N N 159 118.565 118.565 123.701 -5.136 25488 9870 1 17 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.561 0.096 25488 9871 1 17 . 1 1 159 159 ALA H H 159 6.114 6.114 8.120 -2.006 25488 9872 1 17 . 1 1 160 160 PHE N N 160 118.042 118.042 121.506 -3.464 25488 9873 1 17 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.856 -0.375 25488 9874 1 17 . 1 1 160 160 PHE H H 160 7.897 7.897 8.897 -1.000 25488 9875 1 17 . 1 1 161 161 ALA N N 161 123.548 123.548 123.967 -0.419 25488 9876 1 17 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.558 -0.075 25488 9877 1 17 . 1 1 161 161 ALA H H 161 8.089 8.089 8.656 -0.567 25488 9878 1 17 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.082 -1.211 25488 9879 1 17 . 1 1 163 163 GLY N N 163 107.255 107.255 110.534 -3.279 25488 9880 1 17 . 1 1 163 163 GLY H H 163 5.992 5.992 7.399 -1.407 25488 9881 1 17 . 1 1 165 165 GLY H H 165 9.149 9.149 7.751 1.398 25488 9882 1 17 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.175 -0.022 25488 9883 1 17 . 1 1 167 167 GLY N N 167 103.338 103.338 104.267 -0.929 25488 9884 1 17 . 1 1 167 167 GLY H H 167 7.774 7.774 7.700 0.074 25488 9885 1 17 . 1 1 168 168 GLY N N 168 121.031 121.031 107.893 13.138 25488 9886 1 17 . 1 1 168 168 GLY H H 168 7.685 7.685 8.334 -0.649 25488 9887 1 17 . 1 1 169 169 ASP N N 169 123.703 123.703 121.026 2.677 25488 9888 1 17 . 1 1 169 169 ASP H H 169 8.578 8.578 7.765 0.813 25488 9889 1 17 . 1 1 170 170 ALA N N 170 119.569 119.569 121.277 -1.708 25488 9890 1 17 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.981 -0.277 25488 9891 1 17 . 1 1 170 170 ALA H H 170 8.371 8.371 8.561 -0.190 25488 9892 1 17 . 1 1 171 171 HIS N N 171 120.286 120.286 117.532 2.754 25488 9893 1 17 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.293 0.437 25488 9894 1 17 . 1 1 171 171 HIS H H 171 8.513 8.513 7.777 0.736 25488 9895 1 17 . 1 1 172 172 PHE N N 172 120.919 120.919 120.258 0.661 25488 9896 1 17 . 1 1 172 172 PHE H H 172 8.457 8.457 9.176 -0.719 25488 9897 1 17 . 1 1 173 173 ASP N N 173 123.993 123.993 122.115 1.878 25488 9898 1 17 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.848 -0.952 25488 9899 1 17 . 1 1 173 173 ASP H H 173 7.915 7.915 8.503 -0.588 25488 9900 1 17 . 1 1 174 174 GLU N N 174 132.684 132.684 127.824 4.860 25488 9901 1 17 . 1 1 174 174 GLU H H 174 9.461 9.461 8.665 0.796 25488 9902 1 17 . 1 1 175 175 ASP N N 175 117.313 117.313 117.744 -0.431 25488 9903 1 17 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.690 0.107 25488 9904 1 17 . 1 1 175 175 ASP H H 175 8.756 8.756 8.266 0.490 25488 9905 1 17 . 1 1 176 176 GLU N N 176 116.511 116.511 119.723 -3.212 25488 9906 1 17 . 1 1 176 176 GLU H H 176 7.154 7.154 7.714 -0.560 25488 9907 1 17 . 1 1 177 177 ARG N N 177 121.920 121.920 124.438 -2.518 25488 9908 1 17 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.463 0.162 25488 9909 1 17 . 1 1 177 177 ARG H H 177 7.555 7.555 8.201 -0.646 25488 9910 1 17 . 1 1 178 178 TRP N N 178 129.182 129.182 125.581 3.601 25488 9911 1 17 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.445 -0.332 25488 9912 1 17 . 1 1 178 178 TRP H H 178 8.788 8.788 8.782 0.006 25488 9913 1 17 . 1 1 179 179 THR N N 179 112.874 112.874 113.310 -0.436 25488 9914 1 17 . 1 1 179 179 THR HA H 179 5.015 5.015 4.760 0.255 25488 9915 1 17 . 1 1 179 179 THR H H 179 8.946 8.946 9.183 -0.237 25488 9916 1 17 . 1 1 180 180 ASP N N 180 121.969 121.969 122.152 -0.183 25488 9917 1 17 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.850 -0.428 25488 9918 1 17 . 1 1 180 180 ASP H H 180 8.478 8.478 8.767 -0.289 25488 9919 1 17 . 1 1 181 181 GLY N N 181 110.059 110.059 106.972 3.087 25488 9920 1 17 . 1 1 181 181 GLY H H 181 8.572 8.572 8.298 0.274 25488 9921 1 17 . 1 1 182 182 SER N N 182 115.564 115.564 117.286 -1.722 25488 9922 1 17 . 1 1 182 182 SER HA H 182 4.599 4.599 4.604 -0.005 25488 9923 1 17 . 1 1 182 182 SER H H 182 8.173 8.173 8.062 0.111 25488 9924 1 17 . 1 1 183 183 SER N N 183 117.066 117.066 114.266 2.800 25488 9925 1 17 . 1 1 183 183 SER H H 183 7.819 7.819 8.122 -0.303 25488 9926 1 17 . 1 1 184 184 LEU N N 184 121.954 121.954 118.905 3.049 25488 9927 1 17 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.719 -0.357 25488 9928 1 17 . 1 1 184 184 LEU H H 184 8.104 8.104 7.478 0.626 25488 9929 1 17 . 1 1 185 185 GLY N N 185 108.989 108.989 105.885 3.104 25488 9930 1 17 . 1 1 185 185 GLY H H 185 7.954 7.954 7.418 0.536 25488 9931 1 17 . 1 1 186 186 ILE N N 186 123.084 123.084 119.466 3.618 25488 9932 1 17 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.223 -0.444 25488 9933 1 17 . 1 1 186 186 ILE H H 186 8.878 8.878 8.135 0.743 25488 9934 1 17 . 1 1 187 187 ASN N N 187 126.999 126.999 125.238 1.761 25488 9935 1 17 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.874 -0.478 25488 9936 1 17 . 1 1 187 187 ASN H H 187 8.575 8.575 9.007 -0.432 25488 9937 1 17 . 1 1 188 188 PHE N N 188 129.819 129.819 128.693 1.126 25488 9938 1 17 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.425 0.166 25488 9939 1 17 . 1 1 188 188 PHE H H 188 9.365 9.365 9.539 -0.174 25488 9940 1 17 . 1 1 189 189 LEU N N 189 119.292 119.292 122.103 -2.811 25488 9941 1 17 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.742 0.091 25488 9942 1 17 . 1 1 189 189 LEU H H 189 8.551 8.551 7.872 0.679 25488 9943 1 17 . 1 1 191 191 ALA N N 191 120.347 120.347 123.294 -2.947 25488 9944 1 17 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.000 0.297 25488 9945 1 17 . 1 1 191 191 ALA H H 191 7.973 7.973 7.779 0.194 25488 9946 1 17 . 1 1 192 192 ALA N N 192 121.365 121.365 119.991 1.374 25488 9947 1 17 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.161 -0.144 25488 9948 1 17 . 1 1 192 192 ALA H H 192 9.258 9.258 8.210 1.048 25488 9949 1 17 . 1 1 193 193 THR N N 193 117.027 117.027 114.305 2.722 25488 9950 1 17 . 1 1 193 193 THR HA H 193 3.825 3.825 4.215 -0.390 25488 9951 1 17 . 1 1 193 193 THR H H 193 8.209 8.209 8.241 -0.032 25488 9952 1 17 . 1 1 194 194 HIS N N 194 120.231 120.231 121.290 -1.059 25488 9953 1 17 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.493 -0.260 25488 9954 1 17 . 1 1 194 194 HIS H H 194 7.805 7.805 7.756 0.049 25488 9955 1 17 . 1 1 195 195 ALA N N 195 121.346 121.346 123.401 -2.055 25488 9956 1 17 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.074 0.106 25488 9957 1 17 . 1 1 195 195 ALA H H 195 8.693 8.693 7.799 0.894 25488 9958 1 17 . 1 1 196 196 LEU N N 196 114.951 114.951 116.265 -1.314 25488 9959 1 17 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.203 -0.045 25488 9960 1 17 . 1 1 196 196 LEU H H 196 8.714 8.714 7.795 0.919 25488 9961 1 17 . 1 1 197 197 GLY N N 197 107.954 107.954 105.664 2.290 25488 9962 1 17 . 1 1 197 197 GLY H H 197 7.540 7.540 7.744 -0.204 25488 9963 1 17 . 1 1 198 198 HIS N N 198 121.996 121.996 120.655 1.341 25488 9964 1 17 . 1 1 198 198 HIS HA H 198 4.809 4.809 5.023 -0.214 25488 9965 1 17 . 1 1 198 198 HIS H H 198 7.205 7.205 7.620 -0.415 25488 9966 1 17 . 1 1 199 199 SER N N 199 118.570 118.570 116.629 1.941 25488 9967 1 17 . 1 1 199 199 SER HA H 199 4.448 4.448 4.640 -0.192 25488 9968 1 17 . 1 1 199 199 SER H H 199 7.886 7.886 7.959 -0.073 25488 9969 1 17 . 1 1 200 200 LEU N N 200 114.779 114.779 119.300 -4.521 25488 9970 1 17 . 1 1 200 200 LEU H H 200 7.106 7.106 7.458 -0.352 25488 9971 1 17 . 1 1 201 201 GLY N N 201 108.350 108.350 105.378 2.972 25488 9972 1 17 . 1 1 201 201 GLY H H 201 8.213 8.213 8.026 0.187 25488 9973 1 17 . 1 1 202 202 MET N N 202 119.623 119.623 119.686 -0.063 25488 9974 1 17 . 1 1 202 202 MET HA H 202 4.484 4.484 4.702 -0.218 25488 9975 1 17 . 1 1 202 202 MET H H 202 8.189 8.189 8.017 0.172 25488 9976 1 17 . 1 1 203 203 GLY N N 203 109.770 109.770 107.898 1.872 25488 9977 1 17 . 1 1 203 203 GLY H H 203 8.413 8.413 8.291 0.122 25488 9978 1 17 . 1 1 204 204 HIS N N 204 115.793 115.793 117.358 -1.565 25488 9979 1 17 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.909 0.465 25488 9980 1 17 . 1 1 204 204 HIS H H 204 8.383 8.383 8.332 0.051 25488 9981 1 17 . 1 1 205 205 SER N N 205 115.497 115.497 114.911 0.586 25488 9982 1 17 . 1 1 205 205 SER HA H 205 4.721 4.721 4.766 -0.045 25488 9983 1 17 . 1 1 205 205 SER H H 205 7.223 7.223 8.626 -1.403 25488 9984 1 17 . 1 1 206 206 SER N N 206 119.268 119.268 119.220 0.048 25488 9985 1 17 . 1 1 206 206 SER HA H 206 3.721 3.721 4.620 -0.899 25488 9986 1 17 . 1 1 206 206 SER H H 206 8.290 8.290 8.689 -0.399 25488 9987 1 17 . 1 1 207 207 ASP N N 207 126.656 126.656 124.283 2.373 25488 9988 1 17 . 1 1 207 207 ASP H H 207 8.541 8.541 7.679 0.862 25488 9989 1 17 . 1 1 209 209 ASN N N 209 115.911 115.911 115.467 0.444 25488 9990 1 17 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.216 0.400 25488 9991 1 17 . 1 1 209 209 ASN H H 209 8.374 8.374 7.816 0.558 25488 9992 1 17 . 1 1 210 210 ALA N N 210 124.929 124.929 122.255 2.674 25488 9993 1 17 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.405 -0.251 25488 9994 1 17 . 1 1 210 210 ALA H H 210 8.182 8.182 7.476 0.706 25488 9995 1 17 . 1 1 211 211 VAL N N 211 130.383 130.383 122.365 8.018 25488 9996 1 17 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.721 0.529 25488 9997 1 17 . 1 1 211 211 VAL H H 211 11.554 11.554 8.601 2.953 25488 9998 1 17 . 1 1 212 212 MET N N 212 113.319 113.319 115.486 -2.167 25488 9999 1 17 . 1 1 212 212 MET H H 212 7.741 7.741 8.079 -0.338 25488 10000 1 17 . 1 1 213 213 TYR N N 213 130.006 130.006 123.108 6.898 25488 10001 1 17 . 1 1 213 213 TYR H H 213 7.899 7.899 7.682 0.217 25488 10002 1 17 . 1 1 215 215 THR N N 215 104.747 104.747 110.548 -5.801 25488 10003 1 17 . 1 1 215 215 THR HA H 215 4.404 4.404 4.090 0.314 25488 10004 1 17 . 1 1 215 215 THR H H 215 6.402 6.402 7.813 -1.411 25488 10005 1 17 . 1 1 216 216 TYR N N 216 124.699 124.699 122.278 2.421 25488 10006 1 17 . 1 1 216 216 TYR H H 216 8.341 8.341 8.174 0.167 25488 10007 1 17 . 1 1 217 217 GLY N N 217 116.288 116.288 107.800 8.488 25488 10008 1 17 . 1 1 217 217 GLY H H 217 7.685 7.685 7.708 -0.023 25488 10009 1 17 . 1 1 218 218 ASN N N 218 119.920 119.920 115.204 4.716 25488 10010 1 17 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.862 -0.242 25488 10011 1 17 . 1 1 218 218 ASN H H 218 8.221 8.221 8.583 -0.362 25488 10012 1 17 . 1 1 219 219 GLY N N 219 109.601 109.601 107.101 2.500 25488 10013 1 17 . 1 1 219 219 GLY H H 219 8.072 8.072 7.642 0.430 25488 10014 1 17 . 1 1 220 220 ASP N N 220 123.006 123.006 120.339 2.667 25488 10015 1 17 . 1 1 220 220 ASP H H 220 8.280 8.280 8.244 0.036 25488 10016 1 17 . 1 1 222 222 GLN N N 222 116.642 116.642 120.810 -4.168 25488 10017 1 17 . 1 1 222 222 GLN H H 222 8.215 8.215 8.411 -0.196 25488 10018 1 17 . 1 1 223 223 ASN N N 223 118.361 118.361 117.442 0.919 25488 10019 1 17 . 1 1 223 223 ASN H H 223 7.970 7.970 8.021 -0.051 25488 10020 1 17 . 1 1 225 225 LYS N N 225 122.215 122.215 124.196 -1.981 25488 10021 1 17 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.293 0.123 25488 10022 1 17 . 1 1 225 225 LYS H H 225 7.656 7.656 7.340 0.316 25488 10023 1 17 . 1 1 226 226 LEU N N 226 119.165 119.165 120.031 -0.866 25488 10024 1 17 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.495 -0.407 25488 10025 1 17 . 1 1 226 226 LEU H H 226 7.984 7.984 8.111 -0.127 25488 10026 1 17 . 1 1 227 227 SER N N 227 120.520 120.520 115.734 4.786 25488 10027 1 17 . 1 1 227 227 SER HA H 227 4.676 4.676 4.510 0.166 25488 10028 1 17 . 1 1 227 227 SER H H 227 9.646 9.646 8.418 1.228 25488 10029 1 17 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.307 0.367 25488 10030 1 17 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.429 -0.055 25488 10031 1 17 . 1 1 229 229 ASP H H 229 8.113 8.113 8.316 -0.203 25488 10032 1 17 . 1 1 230 230 ASP N N 230 119.878 119.878 120.538 -0.660 25488 10033 1 17 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.511 -0.173 25488 10034 1 17 . 1 1 230 230 ASP H H 230 7.397 7.397 7.849 -0.452 25488 10035 1 17 . 1 1 231 231 ILE N N 231 120.389 120.389 118.985 1.404 25488 10036 1 17 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.712 -0.057 25488 10037 1 17 . 1 1 231 231 ILE H H 231 8.100 8.100 7.706 0.394 25488 10038 1 17 . 1 1 232 232 LYS N N 232 119.084 119.084 120.491 -1.407 25488 10039 1 17 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.029 0.066 25488 10040 1 17 . 1 1 232 232 LYS H H 232 8.581 8.581 7.507 1.074 25488 10041 1 17 . 1 1 233 233 GLY N N 233 106.424 106.424 107.018 -0.594 25488 10042 1 17 . 1 1 233 233 GLY H H 233 8.061 8.061 7.913 0.148 25488 10043 1 17 . 1 1 234 234 ILE N N 234 125.166 125.166 120.271 4.895 25488 10044 1 17 . 1 1 234 234 ILE H H 234 8.517 8.517 7.341 1.176 25488 10045 1 17 . 1 1 235 235 GLN N N 235 122.969 122.969 119.275 3.694 25488 10046 1 17 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.108 0.273 25488 10047 1 17 . 1 1 235 235 GLN H H 235 8.291 8.291 8.313 -0.022 25488 10048 1 17 . 1 1 236 236 LYS N N 236 123.770 123.770 116.576 7.194 25488 10049 1 17 . 1 1 236 236 LYS H H 236 8.035 8.035 7.599 0.436 25488 10050 1 17 . 1 1 237 237 LEU N N 237 116.854 116.854 118.939 -2.085 25488 10051 1 17 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.952 0.007 25488 10052 1 17 . 1 1 237 237 LEU H H 237 6.886 6.886 7.367 -0.481 25488 10053 1 17 . 1 1 238 238 TYR N N 238 112.132 112.132 113.510 -1.378 25488 10054 1 17 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.720 -0.094 25488 10055 1 17 . 1 1 238 238 TYR H H 238 7.459 7.459 7.203 0.256 25488 10056 1 17 . 1 1 239 239 GLY N N 239 110.898 110.898 107.279 3.619 25488 10057 1 17 . 1 1 239 239 GLY H H 239 8.442 8.442 7.874 0.568 25488 10058 1 17 . 1 1 240 240 LYS N N 240 114.400 114.400 120.111 -5.711 25488 10059 1 17 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.296 0.508 25488 10060 1 17 . 1 1 240 240 LYS H H 240 7.865 7.865 8.422 -0.557 25488 10061 1 17 . 1 1 241 241 ARG N N 241 123.851 123.851 122.699 1.152 25488 10062 1 17 . 1 1 241 241 ARG H H 241 7.760 7.760 8.693 -0.933 25488 10063 1 17 . 1 1 242 242 SER N N 242 135.647 135.647 115.683 19.964 25488 10064 1 17 . 1 1 242 242 SER H H 242 9.158 9.158 8.615 0.543 25488 10065 1 18 . 1 1 3 3 GLU N N 3 121.690 121.690 122.686 -0.996 25488 10066 1 18 . 1 1 3 3 GLU H H 3 8.332 8.332 8.659 -0.327 25488 10067 1 18 . 1 1 4 4 ALA N N 4 124.526 124.526 118.137 6.389 25488 10068 1 18 . 1 1 4 4 ALA H H 4 8.111 8.111 7.921 0.190 25488 10069 1 18 . 1 1 5 5 GLY N N 5 108.229 108.229 103.791 4.438 25488 10070 1 18 . 1 1 5 5 GLY H H 5 8.286 8.286 7.794 0.492 25488 10071 1 18 . 1 1 6 6 GLY N N 6 108.867 108.867 108.915 -0.048 25488 10072 1 18 . 1 1 6 6 GLY H H 6 8.239 8.239 7.663 0.576 25488 10073 1 18 . 1 1 7 7 MET N N 7 119.984 119.984 120.309 -0.325 25488 10074 1 18 . 1 1 7 7 MET H H 7 8.044 8.044 7.676 0.368 25488 10075 1 18 . 1 1 8 8 SER N N 8 118.771 118.771 116.760 2.011 25488 10076 1 18 . 1 1 8 8 SER HA H 8 4.239 4.239 4.426 -0.187 25488 10077 1 18 . 1 1 8 8 SER H H 8 8.738 8.738 8.270 0.468 25488 10078 1 18 . 1 1 9 9 GLU N N 9 122.551 122.551 120.334 2.217 25488 10079 1 18 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.337 -0.085 25488 10080 1 18 . 1 1 9 9 GLU H H 9 8.919 8.919 8.892 0.027 25488 10081 1 18 . 1 1 10 10 LEU N N 10 120.638 120.638 118.019 2.619 25488 10082 1 18 . 1 1 10 10 LEU H H 10 8.017 8.017 8.173 -0.156 25488 10083 1 18 . 1 1 11 11 GLN N N 11 119.889 119.889 117.513 2.376 25488 10084 1 18 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.164 -0.030 25488 10085 1 18 . 1 1 11 11 GLN H H 11 7.807 7.807 8.045 -0.238 25488 10086 1 18 . 1 1 12 12 TRP N N 12 120.951 120.951 122.917 -1.966 25488 10087 1 18 . 1 1 12 12 TRP H H 12 8.202 8.202 7.912 0.290 25488 10088 1 18 . 1 1 13 13 GLU N N 13 121.870 121.870 121.521 0.349 25488 10089 1 18 . 1 1 13 13 GLU H H 13 8.436 8.436 8.800 -0.364 25488 10090 1 18 . 1 1 14 14 GLN N N 14 120.646 120.646 117.389 3.257 25488 10091 1 18 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.144 0.025 25488 10092 1 18 . 1 1 14 14 GLN H H 14 8.159 8.159 7.915 0.244 25488 10093 1 18 . 1 1 15 15 ALA N N 15 123.216 123.216 122.116 1.100 25488 10094 1 18 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.026 0.312 25488 10095 1 18 . 1 1 15 15 ALA H H 15 8.355 8.355 7.505 0.850 25488 10096 1 18 . 1 1 16 16 GLN N N 16 117.766 117.766 118.506 -0.740 25488 10097 1 18 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.977 -0.272 25488 10098 1 18 . 1 1 16 16 GLN H H 16 8.440 8.440 8.069 0.371 25488 10099 1 18 . 1 1 17 17 ASP N N 17 120.090 120.090 119.005 1.085 25488 10100 1 18 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.375 0.088 25488 10101 1 18 . 1 1 17 17 ASP H H 17 7.899 7.899 8.011 -0.112 25488 10102 1 18 . 1 1 18 18 TYR N N 18 122.296 122.296 119.555 2.741 25488 10103 1 18 . 1 1 18 18 TYR H H 18 8.264 8.264 7.502 0.762 25488 10104 1 18 . 1 1 19 19 LEU N N 19 117.675 117.675 115.412 2.263 25488 10105 1 18 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.567 0.558 25488 10106 1 18 . 1 1 19 19 LEU H H 19 8.687 8.687 7.568 1.119 25488 10107 1 18 . 1 1 20 20 LYS N N 20 124.620 124.620 118.285 6.335 25488 10108 1 18 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.206 -0.063 25488 10109 1 18 . 1 1 20 20 LYS H H 20 8.790 8.790 7.412 1.378 25488 10110 1 18 . 1 1 21 21 ARG N N 21 117.608 117.608 119.041 -1.433 25488 10111 1 18 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.053 -0.356 25488 10112 1 18 . 1 1 21 21 ARG H H 21 7.835 7.835 7.527 0.308 25488 10113 1 18 . 1 1 22 22 PHE N N 22 112.136 112.136 118.107 -5.971 25488 10114 1 18 . 1 1 22 22 PHE H H 22 8.003 8.003 7.925 0.078 25488 10115 1 18 . 1 1 23 23 TYR N N 23 116.244 116.244 114.422 1.822 25488 10116 1 18 . 1 1 23 23 TYR H H 23 7.678 7.678 7.829 -0.151 25488 10117 1 18 . 1 1 24 24 LEU N N 24 115.582 115.582 118.723 -3.141 25488 10118 1 18 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.155 -0.020 25488 10119 1 18 . 1 1 24 24 LEU H H 24 7.238 7.238 7.679 -0.441 25488 10120 1 18 . 1 1 25 25 TYR N N 25 119.996 119.996 117.700 2.296 25488 10121 1 18 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.775 -0.370 25488 10122 1 18 . 1 1 25 25 TYR H H 25 7.826 7.826 7.556 0.270 25488 10123 1 18 . 1 1 26 26 ASP N N 26 129.292 129.292 124.162 5.130 25488 10124 1 18 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.570 -0.109 25488 10125 1 18 . 1 1 26 26 ASP H H 26 8.121 8.121 8.114 0.007 25488 10126 1 18 . 1 1 28 28 GLU N N 28 122.115 122.115 119.970 2.145 25488 10127 1 18 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.182 0.099 25488 10128 1 18 . 1 1 28 28 GLU H H 28 8.262 8.262 8.325 -0.063 25488 10129 1 18 . 1 1 29 29 THR N N 29 114.171 114.171 113.687 0.484 25488 10130 1 18 . 1 1 29 29 THR HA H 29 4.222 4.222 4.317 -0.095 25488 10131 1 18 . 1 1 29 29 THR H H 29 7.496 7.496 7.366 0.130 25488 10132 1 18 . 1 1 30 30 LYS N N 30 123.019 123.019 122.480 0.539 25488 10133 1 18 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.362 -0.144 25488 10134 1 18 . 1 1 30 30 LYS H H 30 8.154 8.154 7.396 0.758 25488 10135 1 18 . 1 1 32 32 ALA N N 32 126.481 126.481 127.705 -1.224 25488 10136 1 18 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.802 0.448 25488 10137 1 18 . 1 1 32 32 ALA H H 32 8.424 8.424 8.689 -0.265 25488 10138 1 18 . 1 1 33 33 ASN N N 33 116.834 116.834 115.615 1.219 25488 10139 1 18 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.455 0.243 25488 10140 1 18 . 1 1 33 33 ASN H H 33 8.312 8.312 8.372 -0.060 25488 10141 1 18 . 1 1 34 34 SER N N 34 116.960 116.960 116.595 0.365 25488 10142 1 18 . 1 1 34 34 SER HA H 34 4.522 4.522 4.168 0.354 25488 10143 1 18 . 1 1 34 34 SER H H 34 8.112 8.112 7.984 0.128 25488 10144 1 18 . 1 1 35 35 LEU N N 35 125.335 125.335 122.769 2.566 25488 10145 1 18 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.032 -0.481 25488 10146 1 18 . 1 1 35 35 LEU H H 35 8.324 8.324 8.391 -0.067 25488 10147 1 18 . 1 1 36 36 GLU N N 36 119.302 119.302 118.903 0.399 25488 10148 1 18 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.952 -0.009 25488 10149 1 18 . 1 1 36 36 GLU H H 36 8.239 8.239 7.468 0.771 25488 10150 1 18 . 1 1 37 37 ALA N N 37 120.683 120.683 121.740 -1.057 25488 10151 1 18 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.043 0.004 25488 10152 1 18 . 1 1 37 37 ALA H H 37 7.898 7.898 7.459 0.439 25488 10153 1 18 . 1 1 38 38 LYS N N 38 119.470 119.470 119.032 0.438 25488 10154 1 18 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.072 0.261 25488 10155 1 18 . 1 1 38 38 LYS H H 38 8.217 8.217 7.840 0.377 25488 10156 1 18 . 1 1 39 39 LEU N N 39 122.664 122.664 120.580 2.084 25488 10157 1 18 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.923 -0.009 25488 10158 1 18 . 1 1 39 39 LEU H H 39 8.658 8.658 8.407 0.251 25488 10159 1 18 . 1 1 40 40 LYS N N 40 118.301 118.301 119.515 -1.214 25488 10160 1 18 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.970 0.703 25488 10161 1 18 . 1 1 40 40 LYS H H 40 8.221 8.221 7.691 0.530 25488 10162 1 18 . 1 1 41 41 GLU N N 41 121.462 121.462 119.138 2.324 25488 10163 1 18 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.218 -0.150 25488 10164 1 18 . 1 1 41 41 GLU H H 41 7.736 7.736 7.719 0.017 25488 10165 1 18 . 1 1 42 42 MET N N 42 123.761 123.761 119.900 3.861 25488 10166 1 18 . 1 1 42 42 MET HA H 42 4.046 4.046 4.190 -0.144 25488 10167 1 18 . 1 1 42 42 MET H H 42 7.672 7.672 8.427 -0.755 25488 10168 1 18 . 1 1 43 43 GLN N N 43 120.035 120.035 117.471 2.564 25488 10169 1 18 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.086 -0.290 25488 10170 1 18 . 1 1 43 43 GLN H H 43 8.904 8.904 8.772 0.132 25488 10171 1 18 . 1 1 44 44 LYS N N 44 119.131 119.131 120.675 -1.544 25488 10172 1 18 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.191 -0.139 25488 10173 1 18 . 1 1 44 44 LYS H H 44 8.511 8.511 7.566 0.945 25488 10174 1 18 . 1 1 45 45 PHE N N 45 123.544 123.544 120.318 3.226 25488 10175 1 18 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.264 -0.414 25488 10176 1 18 . 1 1 45 45 PHE H H 45 8.438 8.438 7.891 0.547 25488 10177 1 18 . 1 1 46 46 PHE N N 46 112.789 112.789 116.089 -3.300 25488 10178 1 18 . 1 1 46 46 PHE HA H 46 4.582 4.582 3.931 0.651 25488 10179 1 18 . 1 1 46 46 PHE H H 46 8.273 8.273 7.765 0.508 25488 10180 1 18 . 1 1 47 47 GLY N N 47 110.408 110.408 106.683 3.725 25488 10181 1 18 . 1 1 47 47 GLY H H 47 7.922 7.922 7.571 0.351 25488 10182 1 18 . 1 1 48 48 LEU N N 48 121.853 121.853 122.581 -0.728 25488 10183 1 18 . 1 1 48 48 LEU H H 48 8.747 8.747 8.302 0.445 25488 10184 1 18 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.363 -0.162 25488 10185 1 18 . 1 1 50 50 ILE N N 50 127.000 127.000 121.749 5.251 25488 10186 1 18 . 1 1 50 50 ILE H H 50 8.529 8.529 7.779 0.750 25488 10187 1 18 . 1 1 51 51 THR N N 51 116.519 116.519 116.639 -0.120 25488 10188 1 18 . 1 1 51 51 THR H H 51 7.980 7.980 8.200 -0.220 25488 10189 1 18 . 1 1 52 52 GLY N N 52 112.725 112.725 113.860 -1.135 25488 10190 1 18 . 1 1 52 52 GLY H H 52 9.483 9.483 9.801 -0.318 25488 10191 1 18 . 1 1 53 53 MET N N 53 116.735 116.735 119.954 -3.219 25488 10192 1 18 . 1 1 53 53 MET HA H 53 4.044 4.044 4.664 -0.620 25488 10193 1 18 . 1 1 53 53 MET H H 53 7.969 7.969 7.946 0.023 25488 10194 1 18 . 1 1 54 54 LEU N N 54 122.602 122.602 128.264 -5.662 25488 10195 1 18 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.416 -0.710 25488 10196 1 18 . 1 1 54 54 LEU H H 54 7.926 7.926 8.598 -0.672 25488 10197 1 18 . 1 1 55 55 ASN N N 55 115.755 115.755 119.667 -3.912 25488 10198 1 18 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.966 -0.226 25488 10199 1 18 . 1 1 55 55 ASN H H 55 6.555 6.555 8.351 -1.796 25488 10200 1 18 . 1 1 56 56 SER N N 56 121.450 121.450 116.950 4.500 25488 10201 1 18 . 1 1 56 56 SER HA H 56 4.662 4.662 3.886 0.776 25488 10202 1 18 . 1 1 56 56 SER H H 56 8.205 8.205 8.737 -0.532 25488 10203 1 18 . 1 1 57 57 ARG N N 57 123.219 123.219 122.263 0.956 25488 10204 1 18 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.009 0.197 25488 10205 1 18 . 1 1 57 57 ARG H H 57 7.883 7.883 7.597 0.286 25488 10206 1 18 . 1 1 58 58 VAL N N 58 118.843 118.843 119.368 -0.525 25488 10207 1 18 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.475 -0.175 25488 10208 1 18 . 1 1 58 58 VAL H H 58 7.594 7.594 7.611 -0.017 25488 10209 1 18 . 1 1 59 59 ILE N N 59 119.212 119.212 116.339 2.873 25488 10210 1 18 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.468 0.001 25488 10211 1 18 . 1 1 59 59 ILE H H 59 7.326 7.326 7.045 0.281 25488 10212 1 18 . 1 1 60 60 GLU N N 60 119.544 119.544 120.667 -1.123 25488 10213 1 18 . 1 1 60 60 GLU H H 60 7.880 7.880 7.535 0.345 25488 10214 1 18 . 1 1 61 61 ILE N N 61 118.812 118.812 116.577 2.235 25488 10215 1 18 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.426 0.016 25488 10216 1 18 . 1 1 61 61 ILE H H 61 7.217 7.217 7.287 -0.070 25488 10217 1 18 . 1 1 62 62 MET N N 62 120.202 120.202 116.983 3.219 25488 10218 1 18 . 1 1 62 62 MET HA H 62 3.419 3.419 4.033 -0.614 25488 10219 1 18 . 1 1 62 62 MET H H 62 7.820 7.820 7.521 0.299 25488 10220 1 18 . 1 1 63 63 GLN N N 63 116.274 116.274 113.630 2.644 25488 10221 1 18 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.021 0.220 25488 10222 1 18 . 1 1 63 63 GLN H H 63 7.442 7.442 7.376 0.066 25488 10223 1 18 . 1 1 64 64 LYS N N 64 121.450 121.450 121.056 0.394 25488 10224 1 18 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.210 0.289 25488 10225 1 18 . 1 1 64 64 LYS H H 64 7.474 7.474 7.191 0.283 25488 10226 1 18 . 1 1 66 66 ARG N N 66 113.173 113.173 121.910 -8.737 25488 10227 1 18 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.698 -0.259 25488 10228 1 18 . 1 1 66 66 ARG H H 66 8.151 8.151 8.167 -0.016 25488 10229 1 18 . 1 1 67 67 CYS N N 67 121.794 121.794 120.600 1.194 25488 10230 1 18 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.325 0.095 25488 10231 1 18 . 1 1 67 67 CYS H H 67 7.709 7.709 8.771 -1.062 25488 10232 1 18 . 1 1 68 68 GLY N N 68 116.255 116.255 111.303 4.952 25488 10233 1 18 . 1 1 68 68 GLY H H 68 9.707 9.707 8.360 1.347 25488 10234 1 18 . 1 1 69 69 VAL N N 69 126.541 126.541 114.694 11.847 25488 10235 1 18 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.587 -0.780 25488 10236 1 18 . 1 1 69 69 VAL H H 69 9.118 9.118 6.872 2.246 25488 10237 1 18 . 1 1 71 71 ASP N N 71 119.114 119.114 123.992 -4.878 25488 10238 1 18 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.541 -0.058 25488 10239 1 18 . 1 1 71 71 ASP H H 71 8.067 8.067 8.372 -0.305 25488 10240 1 18 . 1 1 72 72 VAL N N 72 112.988 112.988 117.732 -4.744 25488 10241 1 18 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.248 0.033 25488 10242 1 18 . 1 1 72 72 VAL H H 72 6.438 6.438 7.436 -0.998 25488 10243 1 18 . 1 1 73 73 ALA N N 73 125.902 125.902 127.125 -1.223 25488 10244 1 18 . 1 1 73 73 ALA HA H 73 4.267 4.267 3.957 0.310 25488 10245 1 18 . 1 1 73 73 ALA H H 73 8.171 8.171 8.443 -0.272 25488 10246 1 18 . 1 1 74 74 GLU N N 74 120.835 120.835 124.878 -4.043 25488 10247 1 18 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.589 -0.506 25488 10248 1 18 . 1 1 74 74 GLU H H 74 8.385 8.385 7.894 0.490 25488 10249 1 18 . 1 1 75 75 TYR N N 75 121.820 121.820 119.297 2.523 25488 10250 1 18 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.254 0.140 25488 10251 1 18 . 1 1 75 75 TYR H H 75 8.102 8.102 8.713 -0.611 25488 10252 1 18 . 1 1 76 76 SER N N 76 117.881 117.881 118.903 -1.022 25488 10253 1 18 . 1 1 76 76 SER H H 76 7.718 7.718 8.554 -0.836 25488 10254 1 18 . 1 1 77 77 LEU N N 77 123.835 123.835 119.903 3.932 25488 10255 1 18 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.421 -0.329 25488 10256 1 18 . 1 1 77 77 LEU H H 77 8.033 8.033 7.509 0.524 25488 10257 1 18 . 1 1 78 78 PHE N N 78 118.893 118.893 116.487 2.406 25488 10258 1 18 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.000 -0.155 25488 10259 1 18 . 1 1 78 78 PHE H H 78 7.822 7.822 7.065 0.757 25488 10260 1 18 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.373 -0.042 25488 10261 1 18 . 1 1 80 80 ASN N N 80 118.184 118.184 122.811 -4.627 25488 10262 1 18 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.788 -0.108 25488 10263 1 18 . 1 1 80 80 ASN H H 80 8.106 8.106 8.562 -0.456 25488 10264 1 18 . 1 1 81 81 SER HA H 81 4.636 4.636 4.327 0.309 25488 10265 1 18 . 1 1 83 83 LYS N N 83 114.696 114.696 116.197 -1.501 25488 10266 1 18 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.478 -0.255 25488 10267 1 18 . 1 1 83 83 LYS H H 83 7.361 7.361 8.272 -0.911 25488 10268 1 18 . 1 1 84 84 TRP N N 84 122.459 122.459 120.422 2.037 25488 10269 1 18 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.945 -0.942 25488 10270 1 18 . 1 1 84 84 TRP H H 84 8.020 8.020 8.952 -0.932 25488 10271 1 18 . 1 1 85 85 THR N N 85 113.482 113.482 117.307 -3.825 25488 10272 1 18 . 1 1 85 85 THR HA H 85 4.586 4.586 4.500 0.086 25488 10273 1 18 . 1 1 85 85 THR H H 85 8.833 8.833 9.075 -0.242 25488 10274 1 18 . 1 1 86 86 SER N N 86 117.316 117.316 114.880 2.436 25488 10275 1 18 . 1 1 86 86 SER HA H 86 4.665 4.665 4.767 -0.102 25488 10276 1 18 . 1 1 86 86 SER H H 86 7.724 7.724 7.923 -0.199 25488 10277 1 18 . 1 1 87 87 LYS N N 87 120.411 120.411 119.447 0.964 25488 10278 1 18 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.367 -0.228 25488 10279 1 18 . 1 1 87 87 LYS H H 87 8.312 8.312 8.501 -0.189 25488 10280 1 18 . 1 1 88 88 VAL N N 88 117.674 117.674 119.957 -2.283 25488 10281 1 18 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.066 0.585 25488 10282 1 18 . 1 1 88 88 VAL H H 88 7.425 7.425 7.202 0.223 25488 10283 1 18 . 1 1 89 89 VAL N N 89 131.493 131.493 125.217 6.276 25488 10284 1 18 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.204 -0.063 25488 10285 1 18 . 1 1 89 89 VAL H H 89 8.574 8.574 8.210 0.364 25488 10286 1 18 . 1 1 90 90 THR N N 90 118.245 118.245 111.678 6.567 25488 10287 1 18 . 1 1 90 90 THR HA H 90 5.627 5.627 5.461 0.166 25488 10288 1 18 . 1 1 90 90 THR H H 90 9.021 9.021 8.022 0.999 25488 10289 1 18 . 1 1 91 91 TYR N N 91 118.267 118.267 116.923 1.344 25488 10290 1 18 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.716 -0.042 25488 10291 1 18 . 1 1 91 91 TYR H H 91 8.555 8.555 8.690 -0.135 25488 10292 1 18 . 1 1 92 92 ARG N N 92 120.260 120.260 120.763 -0.503 25488 10293 1 18 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.944 -0.298 25488 10294 1 18 . 1 1 92 92 ARG H H 92 8.513 8.513 8.142 0.371 25488 10295 1 18 . 1 1 93 93 ILE N N 93 128.361 128.361 127.447 0.914 25488 10296 1 18 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.310 0.309 25488 10297 1 18 . 1 1 93 93 ILE H H 93 8.878 8.878 8.860 0.018 25488 10298 1 18 . 1 1 94 94 VAL N N 94 126.374 126.374 128.270 -1.896 25488 10299 1 18 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.057 -0.057 25488 10300 1 18 . 1 1 94 94 VAL H H 94 9.492 9.492 8.945 0.547 25488 10301 1 18 . 1 1 95 95 SER N N 95 113.303 113.303 114.157 -0.854 25488 10302 1 18 . 1 1 95 95 SER HA H 95 4.705 4.705 4.724 -0.019 25488 10303 1 18 . 1 1 95 95 SER H H 95 7.431 7.431 7.753 -0.322 25488 10304 1 18 . 1 1 96 96 TYR N N 96 117.054 117.054 119.038 -1.984 25488 10305 1 18 . 1 1 96 96 TYR H H 96 8.255 8.255 7.865 0.390 25488 10306 1 18 . 1 1 98 98 ARG N N 98 128.445 128.445 125.896 2.549 25488 10307 1 18 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.166 0.172 25488 10308 1 18 . 1 1 98 98 ARG H H 98 8.964 8.964 8.538 0.426 25488 10309 1 18 . 1 1 99 99 ASP N N 99 120.412 120.412 118.789 1.623 25488 10310 1 18 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.563 -0.228 25488 10311 1 18 . 1 1 99 99 ASP H H 99 8.695 8.695 8.366 0.329 25488 10312 1 18 . 1 1 100 100 LEU N N 100 116.851 116.851 119.658 -2.807 25488 10313 1 18 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.697 0.236 25488 10314 1 18 . 1 1 100 100 LEU H H 100 6.902 6.902 7.304 -0.402 25488 10315 1 18 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.043 0.124 25488 10316 1 18 . 1 1 103 103 ILE N N 103 115.469 115.469 113.709 1.760 25488 10317 1 18 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.821 0.352 25488 10318 1 18 . 1 1 103 103 ILE H H 103 8.296 8.296 8.102 0.194 25488 10319 1 18 . 1 1 104 104 THR N N 104 119.413 119.413 116.377 3.036 25488 10320 1 18 . 1 1 104 104 THR HA H 104 4.019 4.019 4.030 -0.011 25488 10321 1 18 . 1 1 104 104 THR H H 104 6.915 6.915 7.715 -0.800 25488 10322 1 18 . 1 1 105 105 VAL N N 105 123.232 123.232 121.353 1.879 25488 10323 1 18 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.301 0.113 25488 10324 1 18 . 1 1 105 105 VAL H H 105 7.379 7.379 6.932 0.447 25488 10325 1 18 . 1 1 106 106 ASP N N 106 120.160 120.160 120.061 0.099 25488 10326 1 18 . 1 1 106 106 ASP H H 106 8.615 8.615 8.458 0.157 25488 10327 1 18 . 1 1 107 107 ARG N N 107 121.041 121.041 117.611 3.430 25488 10328 1 18 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.199 -0.109 25488 10329 1 18 . 1 1 107 107 ARG H H 107 8.372 8.372 7.980 0.392 25488 10330 1 18 . 1 1 108 108 LEU N N 108 121.644 121.644 119.387 2.257 25488 10331 1 18 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.250 0.003 25488 10332 1 18 . 1 1 108 108 LEU H H 108 8.768 8.768 7.657 1.111 25488 10333 1 18 . 1 1 109 109 VAL N N 109 120.347 120.347 117.451 2.896 25488 10334 1 18 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.524 -0.153 25488 10335 1 18 . 1 1 109 109 VAL H H 109 8.762 8.762 7.839 0.923 25488 10336 1 18 . 1 1 110 110 SER N N 110 112.949 112.949 116.557 -3.608 25488 10337 1 18 . 1 1 110 110 SER HA H 110 4.270 4.270 3.798 0.472 25488 10338 1 18 . 1 1 110 110 SER H H 110 7.605 7.605 7.581 0.024 25488 10339 1 18 . 1 1 111 111 LYS N N 111 122.434 122.434 122.452 -0.018 25488 10340 1 18 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.975 0.067 25488 10341 1 18 . 1 1 111 111 LYS H H 111 8.146 8.146 7.940 0.206 25488 10342 1 18 . 1 1 112 112 ALA N N 112 124.099 124.099 121.471 2.628 25488 10343 1 18 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.025 0.052 25488 10344 1 18 . 1 1 112 112 ALA H H 112 8.270 8.270 8.097 0.173 25488 10345 1 18 . 1 1 113 113 LEU N N 113 116.251 116.251 118.527 -2.276 25488 10346 1 18 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.774 -0.052 25488 10347 1 18 . 1 1 113 113 LEU H H 113 8.019 8.019 7.440 0.579 25488 10348 1 18 . 1 1 114 114 ASN N N 114 116.659 116.659 117.010 -0.351 25488 10349 1 18 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.482 0.047 25488 10350 1 18 . 1 1 114 114 ASN H H 114 8.197 8.197 7.993 0.204 25488 10351 1 18 . 1 1 115 115 MET N N 115 122.118 122.118 119.658 2.460 25488 10352 1 18 . 1 1 115 115 MET HA H 115 4.013 4.013 3.910 0.103 25488 10353 1 18 . 1 1 115 115 MET H H 115 7.918 7.918 7.627 0.291 25488 10354 1 18 . 1 1 116 116 TRP N N 116 117.117 117.117 117.750 -0.633 25488 10355 1 18 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.449 0.061 25488 10356 1 18 . 1 1 116 116 TRP H H 116 6.773 6.773 7.518 -0.745 25488 10357 1 18 . 1 1 117 117 GLY N N 117 104.656 104.656 104.180 0.476 25488 10358 1 18 . 1 1 117 117 GLY H H 117 9.305 9.305 8.065 1.240 25488 10359 1 18 . 1 1 118 118 LYS N N 118 118.567 118.567 119.297 -0.730 25488 10360 1 18 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.235 -0.058 25488 10361 1 18 . 1 1 118 118 LYS H H 118 7.947 7.947 7.365 0.582 25488 10362 1 18 . 1 1 119 119 GLU N N 119 113.899 113.899 117.075 -3.176 25488 10363 1 18 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.454 0.354 25488 10364 1 18 . 1 1 119 119 GLU H H 119 7.773 7.773 7.694 0.079 25488 10365 1 18 . 1 1 120 120 ILE N N 120 111.215 111.215 114.699 -3.484 25488 10366 1 18 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.717 0.604 25488 10367 1 18 . 1 1 120 120 ILE H H 120 7.528 7.528 7.738 -0.210 25488 10368 1 18 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.410 0.211 25488 10369 1 18 . 1 1 122 122 LEU N N 122 121.481 121.481 121.433 0.048 25488 10370 1 18 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.504 -0.212 25488 10371 1 18 . 1 1 122 122 LEU H H 122 6.815 6.815 7.399 -0.584 25488 10372 1 18 . 1 1 123 123 HIS N N 123 120.769 120.769 117.731 3.038 25488 10373 1 18 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.581 0.011 25488 10374 1 18 . 1 1 123 123 HIS H H 123 7.709 7.709 8.090 -0.381 25488 10375 1 18 . 1 1 124 124 PHE N N 124 120.530 120.530 119.538 0.992 25488 10376 1 18 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.308 0.504 25488 10377 1 18 . 1 1 124 124 PHE H H 124 8.306 8.306 8.534 -0.228 25488 10378 1 18 . 1 1 125 125 ARG N N 125 123.891 123.891 124.633 -0.742 25488 10379 1 18 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.763 -0.110 25488 10380 1 18 . 1 1 125 125 ARG H H 125 8.408 8.408 8.730 -0.322 25488 10381 1 18 . 1 1 126 126 LYS N N 126 130.178 130.178 123.953 6.225 25488 10382 1 18 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.403 -0.042 25488 10383 1 18 . 1 1 126 126 LYS H H 126 8.468 8.468 8.434 0.034 25488 10384 1 18 . 1 1 127 127 VAL N N 127 125.180 125.180 127.128 -1.948 25488 10385 1 18 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.211 0.297 25488 10386 1 18 . 1 1 127 127 VAL H H 127 8.679 8.679 8.526 0.153 25488 10387 1 18 . 1 1 128 128 VAL N N 128 117.584 117.584 122.491 -4.907 25488 10388 1 18 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.182 0.104 25488 10389 1 18 . 1 1 128 128 VAL H H 128 8.469 8.469 8.280 0.189 25488 10390 1 18 . 1 1 129 129 TRP N N 129 119.805 119.805 118.655 1.150 25488 10391 1 18 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.839 -0.153 25488 10392 1 18 . 1 1 129 129 TRP H H 129 7.447 7.447 7.929 -0.482 25488 10393 1 18 . 1 1 130 130 GLY N N 130 109.844 109.844 110.866 -1.022 25488 10394 1 18 . 1 1 130 130 GLY H H 130 8.072 8.072 8.243 -0.171 25488 10395 1 18 . 1 1 131 131 THR N N 131 116.125 116.125 111.333 4.792 25488 10396 1 18 . 1 1 131 131 THR HA H 131 4.123 4.123 4.559 -0.436 25488 10397 1 18 . 1 1 131 131 THR H H 131 8.196 8.196 8.061 0.135 25488 10398 1 18 . 1 1 132 132 ALA N N 132 129.613 129.613 125.615 3.998 25488 10399 1 18 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.572 -0.061 25488 10400 1 18 . 1 1 132 132 ALA H H 132 7.919 7.919 8.072 -0.153 25488 10401 1 18 . 1 1 133 133 ASP N N 133 123.004 123.004 119.468 3.536 25488 10402 1 18 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.915 -0.473 25488 10403 1 18 . 1 1 133 133 ASP H H 133 8.248 8.248 8.204 0.044 25488 10404 1 18 . 1 1 134 134 ILE N N 134 125.478 125.478 122.627 2.851 25488 10405 1 18 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.304 -0.211 25488 10406 1 18 . 1 1 134 134 ILE H H 134 8.804 8.804 7.945 0.859 25488 10407 1 18 . 1 1 135 135 MET N N 135 127.471 127.471 127.528 -0.057 25488 10408 1 18 . 1 1 135 135 MET HA H 135 5.194 5.194 5.058 0.136 25488 10409 1 18 . 1 1 135 135 MET H H 135 7.437 7.437 8.947 -1.510 25488 10410 1 18 . 1 1 136 136 ILE N N 136 125.040 125.040 125.472 -0.432 25488 10411 1 18 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.905 0.672 25488 10412 1 18 . 1 1 136 136 ILE H H 136 9.085 9.085 8.637 0.448 25488 10413 1 18 . 1 1 137 137 GLY N N 137 112.059 112.059 114.281 -2.222 25488 10414 1 18 . 1 1 137 137 GLY H H 137 8.568 8.568 8.565 0.003 25488 10415 1 18 . 1 1 138 138 PHE N N 138 119.447 119.447 121.412 -1.965 25488 10416 1 18 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.486 -0.032 25488 10417 1 18 . 1 1 138 138 PHE H H 138 7.861 7.861 8.248 -0.387 25488 10418 1 18 . 1 1 139 139 ALA N N 139 123.657 123.657 126.943 -3.286 25488 10419 1 18 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.752 -0.017 25488 10420 1 18 . 1 1 139 139 ALA H H 139 8.939 8.939 8.965 -0.026 25488 10421 1 18 . 1 1 140 140 ARG N N 140 118.688 118.688 120.812 -2.124 25488 10422 1 18 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.507 0.567 25488 10423 1 18 . 1 1 140 140 ARG H H 140 8.563 8.563 8.494 0.069 25488 10424 1 18 . 1 1 141 141 GLY N N 141 108.964 108.964 108.072 0.892 25488 10425 1 18 . 1 1 141 141 GLY H H 141 9.018 9.018 9.142 -0.124 25488 10426 1 18 . 1 1 143 143 HIS N N 143 120.218 120.218 116.543 3.675 25488 10427 1 18 . 1 1 143 143 HIS H H 143 8.998 8.998 8.340 0.658 25488 10428 1 18 . 1 1 145 145 ASP N N 145 117.684 117.684 120.829 -3.145 25488 10429 1 18 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.975 -0.275 25488 10430 1 18 . 1 1 145 145 ASP H H 145 7.088 7.088 7.875 -0.787 25488 10431 1 18 . 1 1 146 146 SER HA H 146 4.140 4.140 4.456 -0.316 25488 10432 1 18 . 1 1 146 146 SER H H 146 8.220 8.220 8.502 -0.282 25488 10433 1 18 . 1 1 147 147 TYR N N 147 120.867 120.867 117.937 2.930 25488 10434 1 18 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.243 0.545 25488 10435 1 18 . 1 1 147 147 TYR H H 147 7.459 7.459 8.047 -0.588 25488 10436 1 18 . 1 1 149 149 PHE N N 149 120.630 120.630 116.763 3.867 25488 10437 1 18 . 1 1 149 149 PHE H H 149 8.018 8.018 8.156 -0.138 25488 10438 1 18 . 1 1 150 150 ASP N N 150 115.626 115.626 118.267 -2.641 25488 10439 1 18 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.283 0.560 25488 10440 1 18 . 1 1 150 150 ASP H H 150 7.543 7.543 7.961 -0.418 25488 10441 1 18 . 1 1 151 151 GLY N N 151 110.700 110.700 109.655 1.045 25488 10442 1 18 . 1 1 151 151 GLY H H 151 9.074 9.074 8.031 1.043 25488 10443 1 18 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.480 -0.454 25488 10444 1 18 . 1 1 153 153 GLY N N 153 118.786 118.786 114.493 4.293 25488 10445 1 18 . 1 1 153 153 GLY H H 153 11.385 11.385 8.729 2.656 25488 10446 1 18 . 1 1 154 154 ASN N N 154 120.613 120.613 118.494 2.119 25488 10447 1 18 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.345 -0.147 25488 10448 1 18 . 1 1 154 154 ASN H H 154 9.225 9.225 8.581 0.644 25488 10449 1 18 . 1 1 155 155 THR N N 155 118.700 118.700 111.764 6.936 25488 10450 1 18 . 1 1 155 155 THR HA H 155 5.542 5.542 4.219 1.323 25488 10451 1 18 . 1 1 155 155 THR H H 155 9.519 9.519 8.271 1.248 25488 10452 1 18 . 1 1 156 156 LEU N N 156 122.765 122.765 115.429 7.336 25488 10453 1 18 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.822 0.120 25488 10454 1 18 . 1 1 156 156 LEU H H 156 8.500 8.500 8.105 0.395 25488 10455 1 18 . 1 1 157 157 ALA N N 157 115.545 115.545 119.764 -4.219 25488 10456 1 18 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.756 0.251 25488 10457 1 18 . 1 1 157 157 ALA H H 157 7.545 7.545 7.373 0.172 25488 10458 1 18 . 1 1 158 158 HIS N N 158 111.868 111.868 115.293 -3.425 25488 10459 1 18 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.820 -0.203 25488 10460 1 18 . 1 1 158 158 HIS H H 158 8.774 8.774 7.869 0.905 25488 10461 1 18 . 1 1 159 159 ALA N N 159 118.565 118.565 125.264 -6.699 25488 10462 1 18 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.660 -0.003 25488 10463 1 18 . 1 1 159 159 ALA H H 159 6.114 6.114 8.220 -2.106 25488 10464 1 18 . 1 1 160 160 PHE N N 160 118.042 118.042 121.047 -3.005 25488 10465 1 18 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.720 -0.239 25488 10466 1 18 . 1 1 160 160 PHE H H 160 7.897 7.897 8.733 -0.836 25488 10467 1 18 . 1 1 161 161 ALA N N 161 123.548 123.548 123.842 -0.294 25488 10468 1 18 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.505 -0.022 25488 10469 1 18 . 1 1 161 161 ALA H H 161 8.089 8.089 8.424 -0.335 25488 10470 1 18 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.999 -1.128 25488 10471 1 18 . 1 1 163 163 GLY N N 163 107.255 107.255 109.380 -2.125 25488 10472 1 18 . 1 1 163 163 GLY H H 163 5.992 5.992 7.472 -1.480 25488 10473 1 18 . 1 1 165 165 GLY H H 165 9.149 9.149 7.899 1.250 25488 10474 1 18 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.280 -0.127 25488 10475 1 18 . 1 1 167 167 GLY N N 167 103.338 103.338 102.912 0.426 25488 10476 1 18 . 1 1 167 167 GLY H H 167 7.774 7.774 7.385 0.389 25488 10477 1 18 . 1 1 168 168 GLY N N 168 121.031 121.031 106.607 14.424 25488 10478 1 18 . 1 1 168 168 GLY H H 168 7.685 7.685 8.096 -0.411 25488 10479 1 18 . 1 1 169 169 ASP N N 169 123.703 123.703 122.763 0.940 25488 10480 1 18 . 1 1 169 169 ASP H H 169 8.578 8.578 7.812 0.766 25488 10481 1 18 . 1 1 170 170 ALA N N 170 119.569 119.569 121.078 -1.509 25488 10482 1 18 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.773 -0.069 25488 10483 1 18 . 1 1 170 170 ALA H H 170 8.371 8.371 8.591 -0.220 25488 10484 1 18 . 1 1 171 171 HIS N N 171 120.286 120.286 121.284 -0.998 25488 10485 1 18 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.162 0.568 25488 10486 1 18 . 1 1 171 171 HIS H H 171 8.513 8.513 8.430 0.083 25488 10487 1 18 . 1 1 172 172 PHE N N 172 120.919 120.919 122.256 -1.337 25488 10488 1 18 . 1 1 172 172 PHE H H 172 8.457 8.457 8.966 -0.509 25488 10489 1 18 . 1 1 173 173 ASP N N 173 123.993 123.993 122.526 1.467 25488 10490 1 18 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.193 -1.297 25488 10491 1 18 . 1 1 173 173 ASP H H 173 7.915 7.915 8.712 -0.797 25488 10492 1 18 . 1 1 174 174 GLU N N 174 132.684 132.684 127.376 5.308 25488 10493 1 18 . 1 1 174 174 GLU H H 174 9.461 9.461 8.431 1.030 25488 10494 1 18 . 1 1 175 175 ASP N N 175 117.313 117.313 117.519 -0.206 25488 10495 1 18 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.845 -0.048 25488 10496 1 18 . 1 1 175 175 ASP H H 175 8.756 8.756 8.246 0.510 25488 10497 1 18 . 1 1 176 176 GLU N N 176 116.511 116.511 119.659 -3.148 25488 10498 1 18 . 1 1 176 176 GLU H H 176 7.154 7.154 7.284 -0.130 25488 10499 1 18 . 1 1 177 177 ARG N N 177 121.920 121.920 126.783 -4.863 25488 10500 1 18 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.412 0.213 25488 10501 1 18 . 1 1 177 177 ARG H H 177 7.555 7.555 8.489 -0.934 25488 10502 1 18 . 1 1 178 178 TRP N N 178 129.182 129.182 125.610 3.572 25488 10503 1 18 . 1 1 178 178 TRP HA H 178 5.113 5.113 4.973 0.140 25488 10504 1 18 . 1 1 178 178 TRP H H 178 8.788 8.788 7.938 0.850 25488 10505 1 18 . 1 1 179 179 THR N N 179 112.874 112.874 113.195 -0.321 25488 10506 1 18 . 1 1 179 179 THR HA H 179 5.015 5.015 4.766 0.248 25488 10507 1 18 . 1 1 179 179 THR H H 179 8.946 8.946 8.840 0.106 25488 10508 1 18 . 1 1 180 180 ASP N N 180 121.969 121.969 123.024 -1.055 25488 10509 1 18 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.828 -0.406 25488 10510 1 18 . 1 1 180 180 ASP H H 180 8.478 8.478 8.563 -0.085 25488 10511 1 18 . 1 1 181 181 GLY N N 181 110.059 110.059 108.816 1.243 25488 10512 1 18 . 1 1 181 181 GLY H H 181 8.572 8.572 8.441 0.131 25488 10513 1 18 . 1 1 182 182 SER N N 182 115.564 115.564 115.803 -0.239 25488 10514 1 18 . 1 1 182 182 SER HA H 182 4.599 4.599 4.462 0.137 25488 10515 1 18 . 1 1 182 182 SER H H 182 8.173 8.173 7.826 0.347 25488 10516 1 18 . 1 1 183 183 SER N N 183 117.066 117.066 115.926 1.140 25488 10517 1 18 . 1 1 183 183 SER H H 183 7.819 7.819 8.742 -0.923 25488 10518 1 18 . 1 1 184 184 LEU N N 184 121.954 121.954 119.788 2.166 25488 10519 1 18 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.331 0.031 25488 10520 1 18 . 1 1 184 184 LEU H H 184 8.104 8.104 7.473 0.631 25488 10521 1 18 . 1 1 185 185 GLY N N 185 108.989 108.989 105.581 3.408 25488 10522 1 18 . 1 1 185 185 GLY H H 185 7.954 7.954 7.568 0.386 25488 10523 1 18 . 1 1 186 186 ILE N N 186 123.084 123.084 118.933 4.151 25488 10524 1 18 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.312 -0.533 25488 10525 1 18 . 1 1 186 186 ILE H H 186 8.878 8.878 8.151 0.727 25488 10526 1 18 . 1 1 187 187 ASN N N 187 126.999 126.999 124.813 2.186 25488 10527 1 18 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.704 -0.308 25488 10528 1 18 . 1 1 187 187 ASN H H 187 8.575 8.575 8.776 -0.201 25488 10529 1 18 . 1 1 188 188 PHE N N 188 129.819 129.819 127.210 2.609 25488 10530 1 18 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.654 -0.063 25488 10531 1 18 . 1 1 188 188 PHE H H 188 9.365 9.365 8.533 0.832 25488 10532 1 18 . 1 1 189 189 LEU N N 189 119.292 119.292 123.374 -4.082 25488 10533 1 18 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.831 0.002 25488 10534 1 18 . 1 1 189 189 LEU H H 189 8.551 8.551 8.092 0.459 25488 10535 1 18 . 1 1 191 191 ALA N N 191 120.347 120.347 121.625 -1.278 25488 10536 1 18 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.118 0.179 25488 10537 1 18 . 1 1 191 191 ALA H H 191 7.973 7.973 8.167 -0.194 25488 10538 1 18 . 1 1 192 192 ALA N N 192 121.365 121.365 121.764 -0.399 25488 10539 1 18 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.092 -0.075 25488 10540 1 18 . 1 1 192 192 ALA H H 192 9.258 9.258 8.048 1.210 25488 10541 1 18 . 1 1 193 193 THR N N 193 117.027 117.027 114.773 2.254 25488 10542 1 18 . 1 1 193 193 THR HA H 193 3.825 3.825 4.027 -0.202 25488 10543 1 18 . 1 1 193 193 THR H H 193 8.209 8.209 8.154 0.055 25488 10544 1 18 . 1 1 194 194 HIS N N 194 120.231 120.231 121.728 -1.497 25488 10545 1 18 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.165 0.068 25488 10546 1 18 . 1 1 194 194 HIS H H 194 7.805 7.805 7.510 0.295 25488 10547 1 18 . 1 1 195 195 ALA N N 195 121.346 121.346 121.650 -0.304 25488 10548 1 18 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.548 0.632 25488 10549 1 18 . 1 1 195 195 ALA H H 195 8.693 8.693 7.912 0.781 25488 10550 1 18 . 1 1 196 196 LEU N N 196 114.951 114.951 114.967 -0.016 25488 10551 1 18 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.109 0.049 25488 10552 1 18 . 1 1 196 196 LEU H H 196 8.714 8.714 8.335 0.379 25488 10553 1 18 . 1 1 197 197 GLY N N 197 107.954 107.954 106.034 1.920 25488 10554 1 18 . 1 1 197 197 GLY H H 197 7.540 7.540 7.338 0.202 25488 10555 1 18 . 1 1 198 198 HIS N N 198 121.996 121.996 120.673 1.323 25488 10556 1 18 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.114 0.695 25488 10557 1 18 . 1 1 198 198 HIS H H 198 7.205 7.205 7.259 -0.054 25488 10558 1 18 . 1 1 199 199 SER N N 199 118.570 118.570 113.509 5.061 25488 10559 1 18 . 1 1 199 199 SER HA H 199 4.448 4.448 4.305 0.143 25488 10560 1 18 . 1 1 199 199 SER H H 199 7.886 7.886 7.834 0.052 25488 10561 1 18 . 1 1 200 200 LEU N N 200 114.779 114.779 115.802 -1.023 25488 10562 1 18 . 1 1 200 200 LEU H H 200 7.106 7.106 7.383 -0.277 25488 10563 1 18 . 1 1 201 201 GLY N N 201 108.350 108.350 105.396 2.954 25488 10564 1 18 . 1 1 201 201 GLY H H 201 8.213 8.213 7.267 0.946 25488 10565 1 18 . 1 1 202 202 MET N N 202 119.623 119.623 121.009 -1.386 25488 10566 1 18 . 1 1 202 202 MET HA H 202 4.484 4.484 4.246 0.238 25488 10567 1 18 . 1 1 202 202 MET H H 202 8.189 8.189 7.838 0.351 25488 10568 1 18 . 1 1 203 203 GLY N N 203 109.770 109.770 109.737 0.033 25488 10569 1 18 . 1 1 203 203 GLY H H 203 8.413 8.413 8.050 0.363 25488 10570 1 18 . 1 1 204 204 HIS N N 204 115.793 115.793 118.061 -2.268 25488 10571 1 18 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.758 0.616 25488 10572 1 18 . 1 1 204 204 HIS H H 204 8.383 8.383 8.618 -0.235 25488 10573 1 18 . 1 1 205 205 SER N N 205 115.497 115.497 117.480 -1.983 25488 10574 1 18 . 1 1 205 205 SER HA H 205 4.721 4.721 4.796 -0.075 25488 10575 1 18 . 1 1 205 205 SER H H 205 7.223 7.223 8.652 -1.429 25488 10576 1 18 . 1 1 206 206 SER N N 206 119.268 119.268 120.422 -1.154 25488 10577 1 18 . 1 1 206 206 SER HA H 206 3.721 3.721 4.560 -0.839 25488 10578 1 18 . 1 1 206 206 SER H H 206 8.290 8.290 8.885 -0.595 25488 10579 1 18 . 1 1 207 207 ASP N N 207 126.656 126.656 123.015 3.641 25488 10580 1 18 . 1 1 207 207 ASP H H 207 8.541 8.541 7.337 1.204 25488 10581 1 18 . 1 1 209 209 ASN N N 209 115.911 115.911 115.467 0.444 25488 10582 1 18 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.973 -0.357 25488 10583 1 18 . 1 1 209 209 ASN H H 209 8.374 8.374 7.923 0.451 25488 10584 1 18 . 1 1 210 210 ALA N N 210 124.929 124.929 123.369 1.560 25488 10585 1 18 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.412 -0.258 25488 10586 1 18 . 1 1 210 210 ALA H H 210 8.182 8.182 7.407 0.775 25488 10587 1 18 . 1 1 211 211 VAL N N 211 130.383 130.383 120.873 9.510 25488 10588 1 18 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.361 0.889 25488 10589 1 18 . 1 1 211 211 VAL H H 211 11.554 11.554 8.947 2.607 25488 10590 1 18 . 1 1 212 212 MET N N 212 113.319 113.319 111.186 2.133 25488 10591 1 18 . 1 1 212 212 MET H H 212 7.741 7.741 7.080 0.661 25488 10592 1 18 . 1 1 213 213 TYR N N 213 130.006 130.006 126.841 3.165 25488 10593 1 18 . 1 1 213 213 TYR H H 213 7.899 7.899 7.579 0.320 25488 10594 1 18 . 1 1 215 215 THR N N 215 104.747 104.747 112.645 -7.898 25488 10595 1 18 . 1 1 215 215 THR HA H 215 4.404 4.404 4.210 0.194 25488 10596 1 18 . 1 1 215 215 THR H H 215 6.402 6.402 7.212 -0.810 25488 10597 1 18 . 1 1 216 216 TYR N N 216 124.699 124.699 124.406 0.293 25488 10598 1 18 . 1 1 216 216 TYR H H 216 8.341 8.341 7.990 0.351 25488 10599 1 18 . 1 1 217 217 GLY N N 217 116.288 116.288 109.399 6.889 25488 10600 1 18 . 1 1 217 217 GLY H H 217 7.685 7.685 8.683 -0.998 25488 10601 1 18 . 1 1 218 218 ASN N N 218 119.920 119.920 117.734 2.186 25488 10602 1 18 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.898 -0.278 25488 10603 1 18 . 1 1 218 218 ASN H H 218 8.221 8.221 8.498 -0.277 25488 10604 1 18 . 1 1 219 219 GLY N N 219 109.601 109.601 108.657 0.944 25488 10605 1 18 . 1 1 219 219 GLY H H 219 8.072 8.072 8.183 -0.111 25488 10606 1 18 . 1 1 220 220 ASP N N 220 123.006 123.006 117.352 5.654 25488 10607 1 18 . 1 1 220 220 ASP H H 220 8.280 8.280 8.068 0.212 25488 10608 1 18 . 1 1 222 222 GLN N N 222 116.642 116.642 118.188 -1.546 25488 10609 1 18 . 1 1 222 222 GLN H H 222 8.215 8.215 8.391 -0.176 25488 10610 1 18 . 1 1 223 223 ASN N N 223 118.361 118.361 119.087 -0.726 25488 10611 1 18 . 1 1 223 223 ASN H H 223 7.970 7.970 8.518 -0.548 25488 10612 1 18 . 1 1 225 225 LYS N N 225 122.215 122.215 121.840 0.375 25488 10613 1 18 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.526 -0.110 25488 10614 1 18 . 1 1 225 225 LYS H H 225 7.656 7.656 9.132 -1.476 25488 10615 1 18 . 1 1 226 226 LEU N N 226 119.165 119.165 123.958 -4.793 25488 10616 1 18 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.553 -0.465 25488 10617 1 18 . 1 1 226 226 LEU H H 226 7.984 7.984 8.527 -0.543 25488 10618 1 18 . 1 1 227 227 SER N N 227 120.520 120.520 119.175 1.345 25488 10619 1 18 . 1 1 227 227 SER HA H 227 4.676 4.676 4.676 0.000 25488 10620 1 18 . 1 1 227 227 SER H H 227 9.646 9.646 8.501 1.145 25488 10621 1 18 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.110 0.564 25488 10622 1 18 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.316 0.058 25488 10623 1 18 . 1 1 229 229 ASP H H 229 8.113 8.113 8.143 -0.030 25488 10624 1 18 . 1 1 230 230 ASP N N 230 119.878 119.878 117.063 2.815 25488 10625 1 18 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.618 -0.280 25488 10626 1 18 . 1 1 230 230 ASP H H 230 7.397 7.397 7.563 -0.166 25488 10627 1 18 . 1 1 231 231 ILE N N 231 120.389 120.389 120.651 -0.262 25488 10628 1 18 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.863 -0.208 25488 10629 1 18 . 1 1 231 231 ILE H H 231 8.100 8.100 8.057 0.043 25488 10630 1 18 . 1 1 232 232 LYS N N 232 119.084 119.084 121.019 -1.935 25488 10631 1 18 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.110 -0.015 25488 10632 1 18 . 1 1 232 232 LYS H H 232 8.581 8.581 8.204 0.377 25488 10633 1 18 . 1 1 233 233 GLY N N 233 106.424 106.424 107.773 -1.349 25488 10634 1 18 . 1 1 233 233 GLY H H 233 8.061 8.061 7.745 0.316 25488 10635 1 18 . 1 1 234 234 ILE N N 234 125.166 125.166 122.708 2.458 25488 10636 1 18 . 1 1 234 234 ILE H H 234 8.517 8.517 7.826 0.691 25488 10637 1 18 . 1 1 235 235 GLN N N 235 122.969 122.969 119.694 3.275 25488 10638 1 18 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.072 0.309 25488 10639 1 18 . 1 1 235 235 GLN H H 235 8.291 8.291 8.456 -0.165 25488 10640 1 18 . 1 1 236 236 LYS N N 236 123.770 123.770 117.497 6.273 25488 10641 1 18 . 1 1 236 236 LYS H H 236 8.035 8.035 7.571 0.464 25488 10642 1 18 . 1 1 237 237 LEU N N 237 116.854 116.854 116.951 -0.097 25488 10643 1 18 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.166 -0.207 25488 10644 1 18 . 1 1 237 237 LEU H H 237 6.886 6.886 7.544 -0.658 25488 10645 1 18 . 1 1 238 238 TYR N N 238 112.132 112.132 117.861 -5.729 25488 10646 1 18 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.688 -0.062 25488 10647 1 18 . 1 1 238 238 TYR H H 238 7.459 7.459 7.846 -0.387 25488 10648 1 18 . 1 1 239 239 GLY N N 239 110.898 110.898 106.847 4.051 25488 10649 1 18 . 1 1 239 239 GLY H H 239 8.442 8.442 8.160 0.282 25488 10650 1 18 . 1 1 240 240 LYS N N 240 114.400 114.400 120.553 -6.153 25488 10651 1 18 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.512 0.292 25488 10652 1 18 . 1 1 240 240 LYS H H 240 7.865 7.865 8.460 -0.595 25488 10653 1 18 . 1 1 241 241 ARG N N 241 123.851 123.851 121.930 1.921 25488 10654 1 18 . 1 1 241 241 ARG H H 241 7.760 7.760 8.449 -0.689 25488 10655 1 18 . 1 1 242 242 SER N N 242 135.647 135.647 116.640 19.007 25488 10656 1 18 . 1 1 242 242 SER H H 242 9.158 9.158 8.365 0.793 25488 10657 1 19 . 1 1 3 3 GLU N N 3 121.690 121.690 126.564 -4.874 25488 10658 1 19 . 1 1 3 3 GLU H H 3 8.332 8.332 8.988 -0.656 25488 10659 1 19 . 1 1 4 4 ALA N N 4 124.526 124.526 117.879 6.647 25488 10660 1 19 . 1 1 4 4 ALA H H 4 8.111 8.111 8.480 -0.369 25488 10661 1 19 . 1 1 5 5 GLY N N 5 108.229 108.229 105.704 2.525 25488 10662 1 19 . 1 1 5 5 GLY H H 5 8.286 8.286 7.485 0.801 25488 10663 1 19 . 1 1 6 6 GLY N N 6 108.867 108.867 108.072 0.795 25488 10664 1 19 . 1 1 6 6 GLY H H 6 8.239 8.239 7.380 0.859 25488 10665 1 19 . 1 1 7 7 MET N N 7 119.984 119.984 121.592 -1.608 25488 10666 1 19 . 1 1 7 7 MET H H 7 8.044 8.044 7.783 0.261 25488 10667 1 19 . 1 1 8 8 SER N N 8 118.771 118.771 118.299 0.472 25488 10668 1 19 . 1 1 8 8 SER HA H 8 4.239 4.239 4.397 -0.158 25488 10669 1 19 . 1 1 8 8 SER H H 8 8.738 8.738 8.287 0.451 25488 10670 1 19 . 1 1 9 9 GLU N N 9 122.551 122.551 120.624 1.927 25488 10671 1 19 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.161 0.091 25488 10672 1 19 . 1 1 9 9 GLU H H 9 8.919 8.919 9.049 -0.130 25488 10673 1 19 . 1 1 10 10 LEU N N 10 120.638 120.638 119.051 1.587 25488 10674 1 19 . 1 1 10 10 LEU H H 10 8.017 8.017 7.886 0.131 25488 10675 1 19 . 1 1 11 11 GLN N N 11 119.889 119.889 120.003 -0.114 25488 10676 1 19 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.985 0.149 25488 10677 1 19 . 1 1 11 11 GLN H H 11 7.807 7.807 7.741 0.066 25488 10678 1 19 . 1 1 12 12 TRP N N 12 120.951 120.951 122.274 -1.323 25488 10679 1 19 . 1 1 12 12 TRP H H 12 8.202 8.202 7.644 0.558 25488 10680 1 19 . 1 1 13 13 GLU N N 13 121.870 121.870 119.468 2.402 25488 10681 1 19 . 1 1 13 13 GLU H H 13 8.436 8.436 8.008 0.428 25488 10682 1 19 . 1 1 14 14 GLN N N 14 120.646 120.646 117.469 3.177 25488 10683 1 19 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.021 0.148 25488 10684 1 19 . 1 1 14 14 GLN H H 14 8.159 8.159 7.770 0.389 25488 10685 1 19 . 1 1 15 15 ALA N N 15 123.216 123.216 121.291 1.925 25488 10686 1 19 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.130 0.208 25488 10687 1 19 . 1 1 15 15 ALA H H 15 8.355 8.355 7.441 0.914 25488 10688 1 19 . 1 1 16 16 GLN N N 16 117.766 117.766 118.398 -0.632 25488 10689 1 19 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.852 -0.147 25488 10690 1 19 . 1 1 16 16 GLN H H 16 8.440 8.440 7.717 0.723 25488 10691 1 19 . 1 1 17 17 ASP N N 17 120.090 120.090 117.820 2.270 25488 10692 1 19 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.416 0.047 25488 10693 1 19 . 1 1 17 17 ASP H H 17 7.899 7.899 8.193 -0.294 25488 10694 1 19 . 1 1 18 18 TYR N N 18 122.296 122.296 120.078 2.218 25488 10695 1 19 . 1 1 18 18 TYR H H 18 8.264 8.264 7.217 1.047 25488 10696 1 19 . 1 1 19 19 LEU N N 19 117.675 117.675 118.462 -0.787 25488 10697 1 19 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.078 1.047 25488 10698 1 19 . 1 1 19 19 LEU H H 19 8.687 8.687 8.151 0.536 25488 10699 1 19 . 1 1 20 20 LYS N N 20 124.620 124.620 114.952 9.668 25488 10700 1 19 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.185 -0.042 25488 10701 1 19 . 1 1 20 20 LYS H H 20 8.790 8.790 7.431 1.359 25488 10702 1 19 . 1 1 21 21 ARG N N 21 117.608 117.608 119.561 -1.953 25488 10703 1 19 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.998 -0.301 25488 10704 1 19 . 1 1 21 21 ARG H H 21 7.835 7.835 7.317 0.518 25488 10705 1 19 . 1 1 22 22 PHE N N 22 112.136 112.136 115.370 -3.234 25488 10706 1 19 . 1 1 22 22 PHE H H 22 8.003 8.003 7.295 0.708 25488 10707 1 19 . 1 1 23 23 TYR N N 23 116.244 116.244 115.697 0.547 25488 10708 1 19 . 1 1 23 23 TYR H H 23 7.678 7.678 8.257 -0.579 25488 10709 1 19 . 1 1 24 24 LEU N N 24 115.582 115.582 119.452 -3.870 25488 10710 1 19 . 1 1 24 24 LEU HA H 24 4.135 4.135 3.998 0.137 25488 10711 1 19 . 1 1 24 24 LEU H H 24 7.238 7.238 7.756 -0.518 25488 10712 1 19 . 1 1 25 25 TYR N N 25 119.996 119.996 113.632 6.364 25488 10713 1 19 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.843 -0.438 25488 10714 1 19 . 1 1 25 25 TYR H H 25 7.826 7.826 7.171 0.655 25488 10715 1 19 . 1 1 26 26 ASP N N 26 129.292 129.292 122.650 6.642 25488 10716 1 19 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.920 -0.459 25488 10717 1 19 . 1 1 26 26 ASP H H 26 8.121 8.121 8.281 -0.160 25488 10718 1 19 . 1 1 28 28 GLU N N 28 122.115 122.115 121.006 1.109 25488 10719 1 19 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.267 0.014 25488 10720 1 19 . 1 1 28 28 GLU H H 28 8.262 8.262 8.731 -0.469 25488 10721 1 19 . 1 1 29 29 THR N N 29 114.171 114.171 113.874 0.297 25488 10722 1 19 . 1 1 29 29 THR HA H 29 4.222 4.222 4.385 -0.163 25488 10723 1 19 . 1 1 29 29 THR H H 29 7.496 7.496 7.705 -0.209 25488 10724 1 19 . 1 1 30 30 LYS N N 30 123.019 123.019 122.665 0.354 25488 10725 1 19 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.188 0.030 25488 10726 1 19 . 1 1 30 30 LYS H H 30 8.154 8.154 7.262 0.892 25488 10727 1 19 . 1 1 32 32 ALA N N 32 126.481 126.481 127.547 -1.066 25488 10728 1 19 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.058 0.192 25488 10729 1 19 . 1 1 32 32 ALA H H 32 8.424 8.424 8.720 -0.296 25488 10730 1 19 . 1 1 33 33 ASN N N 33 116.834 116.834 116.845 -0.011 25488 10731 1 19 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.513 0.185 25488 10732 1 19 . 1 1 33 33 ASN H H 33 8.312 8.312 8.057 0.255 25488 10733 1 19 . 1 1 34 34 SER N N 34 116.960 116.960 116.747 0.213 25488 10734 1 19 . 1 1 34 34 SER HA H 34 4.522 4.522 4.159 0.363 25488 10735 1 19 . 1 1 34 34 SER H H 34 8.112 8.112 7.699 0.413 25488 10736 1 19 . 1 1 35 35 LEU N N 35 125.335 125.335 123.366 1.969 25488 10737 1 19 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.962 -0.411 25488 10738 1 19 . 1 1 35 35 LEU H H 35 8.324 8.324 8.809 -0.485 25488 10739 1 19 . 1 1 36 36 GLU N N 36 119.302 119.302 118.760 0.542 25488 10740 1 19 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.907 0.036 25488 10741 1 19 . 1 1 36 36 GLU H H 36 8.239 8.239 8.373 -0.134 25488 10742 1 19 . 1 1 37 37 ALA N N 37 120.683 120.683 122.049 -1.366 25488 10743 1 19 . 1 1 37 37 ALA HA H 37 4.047 4.047 3.972 0.075 25488 10744 1 19 . 1 1 37 37 ALA H H 37 7.898 7.898 7.681 0.217 25488 10745 1 19 . 1 1 38 38 LYS N N 38 119.470 119.470 119.849 -0.379 25488 10746 1 19 . 1 1 38 38 LYS HA H 38 4.333 4.333 3.927 0.406 25488 10747 1 19 . 1 1 38 38 LYS H H 38 8.217 8.217 7.735 0.482 25488 10748 1 19 . 1 1 39 39 LEU N N 39 122.664 122.664 119.435 3.229 25488 10749 1 19 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.953 -0.039 25488 10750 1 19 . 1 1 39 39 LEU H H 39 8.658 8.658 8.410 0.248 25488 10751 1 19 . 1 1 40 40 LYS N N 40 118.301 118.301 117.924 0.377 25488 10752 1 19 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.865 0.808 25488 10753 1 19 . 1 1 40 40 LYS H H 40 8.221 8.221 7.833 0.388 25488 10754 1 19 . 1 1 41 41 GLU N N 41 121.462 121.462 119.127 2.335 25488 10755 1 19 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.213 -0.145 25488 10756 1 19 . 1 1 41 41 GLU H H 41 7.736 7.736 7.811 -0.075 25488 10757 1 19 . 1 1 42 42 MET N N 42 123.761 123.761 120.051 3.710 25488 10758 1 19 . 1 1 42 42 MET HA H 42 4.046 4.046 4.126 -0.080 25488 10759 1 19 . 1 1 42 42 MET H H 42 7.672 7.672 8.580 -0.908 25488 10760 1 19 . 1 1 43 43 GLN N N 43 120.035 120.035 117.613 2.422 25488 10761 1 19 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.996 -0.200 25488 10762 1 19 . 1 1 43 43 GLN H H 43 8.904 8.904 8.002 0.902 25488 10763 1 19 . 1 1 44 44 LYS N N 44 119.131 119.131 121.154 -2.023 25488 10764 1 19 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.106 -0.054 25488 10765 1 19 . 1 1 44 44 LYS H H 44 8.511 8.511 7.574 0.937 25488 10766 1 19 . 1 1 45 45 PHE N N 45 123.544 123.544 118.607 4.937 25488 10767 1 19 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.334 -0.484 25488 10768 1 19 . 1 1 45 45 PHE H H 45 8.438 8.438 8.623 -0.185 25488 10769 1 19 . 1 1 46 46 PHE N N 46 112.789 112.789 117.472 -4.683 25488 10770 1 19 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.634 -0.052 25488 10771 1 19 . 1 1 46 46 PHE H H 46 8.273 8.273 8.247 0.026 25488 10772 1 19 . 1 1 47 47 GLY N N 47 110.408 110.408 107.249 3.159 25488 10773 1 19 . 1 1 47 47 GLY H H 47 7.922 7.922 8.226 -0.304 25488 10774 1 19 . 1 1 48 48 LEU N N 48 121.853 121.853 121.945 -0.092 25488 10775 1 19 . 1 1 48 48 LEU H H 48 8.747 8.747 7.681 1.066 25488 10776 1 19 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.413 -0.212 25488 10777 1 19 . 1 1 50 50 ILE N N 50 127.000 127.000 120.939 6.061 25488 10778 1 19 . 1 1 50 50 ILE H H 50 8.529 8.529 7.666 0.863 25488 10779 1 19 . 1 1 51 51 THR N N 51 116.519 116.519 117.416 -0.897 25488 10780 1 19 . 1 1 51 51 THR H H 51 7.980 7.980 8.684 -0.704 25488 10781 1 19 . 1 1 52 52 GLY N N 52 112.725 112.725 114.584 -1.859 25488 10782 1 19 . 1 1 52 52 GLY H H 52 9.483 9.483 9.441 0.042 25488 10783 1 19 . 1 1 53 53 MET N N 53 116.735 116.735 120.588 -3.853 25488 10784 1 19 . 1 1 53 53 MET HA H 53 4.044 4.044 4.698 -0.654 25488 10785 1 19 . 1 1 53 53 MET H H 53 7.969 7.969 8.207 -0.238 25488 10786 1 19 . 1 1 54 54 LEU N N 54 122.602 122.602 126.749 -4.147 25488 10787 1 19 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.660 -0.954 25488 10788 1 19 . 1 1 54 54 LEU H H 54 7.926 7.926 8.328 -0.402 25488 10789 1 19 . 1 1 55 55 ASN N N 55 115.755 115.755 121.153 -5.398 25488 10790 1 19 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.032 -0.292 25488 10791 1 19 . 1 1 55 55 ASN H H 55 6.555 6.555 8.234 -1.679 25488 10792 1 19 . 1 1 56 56 SER N N 56 121.450 121.450 120.120 1.330 25488 10793 1 19 . 1 1 56 56 SER HA H 56 4.662 4.662 4.277 0.385 25488 10794 1 19 . 1 1 56 56 SER H H 56 8.205 8.205 8.965 -0.760 25488 10795 1 19 . 1 1 57 57 ARG N N 57 123.219 123.219 122.824 0.395 25488 10796 1 19 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.008 0.198 25488 10797 1 19 . 1 1 57 57 ARG H H 57 7.883 7.883 7.930 -0.047 25488 10798 1 19 . 1 1 58 58 VAL N N 58 118.843 118.843 118.231 0.612 25488 10799 1 19 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.652 -0.352 25488 10800 1 19 . 1 1 58 58 VAL H H 58 7.594 7.594 7.653 -0.059 25488 10801 1 19 . 1 1 59 59 ILE N N 59 119.212 119.212 120.030 -0.818 25488 10802 1 19 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.459 0.010 25488 10803 1 19 . 1 1 59 59 ILE H H 59 7.326 7.326 7.524 -0.198 25488 10804 1 19 . 1 1 60 60 GLU N N 60 119.544 119.544 120.571 -1.027 25488 10805 1 19 . 1 1 60 60 GLU H H 60 7.880 7.880 7.964 -0.084 25488 10806 1 19 . 1 1 61 61 ILE N N 61 118.812 118.812 113.007 5.805 25488 10807 1 19 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.368 0.074 25488 10808 1 19 . 1 1 61 61 ILE H H 61 7.217 7.217 7.256 -0.039 25488 10809 1 19 . 1 1 62 62 MET N N 62 120.202 120.202 118.872 1.330 25488 10810 1 19 . 1 1 62 62 MET HA H 62 3.419 3.419 4.203 -0.784 25488 10811 1 19 . 1 1 62 62 MET H H 62 7.820 7.820 7.375 0.445 25488 10812 1 19 . 1 1 63 63 GLN N N 63 116.274 116.274 116.521 -0.247 25488 10813 1 19 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.642 -0.401 25488 10814 1 19 . 1 1 63 63 GLN H H 63 7.442 7.442 8.025 -0.583 25488 10815 1 19 . 1 1 64 64 LYS N N 64 121.450 121.450 122.001 -0.551 25488 10816 1 19 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.477 0.022 25488 10817 1 19 . 1 1 64 64 LYS H H 64 7.474 7.474 7.734 -0.260 25488 10818 1 19 . 1 1 66 66 ARG N N 66 113.173 113.173 120.035 -6.862 25488 10819 1 19 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.292 0.147 25488 10820 1 19 . 1 1 66 66 ARG H H 66 8.151 8.151 7.708 0.443 25488 10821 1 19 . 1 1 67 67 CYS N N 67 121.794 121.794 118.068 3.726 25488 10822 1 19 . 1 1 67 67 CYS HA H 67 4.420 4.420 5.042 -0.622 25488 10823 1 19 . 1 1 67 67 CYS H H 67 7.709 7.709 8.109 -0.400 25488 10824 1 19 . 1 1 68 68 GLY N N 68 116.255 116.255 108.920 7.335 25488 10825 1 19 . 1 1 68 68 GLY H H 68 9.707 9.707 8.580 1.127 25488 10826 1 19 . 1 1 69 69 VAL N N 69 126.541 126.541 113.692 12.849 25488 10827 1 19 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.635 -0.828 25488 10828 1 19 . 1 1 69 69 VAL H H 69 9.118 9.118 6.957 2.161 25488 10829 1 19 . 1 1 71 71 ASP N N 71 119.114 119.114 127.053 -7.939 25488 10830 1 19 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.549 -0.066 25488 10831 1 19 . 1 1 71 71 ASP H H 71 8.067 8.067 8.091 -0.024 25488 10832 1 19 . 1 1 72 72 VAL N N 72 112.988 112.988 117.370 -4.382 25488 10833 1 19 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.189 0.092 25488 10834 1 19 . 1 1 72 72 VAL H H 72 6.438 6.438 7.350 -0.912 25488 10835 1 19 . 1 1 73 73 ALA N N 73 125.902 125.902 127.614 -1.712 25488 10836 1 19 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.271 -0.004 25488 10837 1 19 . 1 1 73 73 ALA H H 73 8.171 8.171 8.501 -0.330 25488 10838 1 19 . 1 1 74 74 GLU N N 74 120.835 120.835 124.449 -3.614 25488 10839 1 19 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.479 -0.396 25488 10840 1 19 . 1 1 74 74 GLU H H 74 8.385 8.385 7.864 0.521 25488 10841 1 19 . 1 1 75 75 TYR N N 75 121.820 121.820 120.222 1.598 25488 10842 1 19 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.155 0.239 25488 10843 1 19 . 1 1 75 75 TYR H H 75 8.102 8.102 8.783 -0.681 25488 10844 1 19 . 1 1 76 76 SER N N 76 117.881 117.881 116.225 1.656 25488 10845 1 19 . 1 1 76 76 SER H H 76 7.718 7.718 8.657 -0.939 25488 10846 1 19 . 1 1 77 77 LEU N N 77 123.835 123.835 120.282 3.553 25488 10847 1 19 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.705 -0.613 25488 10848 1 19 . 1 1 77 77 LEU H H 77 8.033 8.033 7.457 0.576 25488 10849 1 19 . 1 1 78 78 PHE N N 78 118.893 118.893 120.043 -1.150 25488 10850 1 19 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.051 -0.206 25488 10851 1 19 . 1 1 78 78 PHE H H 78 7.822 7.822 8.582 -0.760 25488 10852 1 19 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.330 0.001 25488 10853 1 19 . 1 1 80 80 ASN N N 80 118.184 118.184 122.635 -4.451 25488 10854 1 19 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.696 -0.016 25488 10855 1 19 . 1 1 80 80 ASN H H 80 8.106 8.106 8.108 -0.002 25488 10856 1 19 . 1 1 81 81 SER HA H 81 4.636 4.636 4.555 0.081 25488 10857 1 19 . 1 1 83 83 LYS N N 83 114.696 114.696 120.448 -5.752 25488 10858 1 19 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.574 -0.351 25488 10859 1 19 . 1 1 83 83 LYS H H 83 7.361 7.361 7.932 -0.571 25488 10860 1 19 . 1 1 84 84 TRP N N 84 122.459 122.459 122.477 -0.018 25488 10861 1 19 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.759 -0.756 25488 10862 1 19 . 1 1 84 84 TRP H H 84 8.020 8.020 9.047 -1.027 25488 10863 1 19 . 1 1 85 85 THR N N 85 113.482 113.482 116.066 -2.584 25488 10864 1 19 . 1 1 85 85 THR HA H 85 4.586 4.586 4.341 0.245 25488 10865 1 19 . 1 1 85 85 THR H H 85 8.833 8.833 8.709 0.124 25488 10866 1 19 . 1 1 86 86 SER N N 86 117.316 117.316 113.717 3.599 25488 10867 1 19 . 1 1 86 86 SER HA H 86 4.665 4.665 4.580 0.085 25488 10868 1 19 . 1 1 86 86 SER H H 86 7.724 7.724 7.590 0.134 25488 10869 1 19 . 1 1 87 87 LYS N N 87 120.411 120.411 119.154 1.257 25488 10870 1 19 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.392 -0.253 25488 10871 1 19 . 1 1 87 87 LYS H H 87 8.312 8.312 8.412 -0.100 25488 10872 1 19 . 1 1 88 88 VAL N N 88 117.674 117.674 120.772 -3.098 25488 10873 1 19 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.292 0.359 25488 10874 1 19 . 1 1 88 88 VAL H H 88 7.425 7.425 7.107 0.318 25488 10875 1 19 . 1 1 89 89 VAL N N 89 131.493 131.493 128.249 3.244 25488 10876 1 19 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.455 -0.314 25488 10877 1 19 . 1 1 89 89 VAL H H 89 8.574 8.574 8.980 -0.406 25488 10878 1 19 . 1 1 90 90 THR N N 90 118.245 118.245 114.906 3.339 25488 10879 1 19 . 1 1 90 90 THR HA H 90 5.627 5.627 5.642 -0.015 25488 10880 1 19 . 1 1 90 90 THR H H 90 9.021 9.021 8.237 0.784 25488 10881 1 19 . 1 1 91 91 TYR N N 91 118.267 118.267 119.901 -1.634 25488 10882 1 19 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.763 -0.089 25488 10883 1 19 . 1 1 91 91 TYR H H 91 8.555 8.555 8.956 -0.401 25488 10884 1 19 . 1 1 92 92 ARG N N 92 120.260 120.260 122.291 -2.031 25488 10885 1 19 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.793 -0.147 25488 10886 1 19 . 1 1 92 92 ARG H H 92 8.513 8.513 9.047 -0.534 25488 10887 1 19 . 1 1 93 93 ILE N N 93 128.361 128.361 126.273 2.088 25488 10888 1 19 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.611 0.008 25488 10889 1 19 . 1 1 93 93 ILE H H 93 8.878 8.878 8.970 -0.092 25488 10890 1 19 . 1 1 94 94 VAL N N 94 126.374 126.374 127.576 -1.202 25488 10891 1 19 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.337 -0.337 25488 10892 1 19 . 1 1 94 94 VAL H H 94 9.492 9.492 9.260 0.232 25488 10893 1 19 . 1 1 95 95 SER N N 95 113.303 113.303 114.561 -1.258 25488 10894 1 19 . 1 1 95 95 SER HA H 95 4.705 4.705 4.709 -0.004 25488 10895 1 19 . 1 1 95 95 SER H H 95 7.431 7.431 7.749 -0.318 25488 10896 1 19 . 1 1 96 96 TYR N N 96 117.054 117.054 117.877 -0.823 25488 10897 1 19 . 1 1 96 96 TYR H H 96 8.255 8.255 7.576 0.679 25488 10898 1 19 . 1 1 98 98 ARG N N 98 128.445 128.445 121.932 6.513 25488 10899 1 19 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.130 0.208 25488 10900 1 19 . 1 1 98 98 ARG H H 98 8.964 8.964 8.441 0.523 25488 10901 1 19 . 1 1 99 99 ASP N N 99 120.412 120.412 120.059 0.353 25488 10902 1 19 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.425 -0.090 25488 10903 1 19 . 1 1 99 99 ASP H H 99 8.695 8.695 8.468 0.227 25488 10904 1 19 . 1 1 100 100 LEU N N 100 116.851 116.851 117.731 -0.880 25488 10905 1 19 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.658 0.275 25488 10906 1 19 . 1 1 100 100 LEU H H 100 6.902 6.902 7.430 -0.528 25488 10907 1 19 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.498 0.669 25488 10908 1 19 . 1 1 103 103 ILE N N 103 115.469 115.469 113.841 1.628 25488 10909 1 19 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.648 0.525 25488 10910 1 19 . 1 1 103 103 ILE H H 103 8.296 8.296 7.942 0.354 25488 10911 1 19 . 1 1 104 104 THR N N 104 119.413 119.413 111.685 7.728 25488 10912 1 19 . 1 1 104 104 THR HA H 104 4.019 4.019 4.207 -0.188 25488 10913 1 19 . 1 1 104 104 THR H H 104 6.915 6.915 7.964 -1.049 25488 10914 1 19 . 1 1 105 105 VAL N N 105 123.232 123.232 122.190 1.042 25488 10915 1 19 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.813 -0.399 25488 10916 1 19 . 1 1 105 105 VAL H H 105 7.379 7.379 7.522 -0.143 25488 10917 1 19 . 1 1 106 106 ASP N N 106 120.160 120.160 119.856 0.304 25488 10918 1 19 . 1 1 106 106 ASP H H 106 8.615 8.615 8.296 0.319 25488 10919 1 19 . 1 1 107 107 ARG N N 107 121.041 121.041 117.053 3.988 25488 10920 1 19 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.160 -0.070 25488 10921 1 19 . 1 1 107 107 ARG H H 107 8.372 8.372 7.444 0.928 25488 10922 1 19 . 1 1 108 108 LEU N N 108 121.644 121.644 119.704 1.940 25488 10923 1 19 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.318 -0.065 25488 10924 1 19 . 1 1 108 108 LEU H H 108 8.768 8.768 7.556 1.212 25488 10925 1 19 . 1 1 109 109 VAL N N 109 120.347 120.347 117.864 2.483 25488 10926 1 19 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.537 -0.166 25488 10927 1 19 . 1 1 109 109 VAL H H 109 8.762 8.762 8.523 0.239 25488 10928 1 19 . 1 1 110 110 SER N N 110 112.949 112.949 116.524 -3.575 25488 10929 1 19 . 1 1 110 110 SER HA H 110 4.270 4.270 3.819 0.451 25488 10930 1 19 . 1 1 110 110 SER H H 110 7.605 7.605 7.758 -0.153 25488 10931 1 19 . 1 1 111 111 LYS N N 111 122.434 122.434 121.623 0.811 25488 10932 1 19 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.938 0.104 25488 10933 1 19 . 1 1 111 111 LYS H H 111 8.146 8.146 7.717 0.429 25488 10934 1 19 . 1 1 112 112 ALA N N 112 124.099 124.099 122.282 1.817 25488 10935 1 19 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.058 0.019 25488 10936 1 19 . 1 1 112 112 ALA H H 112 8.270 8.270 8.069 0.201 25488 10937 1 19 . 1 1 113 113 LEU N N 113 116.251 116.251 118.265 -2.014 25488 10938 1 19 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.810 -0.088 25488 10939 1 19 . 1 1 113 113 LEU H H 113 8.019 8.019 7.562 0.457 25488 10940 1 19 . 1 1 114 114 ASN N N 114 116.659 116.659 117.352 -0.693 25488 10941 1 19 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.415 0.114 25488 10942 1 19 . 1 1 114 114 ASN H H 114 8.197 8.197 7.964 0.233 25488 10943 1 19 . 1 1 115 115 MET N N 115 122.118 122.118 118.515 3.603 25488 10944 1 19 . 1 1 115 115 MET HA H 115 4.013 4.013 4.160 -0.147 25488 10945 1 19 . 1 1 115 115 MET H H 115 7.918 7.918 7.879 0.039 25488 10946 1 19 . 1 1 116 116 TRP N N 116 117.117 117.117 117.318 -0.201 25488 10947 1 19 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.790 -0.280 25488 10948 1 19 . 1 1 116 116 TRP H H 116 6.773 6.773 7.594 -0.821 25488 10949 1 19 . 1 1 117 117 GLY N N 117 104.656 104.656 108.917 -4.261 25488 10950 1 19 . 1 1 117 117 GLY H H 117 9.305 9.305 8.317 0.988 25488 10951 1 19 . 1 1 118 118 LYS N N 118 118.567 118.567 120.366 -1.799 25488 10952 1 19 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.127 0.050 25488 10953 1 19 . 1 1 118 118 LYS H H 118 7.947 7.947 8.053 -0.106 25488 10954 1 19 . 1 1 119 119 GLU N N 119 113.899 113.899 117.009 -3.110 25488 10955 1 19 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.383 0.425 25488 10956 1 19 . 1 1 119 119 GLU H H 119 7.773 7.773 8.359 -0.586 25488 10957 1 19 . 1 1 120 120 ILE N N 120 111.215 111.215 116.794 -5.579 25488 10958 1 19 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.820 0.501 25488 10959 1 19 . 1 1 120 120 ILE H H 120 7.528 7.528 7.810 -0.282 25488 10960 1 19 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.605 0.016 25488 10961 1 19 . 1 1 122 122 LEU N N 122 121.481 121.481 123.357 -1.876 25488 10962 1 19 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.186 0.106 25488 10963 1 19 . 1 1 122 122 LEU H H 122 6.815 6.815 8.013 -1.198 25488 10964 1 19 . 1 1 123 123 HIS N N 123 120.769 120.769 122.936 -2.167 25488 10965 1 19 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.672 -0.080 25488 10966 1 19 . 1 1 123 123 HIS H H 123 7.709 7.709 8.757 -1.048 25488 10967 1 19 . 1 1 124 124 PHE N N 124 120.530 120.530 122.579 -2.049 25488 10968 1 19 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.211 0.601 25488 10969 1 19 . 1 1 124 124 PHE H H 124 8.306 8.306 8.877 -0.571 25488 10970 1 19 . 1 1 125 125 ARG N N 125 123.891 123.891 125.404 -1.513 25488 10971 1 19 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.750 -0.097 25488 10972 1 19 . 1 1 125 125 ARG H H 125 8.408 8.408 8.820 -0.412 25488 10973 1 19 . 1 1 126 126 LYS N N 126 130.178 130.178 126.835 3.343 25488 10974 1 19 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.629 -0.268 25488 10975 1 19 . 1 1 126 126 LYS H H 126 8.468 8.468 8.590 -0.122 25488 10976 1 19 . 1 1 127 127 VAL N N 127 125.180 125.180 126.178 -0.998 25488 10977 1 19 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.111 0.397 25488 10978 1 19 . 1 1 127 127 VAL H H 127 8.679 8.679 8.242 0.437 25488 10979 1 19 . 1 1 128 128 VAL N N 128 117.584 117.584 116.268 1.316 25488 10980 1 19 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.455 -0.169 25488 10981 1 19 . 1 1 128 128 VAL H H 128 8.469 8.469 7.903 0.566 25488 10982 1 19 . 1 1 129 129 TRP N N 129 119.805 119.805 119.242 0.563 25488 10983 1 19 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.921 -0.235 25488 10984 1 19 . 1 1 129 129 TRP H H 129 7.447 7.447 7.409 0.038 25488 10985 1 19 . 1 1 130 130 GLY N N 130 109.844 109.844 111.606 -1.762 25488 10986 1 19 . 1 1 130 130 GLY H H 130 8.072 8.072 8.226 -0.154 25488 10987 1 19 . 1 1 131 131 THR N N 131 116.125 116.125 114.146 1.979 25488 10988 1 19 . 1 1 131 131 THR HA H 131 4.123 4.123 4.312 -0.189 25488 10989 1 19 . 1 1 131 131 THR H H 131 8.196 8.196 8.176 0.020 25488 10990 1 19 . 1 1 132 132 ALA N N 132 129.613 129.613 128.474 1.139 25488 10991 1 19 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.568 -0.057 25488 10992 1 19 . 1 1 132 132 ALA H H 132 7.919 7.919 8.154 -0.235 25488 10993 1 19 . 1 1 133 133 ASP N N 133 123.004 123.004 120.029 2.975 25488 10994 1 19 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.577 -0.135 25488 10995 1 19 . 1 1 133 133 ASP H H 133 8.248 8.248 8.442 -0.194 25488 10996 1 19 . 1 1 134 134 ILE N N 134 125.478 125.478 121.830 3.648 25488 10997 1 19 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.482 -0.389 25488 10998 1 19 . 1 1 134 134 ILE H H 134 8.804 8.804 8.256 0.548 25488 10999 1 19 . 1 1 135 135 MET N N 135 127.471 127.471 127.887 -0.416 25488 11000 1 19 . 1 1 135 135 MET HA H 135 5.194 5.194 5.030 0.164 25488 11001 1 19 . 1 1 135 135 MET H H 135 7.437 7.437 9.951 -2.514 25488 11002 1 19 . 1 1 136 136 ILE N N 136 125.040 125.040 125.994 -0.954 25488 11003 1 19 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.426 1.151 25488 11004 1 19 . 1 1 136 136 ILE H H 136 9.085 9.085 9.171 -0.086 25488 11005 1 19 . 1 1 137 137 GLY N N 137 112.059 112.059 114.739 -2.680 25488 11006 1 19 . 1 1 137 137 GLY H H 137 8.568 8.568 8.289 0.279 25488 11007 1 19 . 1 1 138 138 PHE N N 138 119.447 119.447 120.632 -1.185 25488 11008 1 19 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.357 0.097 25488 11009 1 19 . 1 1 138 138 PHE H H 138 7.861 7.861 8.946 -1.085 25488 11010 1 19 . 1 1 139 139 ALA N N 139 123.657 123.657 123.641 0.016 25488 11011 1 19 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.686 0.049 25488 11012 1 19 . 1 1 139 139 ALA H H 139 8.939 8.939 9.192 -0.253 25488 11013 1 19 . 1 1 140 140 ARG N N 140 118.688 118.688 119.709 -1.021 25488 11014 1 19 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.726 0.348 25488 11015 1 19 . 1 1 140 140 ARG H H 140 8.563 8.563 8.664 -0.101 25488 11016 1 19 . 1 1 141 141 GLY N N 141 108.964 108.964 109.071 -0.107 25488 11017 1 19 . 1 1 141 141 GLY H H 141 9.018 9.018 9.267 -0.249 25488 11018 1 19 . 1 1 143 143 HIS N N 143 120.218 120.218 116.027 4.191 25488 11019 1 19 . 1 1 143 143 HIS H H 143 8.998 8.998 8.036 0.962 25488 11020 1 19 . 1 1 145 145 ASP N N 145 117.684 117.684 122.434 -4.750 25488 11021 1 19 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.787 -0.087 25488 11022 1 19 . 1 1 145 145 ASP H H 145 7.088 7.088 8.109 -1.021 25488 11023 1 19 . 1 1 146 146 SER HA H 146 4.140 4.140 4.548 -0.408 25488 11024 1 19 . 1 1 146 146 SER H H 146 8.220 8.220 8.556 -0.336 25488 11025 1 19 . 1 1 147 147 TYR N N 147 120.867 120.867 118.948 1.919 25488 11026 1 19 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.267 0.521 25488 11027 1 19 . 1 1 147 147 TYR H H 147 7.459 7.459 8.389 -0.930 25488 11028 1 19 . 1 1 149 149 PHE N N 149 120.630 120.630 119.001 1.629 25488 11029 1 19 . 1 1 149 149 PHE H H 149 8.018 8.018 8.368 -0.350 25488 11030 1 19 . 1 1 150 150 ASP N N 150 115.626 115.626 116.840 -1.214 25488 11031 1 19 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.077 0.766 25488 11032 1 19 . 1 1 150 150 ASP H H 150 7.543 7.543 7.195 0.348 25488 11033 1 19 . 1 1 151 151 GLY N N 151 110.700 110.700 106.104 4.596 25488 11034 1 19 . 1 1 151 151 GLY H H 151 9.074 9.074 8.193 0.881 25488 11035 1 19 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.424 -0.398 25488 11036 1 19 . 1 1 153 153 GLY N N 153 118.786 118.786 114.511 4.275 25488 11037 1 19 . 1 1 153 153 GLY H H 153 11.385 11.385 8.373 3.012 25488 11038 1 19 . 1 1 154 154 ASN N N 154 120.613 120.613 118.160 2.453 25488 11039 1 19 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.419 -0.221 25488 11040 1 19 . 1 1 154 154 ASN H H 154 9.225 9.225 8.374 0.851 25488 11041 1 19 . 1 1 155 155 THR N N 155 118.700 118.700 114.691 4.009 25488 11042 1 19 . 1 1 155 155 THR HA H 155 5.542 5.542 4.341 1.201 25488 11043 1 19 . 1 1 155 155 THR H H 155 9.519 9.519 8.255 1.264 25488 11044 1 19 . 1 1 156 156 LEU N N 156 122.765 122.765 117.905 4.860 25488 11045 1 19 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.052 -0.110 25488 11046 1 19 . 1 1 156 156 LEU H H 156 8.500 8.500 8.354 0.146 25488 11047 1 19 . 1 1 157 157 ALA N N 157 115.545 115.545 120.872 -5.327 25488 11048 1 19 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.765 0.242 25488 11049 1 19 . 1 1 157 157 ALA H H 157 7.545 7.545 7.540 0.005 25488 11050 1 19 . 1 1 158 158 HIS N N 158 111.868 111.868 115.421 -3.553 25488 11051 1 19 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.649 -0.032 25488 11052 1 19 . 1 1 158 158 HIS H H 158 8.774 8.774 8.679 0.095 25488 11053 1 19 . 1 1 159 159 ALA N N 159 118.565 118.565 124.915 -6.350 25488 11054 1 19 . 1 1 159 159 ALA HA H 159 4.657 4.657 5.030 -0.373 25488 11055 1 19 . 1 1 159 159 ALA H H 159 6.114 6.114 8.043 -1.929 25488 11056 1 19 . 1 1 160 160 PHE N N 160 118.042 118.042 122.114 -4.072 25488 11057 1 19 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.655 -0.174 25488 11058 1 19 . 1 1 160 160 PHE H H 160 7.897 7.897 8.492 -0.595 25488 11059 1 19 . 1 1 161 161 ALA N N 161 123.548 123.548 125.922 -2.374 25488 11060 1 19 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.386 0.096 25488 11061 1 19 . 1 1 161 161 ALA H H 161 8.089 8.089 8.468 -0.379 25488 11062 1 19 . 1 1 162 162 PRO HA H 162 2.871 2.871 2.990 -0.119 25488 11063 1 19 . 1 1 163 163 GLY N N 163 107.255 107.255 108.889 -1.634 25488 11064 1 19 . 1 1 163 163 GLY H H 163 5.992 5.992 7.150 -1.158 25488 11065 1 19 . 1 1 165 165 GLY H H 165 9.149 9.149 8.291 0.858 25488 11066 1 19 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.203 -0.050 25488 11067 1 19 . 1 1 167 167 GLY N N 167 103.338 103.338 103.767 -0.429 25488 11068 1 19 . 1 1 167 167 GLY H H 167 7.774 7.774 7.083 0.691 25488 11069 1 19 . 1 1 168 168 GLY N N 168 121.031 121.031 107.684 13.347 25488 11070 1 19 . 1 1 168 168 GLY H H 168 7.685 7.685 8.160 -0.475 25488 11071 1 19 . 1 1 169 169 ASP N N 169 123.703 123.703 121.680 2.023 25488 11072 1 19 . 1 1 169 169 ASP H H 169 8.578 8.578 7.749 0.829 25488 11073 1 19 . 1 1 170 170 ALA N N 170 119.569 119.569 121.119 -1.550 25488 11074 1 19 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.862 -0.158 25488 11075 1 19 . 1 1 170 170 ALA H H 170 8.371 8.371 8.324 0.047 25488 11076 1 19 . 1 1 171 171 HIS N N 171 120.286 120.286 120.815 -0.529 25488 11077 1 19 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.040 0.690 25488 11078 1 19 . 1 1 171 171 HIS H H 171 8.513 8.513 8.506 0.007 25488 11079 1 19 . 1 1 172 172 PHE N N 172 120.919 120.919 123.409 -2.490 25488 11080 1 19 . 1 1 172 172 PHE H H 172 8.457 8.457 8.355 0.102 25488 11081 1 19 . 1 1 173 173 ASP N N 173 123.993 123.993 121.639 2.354 25488 11082 1 19 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.066 -1.170 25488 11083 1 19 . 1 1 173 173 ASP H H 173 7.915 7.915 8.540 -0.625 25488 11084 1 19 . 1 1 174 174 GLU N N 174 132.684 132.684 127.560 5.124 25488 11085 1 19 . 1 1 174 174 GLU H H 174 9.461 9.461 9.034 0.427 25488 11086 1 19 . 1 1 175 175 ASP N N 175 117.313 117.313 119.244 -1.931 25488 11087 1 19 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.715 0.082 25488 11088 1 19 . 1 1 175 175 ASP H H 175 8.756 8.756 8.219 0.537 25488 11089 1 19 . 1 1 176 176 GLU N N 176 116.511 116.511 119.361 -2.850 25488 11090 1 19 . 1 1 176 176 GLU H H 176 7.154 7.154 7.766 -0.612 25488 11091 1 19 . 1 1 177 177 ARG N N 177 121.920 121.920 125.624 -3.704 25488 11092 1 19 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.445 0.180 25488 11093 1 19 . 1 1 177 177 ARG H H 177 7.555 7.555 8.127 -0.572 25488 11094 1 19 . 1 1 178 178 TRP N N 178 129.182 129.182 125.457 3.725 25488 11095 1 19 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.456 -0.343 25488 11096 1 19 . 1 1 178 178 TRP H H 178 8.788 8.788 8.678 0.110 25488 11097 1 19 . 1 1 179 179 THR N N 179 112.874 112.874 112.172 0.702 25488 11098 1 19 . 1 1 179 179 THR HA H 179 5.015 5.015 4.705 0.310 25488 11099 1 19 . 1 1 179 179 THR H H 179 8.946 8.946 8.781 0.165 25488 11100 1 19 . 1 1 180 180 ASP N N 180 121.969 121.969 121.174 0.795 25488 11101 1 19 . 1 1 180 180 ASP HA H 180 4.422 4.422 5.011 -0.589 25488 11102 1 19 . 1 1 180 180 ASP H H 180 8.478 8.478 8.923 -0.445 25488 11103 1 19 . 1 1 181 181 GLY N N 181 110.059 110.059 108.212 1.847 25488 11104 1 19 . 1 1 181 181 GLY H H 181 8.572 8.572 8.440 0.132 25488 11105 1 19 . 1 1 182 182 SER N N 182 115.564 115.564 115.537 0.027 25488 11106 1 19 . 1 1 182 182 SER HA H 182 4.599 4.599 4.733 -0.134 25488 11107 1 19 . 1 1 182 182 SER H H 182 8.173 8.173 7.870 0.303 25488 11108 1 19 . 1 1 183 183 SER N N 183 117.066 117.066 115.425 1.641 25488 11109 1 19 . 1 1 183 183 SER H H 183 7.819 7.819 8.061 -0.242 25488 11110 1 19 . 1 1 184 184 LEU N N 184 121.954 121.954 118.044 3.910 25488 11111 1 19 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.561 -0.199 25488 11112 1 19 . 1 1 184 184 LEU H H 184 8.104 8.104 7.737 0.367 25488 11113 1 19 . 1 1 185 185 GLY N N 185 108.989 108.989 106.113 2.876 25488 11114 1 19 . 1 1 185 185 GLY H H 185 7.954 7.954 7.375 0.579 25488 11115 1 19 . 1 1 186 186 ILE N N 186 123.084 123.084 120.321 2.763 25488 11116 1 19 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.376 -0.597 25488 11117 1 19 . 1 1 186 186 ILE H H 186 8.878 8.878 7.895 0.983 25488 11118 1 19 . 1 1 187 187 ASN N N 187 126.999 126.999 125.906 1.093 25488 11119 1 19 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.868 -0.472 25488 11120 1 19 . 1 1 187 187 ASN H H 187 8.575 8.575 8.415 0.160 25488 11121 1 19 . 1 1 188 188 PHE N N 188 129.819 129.819 128.847 0.972 25488 11122 1 19 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.613 -0.022 25488 11123 1 19 . 1 1 188 188 PHE H H 188 9.365 9.365 8.659 0.706 25488 11124 1 19 . 1 1 189 189 LEU N N 189 119.292 119.292 121.317 -2.025 25488 11125 1 19 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.865 -0.032 25488 11126 1 19 . 1 1 189 189 LEU H H 189 8.551 8.551 8.274 0.277 25488 11127 1 19 . 1 1 191 191 ALA N N 191 120.347 120.347 123.258 -2.911 25488 11128 1 19 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.109 0.188 25488 11129 1 19 . 1 1 191 191 ALA H H 191 7.973 7.973 7.838 0.135 25488 11130 1 19 . 1 1 192 192 ALA N N 192 121.365 121.365 121.326 0.039 25488 11131 1 19 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.088 -0.071 25488 11132 1 19 . 1 1 192 192 ALA H H 192 9.258 9.258 8.627 0.631 25488 11133 1 19 . 1 1 193 193 THR N N 193 117.027 117.027 114.425 2.602 25488 11134 1 19 . 1 1 193 193 THR HA H 193 3.825 3.825 4.055 -0.230 25488 11135 1 19 . 1 1 193 193 THR H H 193 8.209 8.209 8.050 0.159 25488 11136 1 19 . 1 1 194 194 HIS N N 194 120.231 120.231 119.984 0.247 25488 11137 1 19 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.568 -0.335 25488 11138 1 19 . 1 1 194 194 HIS H H 194 7.805 7.805 7.642 0.163 25488 11139 1 19 . 1 1 195 195 ALA N N 195 121.346 121.346 122.078 -0.732 25488 11140 1 19 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.253 -0.073 25488 11141 1 19 . 1 1 195 195 ALA H H 195 8.693 8.693 7.931 0.762 25488 11142 1 19 . 1 1 196 196 LEU N N 196 114.951 114.951 114.786 0.165 25488 11143 1 19 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.376 -0.218 25488 11144 1 19 . 1 1 196 196 LEU H H 196 8.714 8.714 8.193 0.521 25488 11145 1 19 . 1 1 197 197 GLY N N 197 107.954 107.954 106.145 1.809 25488 11146 1 19 . 1 1 197 197 GLY H H 197 7.540 7.540 7.765 -0.225 25488 11147 1 19 . 1 1 198 198 HIS N N 198 121.996 121.996 121.341 0.655 25488 11148 1 19 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.358 0.451 25488 11149 1 19 . 1 1 198 198 HIS H H 198 7.205 7.205 7.421 -0.216 25488 11150 1 19 . 1 1 199 199 SER N N 199 118.570 118.570 115.043 3.527 25488 11151 1 19 . 1 1 199 199 SER HA H 199 4.448 4.448 4.456 -0.008 25488 11152 1 19 . 1 1 199 199 SER H H 199 7.886 7.886 8.311 -0.425 25488 11153 1 19 . 1 1 200 200 LEU N N 200 114.779 114.779 115.631 -0.852 25488 11154 1 19 . 1 1 200 200 LEU H H 200 7.106 7.106 7.087 0.019 25488 11155 1 19 . 1 1 201 201 GLY N N 201 108.350 108.350 106.861 1.489 25488 11156 1 19 . 1 1 201 201 GLY H H 201 8.213 8.213 7.929 0.284 25488 11157 1 19 . 1 1 202 202 MET N N 202 119.623 119.623 120.187 -0.564 25488 11158 1 19 . 1 1 202 202 MET HA H 202 4.484 4.484 4.559 -0.075 25488 11159 1 19 . 1 1 202 202 MET H H 202 8.189 8.189 7.365 0.824 25488 11160 1 19 . 1 1 203 203 GLY N N 203 109.770 109.770 108.055 1.715 25488 11161 1 19 . 1 1 203 203 GLY H H 203 8.413 8.413 8.259 0.154 25488 11162 1 19 . 1 1 204 204 HIS N N 204 115.793 115.793 117.443 -1.650 25488 11163 1 19 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.990 0.384 25488 11164 1 19 . 1 1 204 204 HIS H H 204 8.383 8.383 8.495 -0.112 25488 11165 1 19 . 1 1 205 205 SER N N 205 115.497 115.497 115.569 -0.072 25488 11166 1 19 . 1 1 205 205 SER HA H 205 4.721 4.721 4.719 0.002 25488 11167 1 19 . 1 1 205 205 SER H H 205 7.223 7.223 8.530 -1.307 25488 11168 1 19 . 1 1 206 206 SER N N 206 119.268 119.268 116.552 2.716 25488 11169 1 19 . 1 1 206 206 SER HA H 206 3.721 3.721 4.696 -0.975 25488 11170 1 19 . 1 1 206 206 SER H H 206 8.290 8.290 8.799 -0.509 25488 11171 1 19 . 1 1 207 207 ASP N N 207 126.656 126.656 123.202 3.454 25488 11172 1 19 . 1 1 207 207 ASP H H 207 8.541 8.541 7.576 0.965 25488 11173 1 19 . 1 1 209 209 ASN N N 209 115.911 115.911 115.072 0.839 25488 11174 1 19 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.498 0.118 25488 11175 1 19 . 1 1 209 209 ASN H H 209 8.374 8.374 7.890 0.484 25488 11176 1 19 . 1 1 210 210 ALA N N 210 124.929 124.929 121.976 2.953 25488 11177 1 19 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.367 -0.213 25488 11178 1 19 . 1 1 210 210 ALA H H 210 8.182 8.182 7.223 0.959 25488 11179 1 19 . 1 1 211 211 VAL N N 211 130.383 130.383 120.394 9.989 25488 11180 1 19 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.730 0.520 25488 11181 1 19 . 1 1 211 211 VAL H H 211 11.554 11.554 8.667 2.887 25488 11182 1 19 . 1 1 212 212 MET N N 212 113.319 113.319 116.893 -3.574 25488 11183 1 19 . 1 1 212 212 MET H H 212 7.741 7.741 8.143 -0.402 25488 11184 1 19 . 1 1 213 213 TYR N N 213 130.006 130.006 122.517 7.489 25488 11185 1 19 . 1 1 213 213 TYR H H 213 7.899 7.899 7.654 0.245 25488 11186 1 19 . 1 1 215 215 THR N N 215 104.747 104.747 110.125 -5.378 25488 11187 1 19 . 1 1 215 215 THR HA H 215 4.404 4.404 4.206 0.198 25488 11188 1 19 . 1 1 215 215 THR H H 215 6.402 6.402 7.910 -1.508 25488 11189 1 19 . 1 1 216 216 TYR N N 216 124.699 124.699 121.905 2.794 25488 11190 1 19 . 1 1 216 216 TYR H H 216 8.341 8.341 7.886 0.455 25488 11191 1 19 . 1 1 217 217 GLY N N 217 116.288 116.288 108.646 7.642 25488 11192 1 19 . 1 1 217 217 GLY H H 217 7.685 7.685 7.779 -0.094 25488 11193 1 19 . 1 1 218 218 ASN N N 218 119.920 119.920 116.507 3.413 25488 11194 1 19 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.885 -0.265 25488 11195 1 19 . 1 1 218 218 ASN H H 218 8.221 8.221 8.637 -0.416 25488 11196 1 19 . 1 1 219 219 GLY N N 219 109.601 109.601 107.479 2.122 25488 11197 1 19 . 1 1 219 219 GLY H H 219 8.072 8.072 7.909 0.163 25488 11198 1 19 . 1 1 220 220 ASP N N 220 123.006 123.006 120.721 2.285 25488 11199 1 19 . 1 1 220 220 ASP H H 220 8.280 8.280 8.225 0.055 25488 11200 1 19 . 1 1 222 222 GLN N N 222 116.642 116.642 122.596 -5.954 25488 11201 1 19 . 1 1 222 222 GLN H H 222 8.215 8.215 8.557 -0.342 25488 11202 1 19 . 1 1 223 223 ASN N N 223 118.361 118.361 118.266 0.095 25488 11203 1 19 . 1 1 223 223 ASN H H 223 7.970 7.970 8.270 -0.300 25488 11204 1 19 . 1 1 225 225 LYS N N 225 122.215 122.215 125.353 -3.138 25488 11205 1 19 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.529 -0.113 25488 11206 1 19 . 1 1 225 225 LYS H H 225 7.656 7.656 7.545 0.111 25488 11207 1 19 . 1 1 226 226 LEU N N 226 119.165 119.165 121.302 -2.137 25488 11208 1 19 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.560 -0.472 25488 11209 1 19 . 1 1 226 226 LEU H H 226 7.984 7.984 8.233 -0.249 25488 11210 1 19 . 1 1 227 227 SER N N 227 120.520 120.520 117.336 3.184 25488 11211 1 19 . 1 1 227 227 SER HA H 227 4.676 4.676 4.574 0.102 25488 11212 1 19 . 1 1 227 227 SER H H 227 9.646 9.646 8.491 1.155 25488 11213 1 19 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.296 0.378 25488 11214 1 19 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.423 -0.049 25488 11215 1 19 . 1 1 229 229 ASP H H 229 8.113 8.113 8.322 -0.209 25488 11216 1 19 . 1 1 230 230 ASP N N 230 119.878 119.878 117.848 2.030 25488 11217 1 19 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.549 -0.211 25488 11218 1 19 . 1 1 230 230 ASP H H 230 7.397 7.397 7.643 -0.246 25488 11219 1 19 . 1 1 231 231 ILE N N 231 120.389 120.389 118.933 1.456 25488 11220 1 19 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.992 -0.337 25488 11221 1 19 . 1 1 231 231 ILE H H 231 8.100 8.100 7.641 0.459 25488 11222 1 19 . 1 1 232 232 LYS N N 232 119.084 119.084 120.856 -1.772 25488 11223 1 19 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.002 0.093 25488 11224 1 19 . 1 1 232 232 LYS H H 232 8.581 8.581 7.943 0.638 25488 11225 1 19 . 1 1 233 233 GLY N N 233 106.424 106.424 106.651 -0.227 25488 11226 1 19 . 1 1 233 233 GLY H H 233 8.061 8.061 7.972 0.089 25488 11227 1 19 . 1 1 234 234 ILE N N 234 125.166 125.166 120.308 4.858 25488 11228 1 19 . 1 1 234 234 ILE H H 234 8.517 8.517 7.940 0.577 25488 11229 1 19 . 1 1 235 235 GLN N N 235 122.969 122.969 120.029 2.940 25488 11230 1 19 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.092 0.289 25488 11231 1 19 . 1 1 235 235 GLN H H 235 8.291 8.291 7.866 0.425 25488 11232 1 19 . 1 1 236 236 LYS N N 236 123.770 123.770 116.078 7.692 25488 11233 1 19 . 1 1 236 236 LYS H H 236 8.035 8.035 8.301 -0.266 25488 11234 1 19 . 1 1 237 237 LEU N N 237 116.854 116.854 118.230 -1.376 25488 11235 1 19 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.121 -0.162 25488 11236 1 19 . 1 1 237 237 LEU H H 237 6.886 6.886 7.295 -0.409 25488 11237 1 19 . 1 1 238 238 TYR N N 238 112.132 112.132 114.843 -2.711 25488 11238 1 19 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.630 -0.004 25488 11239 1 19 . 1 1 238 238 TYR H H 238 7.459 7.459 7.633 -0.174 25488 11240 1 19 . 1 1 239 239 GLY N N 239 110.898 110.898 107.999 2.899 25488 11241 1 19 . 1 1 239 239 GLY H H 239 8.442 8.442 7.970 0.472 25488 11242 1 19 . 1 1 240 240 LYS N N 240 114.400 114.400 120.297 -5.897 25488 11243 1 19 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.251 0.553 25488 11244 1 19 . 1 1 240 240 LYS H H 240 7.865 7.865 8.402 -0.537 25488 11245 1 19 . 1 1 241 241 ARG N N 241 123.851 123.851 122.273 1.578 25488 11246 1 19 . 1 1 241 241 ARG H H 241 7.760 7.760 8.791 -1.031 25488 11247 1 19 . 1 1 242 242 SER N N 242 135.647 135.647 115.824 19.823 25488 11248 1 19 . 1 1 242 242 SER H H 242 9.158 9.158 8.510 0.648 25488 11249 1 20 . 1 1 3 3 GLU N N 3 121.690 121.690 119.677 2.013 25488 11250 1 20 . 1 1 3 3 GLU H H 3 8.332 8.332 8.560 -0.228 25488 11251 1 20 . 1 1 4 4 ALA N N 4 124.526 124.526 122.928 1.598 25488 11252 1 20 . 1 1 4 4 ALA H H 4 8.111 8.111 7.845 0.266 25488 11253 1 20 . 1 1 5 5 GLY N N 5 108.229 108.229 106.519 1.710 25488 11254 1 20 . 1 1 5 5 GLY H H 5 8.286 8.286 7.703 0.583 25488 11255 1 20 . 1 1 6 6 GLY N N 6 108.867 108.867 107.802 1.065 25488 11256 1 20 . 1 1 6 6 GLY H H 6 8.239 8.239 8.028 0.211 25488 11257 1 20 . 1 1 7 7 MET N N 7 119.984 119.984 119.925 0.059 25488 11258 1 20 . 1 1 7 7 MET H H 7 8.044 8.044 7.490 0.554 25488 11259 1 20 . 1 1 8 8 SER N N 8 118.771 118.771 116.170 2.601 25488 11260 1 20 . 1 1 8 8 SER HA H 8 4.239 4.239 4.436 -0.197 25488 11261 1 20 . 1 1 8 8 SER H H 8 8.738 8.738 8.234 0.504 25488 11262 1 20 . 1 1 9 9 GLU N N 9 122.551 122.551 119.520 3.031 25488 11263 1 20 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.289 -0.037 25488 11264 1 20 . 1 1 9 9 GLU H H 9 8.919 8.919 8.703 0.216 25488 11265 1 20 . 1 1 10 10 LEU N N 10 120.638 120.638 119.914 0.724 25488 11266 1 20 . 1 1 10 10 LEU H H 10 8.017 8.017 8.137 -0.120 25488 11267 1 20 . 1 1 11 11 GLN N N 11 119.889 119.889 117.322 2.567 25488 11268 1 20 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.993 0.141 25488 11269 1 20 . 1 1 11 11 GLN H H 11 7.807 7.807 8.308 -0.501 25488 11270 1 20 . 1 1 12 12 TRP N N 12 120.951 120.951 122.121 -1.170 25488 11271 1 20 . 1 1 12 12 TRP H H 12 8.202 8.202 8.112 0.090 25488 11272 1 20 . 1 1 13 13 GLU N N 13 121.870 121.870 121.319 0.551 25488 11273 1 20 . 1 1 13 13 GLU H H 13 8.436 8.436 7.827 0.609 25488 11274 1 20 . 1 1 14 14 GLN N N 14 120.646 120.646 117.604 3.042 25488 11275 1 20 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.076 0.093 25488 11276 1 20 . 1 1 14 14 GLN H H 14 8.159 8.159 8.261 -0.102 25488 11277 1 20 . 1 1 15 15 ALA N N 15 123.216 123.216 121.892 1.324 25488 11278 1 20 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.962 0.376 25488 11279 1 20 . 1 1 15 15 ALA H H 15 8.355 8.355 7.427 0.928 25488 11280 1 20 . 1 1 16 16 GLN N N 16 117.766 117.766 117.766 0.000 25488 11281 1 20 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.014 -0.309 25488 11282 1 20 . 1 1 16 16 GLN H H 16 8.440 8.440 8.440 0.000 25488 11283 1 20 . 1 1 17 17 ASP N N 17 120.090 120.090 119.447 0.643 25488 11284 1 20 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.488 -0.025 25488 11285 1 20 . 1 1 17 17 ASP H H 17 7.899 7.899 8.540 -0.641 25488 11286 1 20 . 1 1 18 18 TYR N N 18 122.296 122.296 120.878 1.418 25488 11287 1 20 . 1 1 18 18 TYR H H 18 8.264 8.264 7.553 0.711 25488 11288 1 20 . 1 1 19 19 LEU N N 19 117.675 117.675 114.474 3.201 25488 11289 1 20 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.002 1.123 25488 11290 1 20 . 1 1 19 19 LEU H H 19 8.687 8.687 7.524 1.163 25488 11291 1 20 . 1 1 20 20 LYS N N 20 124.620 124.620 118.376 6.244 25488 11292 1 20 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.094 0.049 25488 11293 1 20 . 1 1 20 20 LYS H H 20 8.790 8.790 7.490 1.300 25488 11294 1 20 . 1 1 21 21 ARG N N 21 117.608 117.608 118.969 -1.361 25488 11295 1 20 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.136 -0.439 25488 11296 1 20 . 1 1 21 21 ARG H H 21 7.835 7.835 7.372 0.463 25488 11297 1 20 . 1 1 22 22 PHE N N 22 112.136 112.136 116.941 -4.805 25488 11298 1 20 . 1 1 22 22 PHE H H 22 8.003 8.003 7.649 0.354 25488 11299 1 20 . 1 1 23 23 TYR N N 23 116.244 116.244 116.662 -0.418 25488 11300 1 20 . 1 1 23 23 TYR H H 23 7.678 7.678 7.781 -0.103 25488 11301 1 20 . 1 1 24 24 LEU N N 24 115.582 115.582 119.895 -4.313 25488 11302 1 20 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.118 0.017 25488 11303 1 20 . 1 1 24 24 LEU H H 24 7.238 7.238 8.344 -1.106 25488 11304 1 20 . 1 1 25 25 TYR N N 25 119.996 119.996 118.474 1.522 25488 11305 1 20 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.882 -0.477 25488 11306 1 20 . 1 1 25 25 TYR H H 25 7.826 7.826 7.745 0.081 25488 11307 1 20 . 1 1 26 26 ASP N N 26 129.292 129.292 123.826 5.466 25488 11308 1 20 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.647 -0.186 25488 11309 1 20 . 1 1 26 26 ASP H H 26 8.121 8.121 7.983 0.138 25488 11310 1 20 . 1 1 28 28 GLU N N 28 122.115 122.115 121.359 0.756 25488 11311 1 20 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.114 0.167 25488 11312 1 20 . 1 1 28 28 GLU H H 28 8.262 8.262 7.638 0.624 25488 11313 1 20 . 1 1 29 29 THR N N 29 114.171 114.171 114.317 -0.146 25488 11314 1 20 . 1 1 29 29 THR HA H 29 4.222 4.222 4.177 0.045 25488 11315 1 20 . 1 1 29 29 THR H H 29 7.496 7.496 7.413 0.083 25488 11316 1 20 . 1 1 30 30 LYS N N 30 123.019 123.019 119.815 3.204 25488 11317 1 20 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.456 -0.238 25488 11318 1 20 . 1 1 30 30 LYS H H 30 8.154 8.154 7.426 0.728 25488 11319 1 20 . 1 1 32 32 ALA N N 32 126.481 126.481 128.206 -1.725 25488 11320 1 20 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.928 0.322 25488 11321 1 20 . 1 1 32 32 ALA H H 32 8.424 8.424 8.783 -0.359 25488 11322 1 20 . 1 1 33 33 ASN N N 33 116.834 116.834 114.861 1.973 25488 11323 1 20 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.619 0.079 25488 11324 1 20 . 1 1 33 33 ASN H H 33 8.312 8.312 8.356 -0.044 25488 11325 1 20 . 1 1 34 34 SER N N 34 116.960 116.960 117.378 -0.418 25488 11326 1 20 . 1 1 34 34 SER HA H 34 4.522 4.522 4.314 0.208 25488 11327 1 20 . 1 1 34 34 SER H H 34 8.112 8.112 7.742 0.370 25488 11328 1 20 . 1 1 35 35 LEU N N 35 125.335 125.335 121.750 3.585 25488 11329 1 20 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.186 -0.635 25488 11330 1 20 . 1 1 35 35 LEU H H 35 8.324 8.324 8.757 -0.433 25488 11331 1 20 . 1 1 36 36 GLU N N 36 119.302 119.302 120.488 -1.186 25488 11332 1 20 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.921 0.022 25488 11333 1 20 . 1 1 36 36 GLU H H 36 8.239 8.239 7.848 0.391 25488 11334 1 20 . 1 1 37 37 ALA N N 37 120.683 120.683 121.007 -0.324 25488 11335 1 20 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.137 -0.090 25488 11336 1 20 . 1 1 37 37 ALA H H 37 7.898 7.898 7.486 0.412 25488 11337 1 20 . 1 1 38 38 LYS N N 38 119.470 119.470 119.648 -0.178 25488 11338 1 20 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.005 0.328 25488 11339 1 20 . 1 1 38 38 LYS H H 38 8.217 8.217 7.962 0.255 25488 11340 1 20 . 1 1 39 39 LEU N N 39 122.664 122.664 119.375 3.289 25488 11341 1 20 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.008 -0.094 25488 11342 1 20 . 1 1 39 39 LEU H H 39 8.658 8.658 7.973 0.685 25488 11343 1 20 . 1 1 40 40 LYS N N 40 118.301 118.301 115.107 3.194 25488 11344 1 20 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.382 0.291 25488 11345 1 20 . 1 1 40 40 LYS H H 40 8.221 8.221 7.690 0.531 25488 11346 1 20 . 1 1 41 41 GLU N N 41 121.462 121.462 121.261 0.201 25488 11347 1 20 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.281 -0.213 25488 11348 1 20 . 1 1 41 41 GLU H H 41 7.736 7.736 7.664 0.072 25488 11349 1 20 . 1 1 42 42 MET N N 42 123.761 123.761 119.789 3.972 25488 11350 1 20 . 1 1 42 42 MET HA H 42 4.046 4.046 4.158 -0.112 25488 11351 1 20 . 1 1 42 42 MET H H 42 7.672 7.672 8.590 -0.918 25488 11352 1 20 . 1 1 43 43 GLN N N 43 120.035 120.035 117.630 2.405 25488 11353 1 20 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.103 -0.307 25488 11354 1 20 . 1 1 43 43 GLN H H 43 8.904 8.904 8.263 0.641 25488 11355 1 20 . 1 1 44 44 LYS N N 44 119.131 119.131 120.270 -1.139 25488 11356 1 20 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.064 -0.012 25488 11357 1 20 . 1 1 44 44 LYS H H 44 8.511 8.511 8.055 0.456 25488 11358 1 20 . 1 1 45 45 PHE N N 45 123.544 123.544 119.604 3.940 25488 11359 1 20 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.139 -0.289 25488 11360 1 20 . 1 1 45 45 PHE H H 45 8.438 8.438 7.632 0.806 25488 11361 1 20 . 1 1 46 46 PHE N N 46 112.789 112.789 114.864 -2.075 25488 11362 1 20 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.323 0.259 25488 11363 1 20 . 1 1 46 46 PHE H H 46 8.273 8.273 7.792 0.481 25488 11364 1 20 . 1 1 47 47 GLY N N 47 110.408 110.408 107.473 2.935 25488 11365 1 20 . 1 1 47 47 GLY H H 47 7.922 7.922 8.053 -0.131 25488 11366 1 20 . 1 1 48 48 LEU N N 48 121.853 121.853 122.760 -0.907 25488 11367 1 20 . 1 1 48 48 LEU H H 48 8.747 8.747 7.732 1.015 25488 11368 1 20 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.343 -0.142 25488 11369 1 20 . 1 1 50 50 ILE N N 50 127.000 127.000 121.331 5.669 25488 11370 1 20 . 1 1 50 50 ILE H H 50 8.529 8.529 7.484 1.045 25488 11371 1 20 . 1 1 51 51 THR N N 51 116.519 116.519 117.449 -0.930 25488 11372 1 20 . 1 1 51 51 THR H H 51 7.980 7.980 8.459 -0.479 25488 11373 1 20 . 1 1 52 52 GLY N N 52 112.725 112.725 115.063 -2.338 25488 11374 1 20 . 1 1 52 52 GLY H H 52 9.483 9.483 9.706 -0.223 25488 11375 1 20 . 1 1 53 53 MET N N 53 116.735 116.735 120.362 -3.627 25488 11376 1 20 . 1 1 53 53 MET HA H 53 4.044 4.044 4.595 -0.551 25488 11377 1 20 . 1 1 53 53 MET H H 53 7.969 7.969 7.748 0.221 25488 11378 1 20 . 1 1 54 54 LEU N N 54 122.602 122.602 126.604 -4.002 25488 11379 1 20 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.605 -0.899 25488 11380 1 20 . 1 1 54 54 LEU H H 54 7.926 7.926 8.490 -0.564 25488 11381 1 20 . 1 1 55 55 ASN N N 55 115.755 115.755 120.411 -4.656 25488 11382 1 20 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.850 -0.110 25488 11383 1 20 . 1 1 55 55 ASN H H 55 6.555 6.555 8.564 -2.009 25488 11384 1 20 . 1 1 56 56 SER N N 56 121.450 121.450 115.319 6.131 25488 11385 1 20 . 1 1 56 56 SER HA H 56 4.662 4.662 4.209 0.453 25488 11386 1 20 . 1 1 56 56 SER H H 56 8.205 8.205 8.859 -0.654 25488 11387 1 20 . 1 1 57 57 ARG N N 57 123.219 123.219 121.975 1.244 25488 11388 1 20 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.123 0.083 25488 11389 1 20 . 1 1 57 57 ARG H H 57 7.883 7.883 8.116 -0.233 25488 11390 1 20 . 1 1 58 58 VAL N N 58 118.843 118.843 119.357 -0.514 25488 11391 1 20 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.682 -0.382 25488 11392 1 20 . 1 1 58 58 VAL H H 58 7.594 7.594 7.408 0.186 25488 11393 1 20 . 1 1 59 59 ILE N N 59 119.212 119.212 117.873 1.339 25488 11394 1 20 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.635 -0.166 25488 11395 1 20 . 1 1 59 59 ILE H H 59 7.326 7.326 7.310 0.016 25488 11396 1 20 . 1 1 60 60 GLU N N 60 119.544 119.544 121.027 -1.483 25488 11397 1 20 . 1 1 60 60 GLU H H 60 7.880 7.880 7.687 0.193 25488 11398 1 20 . 1 1 61 61 ILE N N 61 118.812 118.812 112.800 6.012 25488 11399 1 20 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.530 -0.088 25488 11400 1 20 . 1 1 61 61 ILE H H 61 7.217 7.217 7.138 0.079 25488 11401 1 20 . 1 1 62 62 MET N N 62 120.202 120.202 117.780 2.422 25488 11402 1 20 . 1 1 62 62 MET HA H 62 3.419 3.419 4.222 -0.803 25488 11403 1 20 . 1 1 62 62 MET H H 62 7.820 7.820 7.317 0.503 25488 11404 1 20 . 1 1 63 63 GLN N N 63 116.274 116.274 115.676 0.598 25488 11405 1 20 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.001 0.240 25488 11406 1 20 . 1 1 63 63 GLN H H 63 7.442 7.442 7.438 0.004 25488 11407 1 20 . 1 1 64 64 LYS N N 64 121.450 121.450 121.550 -0.100 25488 11408 1 20 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.202 0.297 25488 11409 1 20 . 1 1 64 64 LYS H H 64 7.474 7.474 7.619 -0.145 25488 11410 1 20 . 1 1 66 66 ARG N N 66 113.173 113.173 120.737 -7.564 25488 11411 1 20 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.434 0.005 25488 11412 1 20 . 1 1 66 66 ARG H H 66 8.151 8.151 7.894 0.257 25488 11413 1 20 . 1 1 67 67 CYS N N 67 121.794 121.794 120.062 1.732 25488 11414 1 20 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.595 -0.175 25488 11415 1 20 . 1 1 67 67 CYS H H 67 7.709 7.709 8.490 -0.781 25488 11416 1 20 . 1 1 68 68 GLY N N 68 116.255 116.255 111.244 5.011 25488 11417 1 20 . 1 1 68 68 GLY H H 68 9.707 9.707 8.366 1.341 25488 11418 1 20 . 1 1 69 69 VAL N N 69 126.541 126.541 114.749 11.792 25488 11419 1 20 . 1 1 69 69 VAL HA H 69 3.807 3.807 3.811 -0.004 25488 11420 1 20 . 1 1 69 69 VAL H H 69 9.118 9.118 6.881 2.237 25488 11421 1 20 . 1 1 71 71 ASP N N 71 119.114 119.114 123.267 -4.153 25488 11422 1 20 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.705 -0.222 25488 11423 1 20 . 1 1 71 71 ASP H H 71 8.067 8.067 8.526 -0.459 25488 11424 1 20 . 1 1 72 72 VAL N N 72 112.988 112.988 118.598 -5.610 25488 11425 1 20 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.366 -0.085 25488 11426 1 20 . 1 1 72 72 VAL H H 72 6.438 6.438 7.240 -0.802 25488 11427 1 20 . 1 1 73 73 ALA N N 73 125.902 125.902 125.789 0.113 25488 11428 1 20 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.356 -0.089 25488 11429 1 20 . 1 1 73 73 ALA H H 73 8.171 8.171 8.427 -0.256 25488 11430 1 20 . 1 1 74 74 GLU N N 74 120.835 120.835 124.347 -3.512 25488 11431 1 20 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.502 -0.419 25488 11432 1 20 . 1 1 74 74 GLU H H 74 8.385 8.385 7.861 0.524 25488 11433 1 20 . 1 1 75 75 TYR N N 75 121.820 121.820 120.095 1.725 25488 11434 1 20 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.321 0.073 25488 11435 1 20 . 1 1 75 75 TYR H H 75 8.102 8.102 8.978 -0.876 25488 11436 1 20 . 1 1 76 76 SER N N 76 117.881 117.881 114.641 3.240 25488 11437 1 20 . 1 1 76 76 SER H H 76 7.718 7.718 8.481 -0.763 25488 11438 1 20 . 1 1 77 77 LEU N N 77 123.835 123.835 122.349 1.486 25488 11439 1 20 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.510 -0.418 25488 11440 1 20 . 1 1 77 77 LEU H H 77 8.033 8.033 7.833 0.200 25488 11441 1 20 . 1 1 78 78 PHE N N 78 118.893 118.893 120.709 -1.816 25488 11442 1 20 . 1 1 78 78 PHE HA H 78 4.845 4.845 5.030 -0.185 25488 11443 1 20 . 1 1 78 78 PHE H H 78 7.822 7.822 8.027 -0.205 25488 11444 1 20 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.213 0.118 25488 11445 1 20 . 1 1 80 80 ASN N N 80 118.184 118.184 121.638 -3.454 25488 11446 1 20 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.706 -0.026 25488 11447 1 20 . 1 1 80 80 ASN H H 80 8.106 8.106 8.273 -0.167 25488 11448 1 20 . 1 1 81 81 SER HA H 81 4.636 4.636 4.848 -0.212 25488 11449 1 20 . 1 1 83 83 LYS N N 83 114.696 114.696 118.465 -3.769 25488 11450 1 20 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.605 -0.382 25488 11451 1 20 . 1 1 83 83 LYS H H 83 7.361 7.361 7.953 -0.592 25488 11452 1 20 . 1 1 84 84 TRP N N 84 122.459 122.459 120.430 2.029 25488 11453 1 20 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.866 -0.863 25488 11454 1 20 . 1 1 84 84 TRP H H 84 8.020 8.020 8.421 -0.401 25488 11455 1 20 . 1 1 85 85 THR N N 85 113.482 113.482 115.722 -2.240 25488 11456 1 20 . 1 1 85 85 THR HA H 85 4.586 4.586 4.175 0.411 25488 11457 1 20 . 1 1 85 85 THR H H 85 8.833 8.833 8.594 0.239 25488 11458 1 20 . 1 1 86 86 SER N N 86 117.316 117.316 113.061 4.255 25488 11459 1 20 . 1 1 86 86 SER HA H 86 4.665 4.665 4.645 0.020 25488 11460 1 20 . 1 1 86 86 SER H H 86 7.724 7.724 7.399 0.325 25488 11461 1 20 . 1 1 87 87 LYS N N 87 120.411 120.411 122.787 -2.376 25488 11462 1 20 . 1 1 87 87 LYS HA H 87 4.139 4.139 3.979 0.160 25488 11463 1 20 . 1 1 87 87 LYS H H 87 8.312 8.312 8.499 -0.188 25488 11464 1 20 . 1 1 88 88 VAL N N 88 117.674 117.674 120.005 -2.331 25488 11465 1 20 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.529 0.122 25488 11466 1 20 . 1 1 88 88 VAL H H 88 7.425 7.425 7.252 0.173 25488 11467 1 20 . 1 1 89 89 VAL N N 89 131.493 131.493 128.049 3.444 25488 11468 1 20 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.572 -0.431 25488 11469 1 20 . 1 1 89 89 VAL H H 89 8.574 8.574 8.885 -0.311 25488 11470 1 20 . 1 1 90 90 THR N N 90 118.245 118.245 116.527 1.718 25488 11471 1 20 . 1 1 90 90 THR HA H 90 5.627 5.627 5.421 0.206 25488 11472 1 20 . 1 1 90 90 THR H H 90 9.021 9.021 8.646 0.375 25488 11473 1 20 . 1 1 91 91 TYR N N 91 118.267 118.267 116.928 1.339 25488 11474 1 20 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.662 0.012 25488 11475 1 20 . 1 1 91 91 TYR H H 91 8.555 8.555 8.999 -0.444 25488 11476 1 20 . 1 1 92 92 ARG N N 92 120.260 120.260 121.324 -1.064 25488 11477 1 20 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.026 -0.380 25488 11478 1 20 . 1 1 92 92 ARG H H 92 8.513 8.513 9.226 -0.713 25488 11479 1 20 . 1 1 93 93 ILE N N 93 128.361 128.361 125.344 3.017 25488 11480 1 20 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.651 -0.032 25488 11481 1 20 . 1 1 93 93 ILE H H 93 8.878 8.878 9.023 -0.145 25488 11482 1 20 . 1 1 94 94 VAL N N 94 126.374 126.374 122.501 3.873 25488 11483 1 20 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.566 -0.566 25488 11484 1 20 . 1 1 94 94 VAL H H 94 9.492 9.492 8.973 0.519 25488 11485 1 20 . 1 1 95 95 SER N N 95 113.303 113.303 115.737 -2.434 25488 11486 1 20 . 1 1 95 95 SER HA H 95 4.705 4.705 4.911 -0.206 25488 11487 1 20 . 1 1 95 95 SER H H 95 7.431 7.431 7.913 -0.482 25488 11488 1 20 . 1 1 96 96 TYR N N 96 117.054 117.054 120.054 -3.000 25488 11489 1 20 . 1 1 96 96 TYR H H 96 8.255 8.255 8.167 0.088 25488 11490 1 20 . 1 1 98 98 ARG N N 98 128.445 128.445 125.317 3.128 25488 11491 1 20 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.073 0.265 25488 11492 1 20 . 1 1 98 98 ARG H H 98 8.964 8.964 8.329 0.635 25488 11493 1 20 . 1 1 99 99 ASP N N 99 120.412 120.412 118.600 1.812 25488 11494 1 20 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.570 -0.235 25488 11495 1 20 . 1 1 99 99 ASP H H 99 8.695 8.695 8.266 0.429 25488 11496 1 20 . 1 1 100 100 LEU N N 100 116.851 116.851 120.713 -3.862 25488 11497 1 20 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.735 0.198 25488 11498 1 20 . 1 1 100 100 LEU H H 100 6.902 6.902 7.594 -0.692 25488 11499 1 20 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.160 0.007 25488 11500 1 20 . 1 1 103 103 ILE N N 103 115.469 115.469 114.538 0.931 25488 11501 1 20 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.769 0.404 25488 11502 1 20 . 1 1 103 103 ILE H H 103 8.296 8.296 7.901 0.395 25488 11503 1 20 . 1 1 104 104 THR N N 104 119.413 119.413 117.069 2.344 25488 11504 1 20 . 1 1 104 104 THR HA H 104 4.019 4.019 3.954 0.065 25488 11505 1 20 . 1 1 104 104 THR H H 104 6.915 6.915 7.754 -0.839 25488 11506 1 20 . 1 1 105 105 VAL N N 105 123.232 123.232 121.261 1.971 25488 11507 1 20 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.479 -0.065 25488 11508 1 20 . 1 1 105 105 VAL H H 105 7.379 7.379 7.116 0.263 25488 11509 1 20 . 1 1 106 106 ASP N N 106 120.160 120.160 119.829 0.331 25488 11510 1 20 . 1 1 106 106 ASP H H 106 8.615 8.615 7.708 0.907 25488 11511 1 20 . 1 1 107 107 ARG N N 107 121.041 121.041 117.403 3.638 25488 11512 1 20 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.069 0.021 25488 11513 1 20 . 1 1 107 107 ARG H H 107 8.372 8.372 8.390 -0.018 25488 11514 1 20 . 1 1 108 108 LEU N N 108 121.644 121.644 119.344 2.300 25488 11515 1 20 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.138 0.115 25488 11516 1 20 . 1 1 108 108 LEU H H 108 8.768 8.768 7.653 1.115 25488 11517 1 20 . 1 1 109 109 VAL N N 109 120.347 120.347 116.638 3.709 25488 11518 1 20 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.460 -0.089 25488 11519 1 20 . 1 1 109 109 VAL H H 109 8.762 8.762 8.596 0.166 25488 11520 1 20 . 1 1 110 110 SER N N 110 112.949 112.949 117.579 -4.630 25488 11521 1 20 . 1 1 110 110 SER HA H 110 4.270 4.270 3.977 0.293 25488 11522 1 20 . 1 1 110 110 SER H H 110 7.605 7.605 8.028 -0.423 25488 11523 1 20 . 1 1 111 111 LYS N N 111 122.434 122.434 121.280 1.154 25488 11524 1 20 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.047 -0.005 25488 11525 1 20 . 1 1 111 111 LYS H H 111 8.146 8.146 7.880 0.266 25488 11526 1 20 . 1 1 112 112 ALA N N 112 124.099 124.099 123.077 1.022 25488 11527 1 20 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.847 0.230 25488 11528 1 20 . 1 1 112 112 ALA H H 112 8.270 8.270 7.273 0.997 25488 11529 1 20 . 1 1 113 113 LEU N N 113 116.251 116.251 118.103 -1.852 25488 11530 1 20 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.702 0.020 25488 11531 1 20 . 1 1 113 113 LEU H H 113 8.019 8.019 7.546 0.473 25488 11532 1 20 . 1 1 114 114 ASN N N 114 116.659 116.659 116.388 0.271 25488 11533 1 20 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.578 -0.049 25488 11534 1 20 . 1 1 114 114 ASN H H 114 8.197 8.197 8.355 -0.158 25488 11535 1 20 . 1 1 115 115 MET N N 115 122.118 122.118 120.633 1.485 25488 11536 1 20 . 1 1 115 115 MET HA H 115 4.013 4.013 4.034 -0.021 25488 11537 1 20 . 1 1 115 115 MET H H 115 7.918 7.918 7.194 0.724 25488 11538 1 20 . 1 1 116 116 TRP N N 116 117.117 117.117 115.752 1.365 25488 11539 1 20 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.576 -0.066 25488 11540 1 20 . 1 1 116 116 TRP H H 116 6.773 6.773 7.345 -0.572 25488 11541 1 20 . 1 1 117 117 GLY N N 117 104.656 104.656 106.825 -2.169 25488 11542 1 20 . 1 1 117 117 GLY H H 117 9.305 9.305 8.516 0.789 25488 11543 1 20 . 1 1 118 118 LYS N N 118 118.567 118.567 119.969 -1.402 25488 11544 1 20 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.216 -0.039 25488 11545 1 20 . 1 1 118 118 LYS H H 118 7.947 7.947 7.758 0.189 25488 11546 1 20 . 1 1 119 119 GLU N N 119 113.899 113.899 118.136 -4.237 25488 11547 1 20 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.402 0.406 25488 11548 1 20 . 1 1 119 119 GLU H H 119 7.773 7.773 7.704 0.069 25488 11549 1 20 . 1 1 120 120 ILE N N 120 111.215 111.215 120.293 -9.078 25488 11550 1 20 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.715 0.606 25488 11551 1 20 . 1 1 120 120 ILE H H 120 7.528 7.528 8.095 -0.567 25488 11552 1 20 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.438 0.183 25488 11553 1 20 . 1 1 122 122 LEU N N 122 121.481 121.481 123.006 -1.525 25488 11554 1 20 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.423 -0.131 25488 11555 1 20 . 1 1 122 122 LEU H H 122 6.815 6.815 7.534 -0.719 25488 11556 1 20 . 1 1 123 123 HIS N N 123 120.769 120.769 123.364 -2.595 25488 11557 1 20 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.660 -0.068 25488 11558 1 20 . 1 1 123 123 HIS H H 123 7.709 7.709 8.584 -0.875 25488 11559 1 20 . 1 1 124 124 PHE N N 124 120.530 120.530 124.600 -4.070 25488 11560 1 20 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.419 0.393 25488 11561 1 20 . 1 1 124 124 PHE H H 124 8.306 8.306 8.773 -0.467 25488 11562 1 20 . 1 1 125 125 ARG N N 125 123.891 123.891 124.951 -1.060 25488 11563 1 20 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.772 -0.119 25488 11564 1 20 . 1 1 125 125 ARG H H 125 8.408 8.408 8.660 -0.252 25488 11565 1 20 . 1 1 126 126 LYS N N 126 130.178 130.178 124.917 5.261 25488 11566 1 20 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.995 -0.634 25488 11567 1 20 . 1 1 126 126 LYS H H 126 8.468 8.468 8.449 0.019 25488 11568 1 20 . 1 1 127 127 VAL N N 127 125.180 125.180 123.094 2.086 25488 11569 1 20 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.202 0.306 25488 11570 1 20 . 1 1 127 127 VAL H H 127 8.679 8.679 8.137 0.542 25488 11571 1 20 . 1 1 128 128 VAL N N 128 117.584 117.584 117.203 0.381 25488 11572 1 20 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.462 -0.176 25488 11573 1 20 . 1 1 128 128 VAL H H 128 8.469 8.469 7.992 0.477 25488 11574 1 20 . 1 1 129 129 TRP N N 129 119.805 119.805 119.168 0.637 25488 11575 1 20 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.945 -0.259 25488 11576 1 20 . 1 1 129 129 TRP H H 129 7.447 7.447 7.361 0.086 25488 11577 1 20 . 1 1 130 130 GLY N N 130 109.844 109.844 111.692 -1.848 25488 11578 1 20 . 1 1 130 130 GLY H H 130 8.072 8.072 8.218 -0.146 25488 11579 1 20 . 1 1 131 131 THR N N 131 116.125 116.125 113.243 2.882 25488 11580 1 20 . 1 1 131 131 THR HA H 131 4.123 4.123 4.348 -0.225 25488 11581 1 20 . 1 1 131 131 THR H H 131 8.196 8.196 8.125 0.071 25488 11582 1 20 . 1 1 132 132 ALA N N 132 129.613 129.613 127.686 1.927 25488 11583 1 20 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.457 0.054 25488 11584 1 20 . 1 1 132 132 ALA H H 132 7.919 7.919 8.240 -0.321 25488 11585 1 20 . 1 1 133 133 ASP N N 133 123.004 123.004 120.873 2.131 25488 11586 1 20 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.511 -0.069 25488 11587 1 20 . 1 1 133 133 ASP H H 133 8.248 8.248 8.567 -0.319 25488 11588 1 20 . 1 1 134 134 ILE N N 134 125.478 125.478 120.020 5.458 25488 11589 1 20 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.717 -0.624 25488 11590 1 20 . 1 1 134 134 ILE H H 134 8.804 8.804 7.584 1.220 25488 11591 1 20 . 1 1 135 135 MET N N 135 127.471 127.471 127.602 -0.131 25488 11592 1 20 . 1 1 135 135 MET HA H 135 5.194 5.194 5.034 0.160 25488 11593 1 20 . 1 1 135 135 MET H H 135 7.437 7.437 8.899 -1.462 25488 11594 1 20 . 1 1 136 136 ILE N N 136 125.040 125.040 125.622 -0.582 25488 11595 1 20 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.005 0.572 25488 11596 1 20 . 1 1 136 136 ILE H H 136 9.085 9.085 9.202 -0.117 25488 11597 1 20 . 1 1 137 137 GLY N N 137 112.059 112.059 113.261 -1.202 25488 11598 1 20 . 1 1 137 137 GLY H H 137 8.568 8.568 8.231 0.337 25488 11599 1 20 . 1 1 138 138 PHE N N 138 119.447 119.447 120.474 -1.027 25488 11600 1 20 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.483 -0.029 25488 11601 1 20 . 1 1 138 138 PHE H H 138 7.861 7.861 8.887 -1.026 25488 11602 1 20 . 1 1 139 139 ALA N N 139 123.657 123.657 125.782 -2.125 25488 11603 1 20 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.727 0.008 25488 11604 1 20 . 1 1 139 139 ALA H H 139 8.939 8.939 9.037 -0.098 25488 11605 1 20 . 1 1 140 140 ARG N N 140 118.688 118.688 119.609 -0.921 25488 11606 1 20 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.814 0.260 25488 11607 1 20 . 1 1 140 140 ARG H H 140 8.563 8.563 8.497 0.066 25488 11608 1 20 . 1 1 141 141 GLY N N 141 108.964 108.964 113.830 -4.866 25488 11609 1 20 . 1 1 141 141 GLY H H 141 9.018 9.018 9.048 -0.030 25488 11610 1 20 . 1 1 143 143 HIS N N 143 120.218 120.218 115.921 4.297 25488 11611 1 20 . 1 1 143 143 HIS H H 143 8.998 8.998 7.708 1.290 25488 11612 1 20 . 1 1 145 145 ASP N N 145 117.684 117.684 121.957 -4.273 25488 11613 1 20 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.864 -0.164 25488 11614 1 20 . 1 1 145 145 ASP H H 145 7.088 7.088 8.208 -1.120 25488 11615 1 20 . 1 1 146 146 SER HA H 146 4.140 4.140 4.508 -0.368 25488 11616 1 20 . 1 1 146 146 SER H H 146 8.220 8.220 8.598 -0.378 25488 11617 1 20 . 1 1 147 147 TYR N N 147 120.867 120.867 118.459 2.408 25488 11618 1 20 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.216 0.572 25488 11619 1 20 . 1 1 147 147 TYR H H 147 7.459 7.459 7.902 -0.443 25488 11620 1 20 . 1 1 149 149 PHE N N 149 120.630 120.630 119.742 0.888 25488 11621 1 20 . 1 1 149 149 PHE H H 149 8.018 8.018 8.517 -0.499 25488 11622 1 20 . 1 1 150 150 ASP N N 150 115.626 115.626 118.258 -2.632 25488 11623 1 20 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.076 0.767 25488 11624 1 20 . 1 1 150 150 ASP H H 150 7.543 7.543 6.901 0.642 25488 11625 1 20 . 1 1 151 151 GLY N N 151 110.700 110.700 109.385 1.315 25488 11626 1 20 . 1 1 151 151 GLY H H 151 9.074 9.074 8.023 1.051 25488 11627 1 20 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.430 -0.404 25488 11628 1 20 . 1 1 153 153 GLY N N 153 118.786 118.786 113.680 5.106 25488 11629 1 20 . 1 1 153 153 GLY H H 153 11.385 11.385 8.781 2.604 25488 11630 1 20 . 1 1 154 154 ASN N N 154 120.613 120.613 119.814 0.799 25488 11631 1 20 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.340 -0.142 25488 11632 1 20 . 1 1 154 154 ASN H H 154 9.225 9.225 8.365 0.860 25488 11633 1 20 . 1 1 155 155 THR N N 155 118.700 118.700 111.714 6.986 25488 11634 1 20 . 1 1 155 155 THR HA H 155 5.542 5.542 4.177 1.365 25488 11635 1 20 . 1 1 155 155 THR H H 155 9.519 9.519 8.391 1.128 25488 11636 1 20 . 1 1 156 156 LEU N N 156 122.765 122.765 116.169 6.596 25488 11637 1 20 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.818 0.124 25488 11638 1 20 . 1 1 156 156 LEU H H 156 8.500 8.500 8.271 0.229 25488 11639 1 20 . 1 1 157 157 ALA N N 157 115.545 115.545 121.007 -5.462 25488 11640 1 20 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.933 0.074 25488 11641 1 20 . 1 1 157 157 ALA H H 157 7.545 7.545 7.378 0.167 25488 11642 1 20 . 1 1 158 158 HIS N N 158 111.868 111.868 117.146 -5.278 25488 11643 1 20 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.654 -0.037 25488 11644 1 20 . 1 1 158 158 HIS H H 158 8.774 8.774 8.101 0.673 25488 11645 1 20 . 1 1 159 159 ALA N N 159 118.565 118.565 126.158 -7.593 25488 11646 1 20 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.544 0.113 25488 11647 1 20 . 1 1 159 159 ALA H H 159 6.114 6.114 7.879 -1.765 25488 11648 1 20 . 1 1 160 160 PHE N N 160 118.042 118.042 121.157 -3.115 25488 11649 1 20 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.885 -0.404 25488 11650 1 20 . 1 1 160 160 PHE H H 160 7.897 7.897 8.235 -0.338 25488 11651 1 20 . 1 1 161 161 ALA N N 161 123.548 123.548 124.507 -0.959 25488 11652 1 20 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.937 -0.454 25488 11653 1 20 . 1 1 161 161 ALA H H 161 8.089 8.089 8.511 -0.422 25488 11654 1 20 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.309 -0.438 25488 11655 1 20 . 1 1 163 163 GLY N N 163 107.255 107.255 110.624 -3.369 25488 11656 1 20 . 1 1 163 163 GLY H H 163 5.992 5.992 7.099 -1.107 25488 11657 1 20 . 1 1 165 165 GLY H H 165 9.149 9.149 8.436 0.713 25488 11658 1 20 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.173 -0.020 25488 11659 1 20 . 1 1 167 167 GLY N N 167 103.338 103.338 105.118 -1.780 25488 11660 1 20 . 1 1 167 167 GLY H H 167 7.774 7.774 7.655 0.119 25488 11661 1 20 . 1 1 168 168 GLY N N 168 121.031 121.031 114.435 6.596 25488 11662 1 20 . 1 1 168 168 GLY H H 168 7.685 7.685 7.917 -0.232 25488 11663 1 20 . 1 1 169 169 ASP N N 169 123.703 123.703 125.252 -1.549 25488 11664 1 20 . 1 1 169 169 ASP H H 169 8.578 8.578 7.938 0.640 25488 11665 1 20 . 1 1 170 170 ALA N N 170 119.569 119.569 125.173 -5.604 25488 11666 1 20 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.905 -0.201 25488 11667 1 20 . 1 1 170 170 ALA H H 170 8.371 8.371 8.353 0.018 25488 11668 1 20 . 1 1 171 171 HIS N N 171 120.286 120.286 121.303 -1.017 25488 11669 1 20 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.134 0.596 25488 11670 1 20 . 1 1 171 171 HIS H H 171 8.513 8.513 8.085 0.428 25488 11671 1 20 . 1 1 172 172 PHE N N 172 120.919 120.919 123.849 -2.930 25488 11672 1 20 . 1 1 172 172 PHE H H 172 8.457 8.457 8.968 -0.511 25488 11673 1 20 . 1 1 173 173 ASP N N 173 123.993 123.993 121.057 2.936 25488 11674 1 20 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.332 -1.436 25488 11675 1 20 . 1 1 173 173 ASP H H 173 7.915 7.915 8.573 -0.658 25488 11676 1 20 . 1 1 174 174 GLU N N 174 132.684 132.684 127.039 5.645 25488 11677 1 20 . 1 1 174 174 GLU H H 174 9.461 9.461 8.810 0.651 25488 11678 1 20 . 1 1 175 175 ASP N N 175 117.313 117.313 119.256 -1.943 25488 11679 1 20 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.647 0.150 25488 11680 1 20 . 1 1 175 175 ASP H H 175 8.756 8.756 8.548 0.208 25488 11681 1 20 . 1 1 176 176 GLU N N 176 116.511 116.511 119.825 -3.314 25488 11682 1 20 . 1 1 176 176 GLU H H 176 7.154 7.154 7.691 -0.537 25488 11683 1 20 . 1 1 177 177 ARG N N 177 121.920 121.920 123.230 -1.310 25488 11684 1 20 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.410 0.215 25488 11685 1 20 . 1 1 177 177 ARG H H 177 7.555 7.555 8.293 -0.738 25488 11686 1 20 . 1 1 178 178 TRP N N 178 129.182 129.182 125.171 4.011 25488 11687 1 20 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.521 -0.408 25488 11688 1 20 . 1 1 178 178 TRP H H 178 8.788 8.788 8.522 0.266 25488 11689 1 20 . 1 1 179 179 THR N N 179 112.874 112.874 112.616 0.258 25488 11690 1 20 . 1 1 179 179 THR HA H 179 5.015 5.015 4.696 0.319 25488 11691 1 20 . 1 1 179 179 THR H H 179 8.946 8.946 8.597 0.349 25488 11692 1 20 . 1 1 180 180 ASP N N 180 121.969 121.969 122.967 -0.998 25488 11693 1 20 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.840 -0.418 25488 11694 1 20 . 1 1 180 180 ASP H H 180 8.478 8.478 8.474 0.004 25488 11695 1 20 . 1 1 181 181 GLY N N 181 110.059 110.059 107.093 2.966 25488 11696 1 20 . 1 1 181 181 GLY H H 181 8.572 8.572 8.209 0.363 25488 11697 1 20 . 1 1 182 182 SER N N 182 115.564 115.564 115.760 -0.196 25488 11698 1 20 . 1 1 182 182 SER HA H 182 4.599 4.599 4.535 0.064 25488 11699 1 20 . 1 1 182 182 SER H H 182 8.173 8.173 7.827 0.346 25488 11700 1 20 . 1 1 183 183 SER N N 183 117.066 117.066 113.822 3.244 25488 11701 1 20 . 1 1 183 183 SER H H 183 7.819 7.819 8.061 -0.242 25488 11702 1 20 . 1 1 184 184 LEU N N 184 121.954 121.954 119.004 2.950 25488 11703 1 20 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.385 -0.023 25488 11704 1 20 . 1 1 184 184 LEU H H 184 8.104 8.104 8.048 0.056 25488 11705 1 20 . 1 1 185 185 GLY N N 185 108.989 108.989 105.953 3.036 25488 11706 1 20 . 1 1 185 185 GLY H H 185 7.954 7.954 7.425 0.529 25488 11707 1 20 . 1 1 186 186 ILE N N 186 123.084 123.084 119.099 3.985 25488 11708 1 20 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.413 -0.634 25488 11709 1 20 . 1 1 186 186 ILE H H 186 8.878 8.878 8.208 0.670 25488 11710 1 20 . 1 1 187 187 ASN N N 187 126.999 126.999 122.772 4.227 25488 11711 1 20 . 1 1 187 187 ASN HA H 187 4.396 4.396 5.006 -0.610 25488 11712 1 20 . 1 1 187 187 ASN H H 187 8.575 8.575 8.672 -0.097 25488 11713 1 20 . 1 1 188 188 PHE N N 188 129.819 129.819 128.294 1.525 25488 11714 1 20 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.305 0.286 25488 11715 1 20 . 1 1 188 188 PHE H H 188 9.365 9.365 8.198 1.167 25488 11716 1 20 . 1 1 189 189 LEU N N 189 119.292 119.292 121.556 -2.264 25488 11717 1 20 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.682 0.151 25488 11718 1 20 . 1 1 189 189 LEU H H 189 8.551 8.551 7.976 0.575 25488 11719 1 20 . 1 1 191 191 ALA N N 191 120.347 120.347 119.523 0.824 25488 11720 1 20 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.139 0.158 25488 11721 1 20 . 1 1 191 191 ALA H H 191 7.973 7.973 7.166 0.807 25488 11722 1 20 . 1 1 192 192 ALA N N 192 121.365 121.365 122.154 -0.789 25488 11723 1 20 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.148 -0.131 25488 11724 1 20 . 1 1 192 192 ALA H H 192 9.258 9.258 8.235 1.023 25488 11725 1 20 . 1 1 193 193 THR N N 193 117.027 117.027 113.377 3.650 25488 11726 1 20 . 1 1 193 193 THR HA H 193 3.825 3.825 3.857 -0.032 25488 11727 1 20 . 1 1 193 193 THR H H 193 8.209 8.209 7.699 0.510 25488 11728 1 20 . 1 1 194 194 HIS N N 194 120.231 120.231 121.965 -1.734 25488 11729 1 20 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.308 -0.075 25488 11730 1 20 . 1 1 194 194 HIS H H 194 7.805 7.805 7.956 -0.151 25488 11731 1 20 . 1 1 195 195 ALA N N 195 121.346 121.346 121.657 -0.311 25488 11732 1 20 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.974 0.206 25488 11733 1 20 . 1 1 195 195 ALA H H 195 8.693 8.693 8.205 0.488 25488 11734 1 20 . 1 1 196 196 LEU N N 196 114.951 114.951 114.197 0.754 25488 11735 1 20 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.403 -0.245 25488 11736 1 20 . 1 1 196 196 LEU H H 196 8.714 8.714 8.283 0.431 25488 11737 1 20 . 1 1 197 197 GLY N N 197 107.954 107.954 105.665 2.289 25488 11738 1 20 . 1 1 197 197 GLY H H 197 7.540 7.540 7.961 -0.421 25488 11739 1 20 . 1 1 198 198 HIS N N 198 121.996 121.996 121.005 0.991 25488 11740 1 20 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.331 0.478 25488 11741 1 20 . 1 1 198 198 HIS H H 198 7.205 7.205 7.534 -0.329 25488 11742 1 20 . 1 1 199 199 SER N N 199 118.570 118.570 115.315 3.255 25488 11743 1 20 . 1 1 199 199 SER HA H 199 4.448 4.448 4.550 -0.102 25488 11744 1 20 . 1 1 199 199 SER H H 199 7.886 7.886 8.351 -0.465 25488 11745 1 20 . 1 1 200 200 LEU N N 200 114.779 114.779 116.673 -1.894 25488 11746 1 20 . 1 1 200 200 LEU H H 200 7.106 7.106 7.533 -0.427 25488 11747 1 20 . 1 1 201 201 GLY N N 201 108.350 108.350 105.694 2.656 25488 11748 1 20 . 1 1 201 201 GLY H H 201 8.213 8.213 7.850 0.363 25488 11749 1 20 . 1 1 202 202 MET N N 202 119.623 119.623 121.434 -1.811 25488 11750 1 20 . 1 1 202 202 MET HA H 202 4.484 4.484 4.517 -0.033 25488 11751 1 20 . 1 1 202 202 MET H H 202 8.189 8.189 7.641 0.548 25488 11752 1 20 . 1 1 203 203 GLY N N 203 109.770 109.770 110.296 -0.526 25488 11753 1 20 . 1 1 203 203 GLY H H 203 8.413 8.413 8.456 -0.043 25488 11754 1 20 . 1 1 204 204 HIS N N 204 115.793 115.793 118.123 -2.330 25488 11755 1 20 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.745 0.629 25488 11756 1 20 . 1 1 204 204 HIS H H 204 8.383 8.383 8.402 -0.019 25488 11757 1 20 . 1 1 205 205 SER N N 205 115.497 115.497 114.957 0.540 25488 11758 1 20 . 1 1 205 205 SER HA H 205 4.721 4.721 4.692 0.029 25488 11759 1 20 . 1 1 205 205 SER H H 205 7.223 7.223 8.371 -1.148 25488 11760 1 20 . 1 1 206 206 SER N N 206 119.268 119.268 114.736 4.532 25488 11761 1 20 . 1 1 206 206 SER HA H 206 3.721 3.721 4.639 -0.918 25488 11762 1 20 . 1 1 206 206 SER H H 206 8.290 8.290 8.590 -0.300 25488 11763 1 20 . 1 1 207 207 ASP N N 207 126.656 126.656 121.833 4.823 25488 11764 1 20 . 1 1 207 207 ASP H H 207 8.541 8.541 7.823 0.718 25488 11765 1 20 . 1 1 209 209 ASN N N 209 115.911 115.911 116.535 -0.624 25488 11766 1 20 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.656 -0.040 25488 11767 1 20 . 1 1 209 209 ASN H H 209 8.374 8.374 8.592 -0.218 25488 11768 1 20 . 1 1 210 210 ALA N N 210 124.929 124.929 123.163 1.766 25488 11769 1 20 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.659 -0.505 25488 11770 1 20 . 1 1 210 210 ALA H H 210 8.182 8.182 7.227 0.955 25488 11771 1 20 . 1 1 211 211 VAL N N 211 130.383 130.383 121.267 9.116 25488 11772 1 20 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.990 0.260 25488 11773 1 20 . 1 1 211 211 VAL H H 211 11.554 11.554 8.929 2.625 25488 11774 1 20 . 1 1 212 212 MET N N 212 113.319 113.319 113.788 -0.469 25488 11775 1 20 . 1 1 212 212 MET H H 212 7.741 7.741 7.932 -0.191 25488 11776 1 20 . 1 1 213 213 TYR N N 213 130.006 130.006 123.286 6.720 25488 11777 1 20 . 1 1 213 213 TYR H H 213 7.899 7.899 7.378 0.521 25488 11778 1 20 . 1 1 215 215 THR N N 215 104.747 104.747 110.618 -5.871 25488 11779 1 20 . 1 1 215 215 THR HA H 215 4.404 4.404 4.375 0.029 25488 11780 1 20 . 1 1 215 215 THR H H 215 6.402 6.402 7.356 -0.954 25488 11781 1 20 . 1 1 216 216 TYR N N 216 124.699 124.699 121.583 3.116 25488 11782 1 20 . 1 1 216 216 TYR H H 216 8.341 8.341 7.526 0.815 25488 11783 1 20 . 1 1 217 217 GLY N N 217 116.288 116.288 109.388 6.900 25488 11784 1 20 . 1 1 217 217 GLY H H 217 7.685 7.685 8.837 -1.152 25488 11785 1 20 . 1 1 218 218 ASN N N 218 119.920 119.920 118.042 1.878 25488 11786 1 20 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.972 -0.352 25488 11787 1 20 . 1 1 218 218 ASN H H 218 8.221 8.221 8.556 -0.335 25488 11788 1 20 . 1 1 219 219 GLY N N 219 109.601 109.601 108.729 0.872 25488 11789 1 20 . 1 1 219 219 GLY H H 219 8.072 8.072 8.067 0.005 25488 11790 1 20 . 1 1 220 220 ASP N N 220 123.006 123.006 118.008 4.998 25488 11791 1 20 . 1 1 220 220 ASP H H 220 8.280 8.280 8.167 0.113 25488 11792 1 20 . 1 1 222 222 GLN N N 222 116.642 116.642 121.724 -5.082 25488 11793 1 20 . 1 1 222 222 GLN H H 222 8.215 8.215 8.570 -0.355 25488 11794 1 20 . 1 1 223 223 ASN N N 223 118.361 118.361 119.161 -0.800 25488 11795 1 20 . 1 1 223 223 ASN H H 223 7.970 7.970 8.318 -0.348 25488 11796 1 20 . 1 1 225 225 LYS N N 225 122.215 122.215 120.702 1.513 25488 11797 1 20 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.635 -0.219 25488 11798 1 20 . 1 1 225 225 LYS H H 225 7.656 7.656 8.558 -0.902 25488 11799 1 20 . 1 1 226 226 LEU N N 226 119.165 119.165 124.263 -5.098 25488 11800 1 20 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.579 -0.491 25488 11801 1 20 . 1 1 226 226 LEU H H 226 7.984 7.984 8.517 -0.533 25488 11802 1 20 . 1 1 227 227 SER N N 227 120.520 120.520 117.409 3.111 25488 11803 1 20 . 1 1 227 227 SER HA H 227 4.676 4.676 4.578 0.098 25488 11804 1 20 . 1 1 227 227 SER H H 227 9.646 9.646 8.804 0.842 25488 11805 1 20 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.241 0.433 25488 11806 1 20 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.437 -0.063 25488 11807 1 20 . 1 1 229 229 ASP H H 229 8.113 8.113 8.565 -0.452 25488 11808 1 20 . 1 1 230 230 ASP N N 230 119.878 119.878 119.453 0.425 25488 11809 1 20 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.527 -0.189 25488 11810 1 20 . 1 1 230 230 ASP H H 230 7.397 7.397 7.367 0.030 25488 11811 1 20 . 1 1 231 231 ILE N N 231 120.389 120.389 120.242 0.147 25488 11812 1 20 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.897 -0.242 25488 11813 1 20 . 1 1 231 231 ILE H H 231 8.100 8.100 7.479 0.621 25488 11814 1 20 . 1 1 232 232 LYS N N 232 119.084 119.084 121.156 -2.072 25488 11815 1 20 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.874 0.221 25488 11816 1 20 . 1 1 232 232 LYS H H 232 8.581 8.581 8.144 0.437 25488 11817 1 20 . 1 1 233 233 GLY N N 233 106.424 106.424 105.353 1.071 25488 11818 1 20 . 1 1 233 233 GLY H H 233 8.061 8.061 8.153 -0.092 25488 11819 1 20 . 1 1 234 234 ILE N N 234 125.166 125.166 119.460 5.706 25488 11820 1 20 . 1 1 234 234 ILE H H 234 8.517 8.517 7.670 0.847 25488 11821 1 20 . 1 1 235 235 GLN N N 235 122.969 122.969 121.781 1.188 25488 11822 1 20 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.959 0.422 25488 11823 1 20 . 1 1 235 235 GLN H H 235 8.291 8.291 8.800 -0.509 25488 11824 1 20 . 1 1 236 236 LYS N N 236 123.770 123.770 117.166 6.604 25488 11825 1 20 . 1 1 236 236 LYS H H 236 8.035 8.035 7.574 0.461 25488 11826 1 20 . 1 1 237 237 LEU N N 237 116.854 116.854 118.202 -1.348 25488 11827 1 20 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.998 -0.039 25488 11828 1 20 . 1 1 237 237 LEU H H 237 6.886 6.886 7.295 -0.409 25488 11829 1 20 . 1 1 238 238 TYR N N 238 112.132 112.132 115.433 -3.301 25488 11830 1 20 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.627 -0.001 25488 11831 1 20 . 1 1 238 238 TYR H H 238 7.459 7.459 7.426 0.033 25488 11832 1 20 . 1 1 239 239 GLY N N 239 110.898 110.898 106.455 4.443 25488 11833 1 20 . 1 1 239 239 GLY H H 239 8.442 8.442 8.192 0.250 25488 11834 1 20 . 1 1 240 240 LYS N N 240 114.400 114.400 120.379 -5.979 25488 11835 1 20 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.650 0.154 25488 11836 1 20 . 1 1 240 240 LYS H H 240 7.865 7.865 8.264 -0.399 25488 11837 1 20 . 1 1 241 241 ARG N N 241 123.851 123.851 121.856 1.995 25488 11838 1 20 . 1 1 241 241 ARG H H 241 7.760 7.760 8.530 -0.770 25488 11839 1 20 . 1 1 242 242 SER N N 242 135.647 135.647 116.461 19.186 25488 11840 1 20 . 1 1 242 242 SER H H 242 9.158 9.158 8.432 0.726 25488 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 212 3.589 -0.647 3.539 25488 2 1 1 "Average Difference" HA 205 0.369 0.028 0.369 25488 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25488 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25488 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25488 6 1 1 "Average Difference" HN 215 0.689 -0.075 0.686 25488 7 1 2 "Average Difference" N 212 3.569 -0.653 3.517 25488 8 1 2 "Average Difference" HA 205 0.375 0.046 0.373 25488 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25488 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25488 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25488 12 1 2 "Average Difference" HN 215 0.687 -0.085 0.684 25488 13 1 3 "Average Difference" N 212 3.565 -0.449 3.545 25488 14 1 3 "Average Difference" HA 205 0.375 0.016 0.376 25488 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25488 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25488 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25488 18 1 3 "Average Difference" HN 215 0.691 -0.080 0.688 25488 19 1 4 "Average Difference" N 212 3.649 -0.710 3.588 25488 20 1 4 "Average Difference" HA 205 0.370 0.043 0.368 25488 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25488 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25488 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25488 24 1 4 "Average Difference" HN 215 0.676 -0.078 0.673 25488 25 1 5 "Average Difference" N 212 3.639 -0.563 3.604 25488 26 1 5 "Average Difference" HA 205 0.375 0.043 0.373 25488 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25488 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25488 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25488 30 1 5 "Average Difference" HN 215 0.684 -0.056 0.683 25488 31 1 6 "Average Difference" N 212 3.528 -0.621 3.481 25488 32 1 6 "Average Difference" HA 205 0.381 0.024 0.381 25488 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25488 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25488 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25488 36 1 6 "Average Difference" HN 215 0.675 -0.057 0.674 25488 37 1 7 "Average Difference" N 212 3.545 -0.564 3.508 25488 38 1 7 "Average Difference" HA 205 0.371 0.049 0.369 25488 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25488 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25488 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25488 42 1 7 "Average Difference" HN 215 0.698 -0.087 0.695 25488 43 1 8 "Average Difference" N 212 3.913 -0.670 3.864 25488 44 1 8 "Average Difference" HA 205 0.371 0.041 0.370 25488 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25488 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25488 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25488 48 1 8 "Average Difference" HN 215 0.639 -0.105 0.632 25488 49 1 9 "Average Difference" N 212 3.480 -0.744 3.408 25488 50 1 9 "Average Difference" HA 205 0.399 0.017 0.400 25488 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25488 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25488 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25488 54 1 9 "Average Difference" HN 215 0.692 -0.108 0.685 25488 55 1 10 "Average Difference" N 212 3.602 -0.584 3.562 25488 56 1 10 "Average Difference" HA 205 0.387 0.036 0.386 25488 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25488 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25488 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25488 60 1 10 "Average Difference" HN 215 0.651 -0.082 0.647 25488 61 1 11 "Average Difference" N 212 3.620 -0.625 3.574 25488 62 1 11 "Average Difference" HA 205 0.367 0.050 0.365 25488 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25488 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25488 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25488 66 1 11 "Average Difference" HN 215 0.664 -0.075 0.661 25488 67 1 12 "Average Difference" N 212 3.516 -0.664 3.461 25488 68 1 12 "Average Difference" HA 205 0.359 0.038 0.358 25488 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25488 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25488 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25488 72 1 12 "Average Difference" HN 215 0.680 -0.089 0.676 25488 73 1 13 "Average Difference" N 212 3.647 -0.661 3.595 25488 74 1 13 "Average Difference" HA 205 0.368 0.047 0.366 25488 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25488 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25488 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25488 78 1 13 "Average Difference" HN 215 0.705 -0.054 0.704 25488 79 1 14 "Average Difference" N 212 3.691 -0.528 3.661 25488 80 1 14 "Average Difference" HA 205 0.380 0.044 0.378 25488 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25488 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25488 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25488 84 1 14 "Average Difference" HN 215 0.649 -0.077 0.646 25488 85 1 15 "Average Difference" N 212 3.716 -0.564 3.682 25488 86 1 15 "Average Difference" HA 205 0.383 0.027 0.383 25488 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25488 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25488 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25488 90 1 15 "Average Difference" HN 215 0.679 -0.094 0.674 25488 91 1 16 "Average Difference" N 212 3.652 -0.567 3.616 25488 92 1 16 "Average Difference" HA 205 0.370 0.022 0.370 25488 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25488 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25488 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25488 96 1 16 "Average Difference" HN 215 0.663 -0.057 0.662 25488 97 1 17 "Average Difference" N 212 3.646 -0.632 3.599 25488 98 1 17 "Average Difference" HA 205 0.373 0.054 0.370 25488 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25488 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25488 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25488 102 1 17 "Average Difference" HN 215 0.686 -0.085 0.682 25488 103 1 18 "Average Difference" N 212 3.588 -0.749 3.517 25488 104 1 18 "Average Difference" HA 205 0.384 0.015 0.385 25488 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25488 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25488 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25488 108 1 18 "Average Difference" HN 215 0.670 -0.109 0.663 25488 109 1 19 "Average Difference" N 212 3.697 -0.653 3.648 25488 110 1 19 "Average Difference" HA 205 0.373 0.043 0.372 25488 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25488 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25488 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25488 114 1 19 "Average Difference" HN 215 0.690 -0.061 0.689 25488 115 1 20 "Average Difference" N 212 3.583 -0.620 3.537 25488 116 1 20 "Average Difference" HA 205 0.375 0.033 0.374 25488 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25488 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25488 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25488 120 1 20 "Average Difference" HN 215 0.664 -0.087 0.660 25488 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 25488 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 GLU N N 3 121.690 121.690 122.615 -0.925 25488 2 1 . 1 1 3 3 GLU H H 3 8.332 8.332 8.694 -0.362 25488 3 1 . 1 1 4 4 ALA N N 4 124.526 124.526 120.048 4.478 25488 4 1 . 1 1 4 4 ALA H H 4 8.111 8.111 8.167 -0.056 25488 5 1 . 1 1 5 5 GLY N N 5 108.229 108.229 105.122 3.107 25488 6 1 . 1 1 5 5 GLY H H 5 8.286 8.286 7.807 0.479 25488 7 1 . 1 1 6 6 GLY N N 6 108.867 108.867 108.180 0.687 25488 8 1 . 1 1 6 6 GLY H H 6 8.239 8.239 7.813 0.426 25488 9 1 . 1 1 7 7 MET N N 7 119.984 119.984 120.543 -0.559 25488 10 1 . 1 1 7 7 MET H H 7 8.044 8.044 7.575 0.469 25488 11 1 . 1 1 8 8 SER N N 8 118.771 118.771 117.087 1.684 25488 12 1 . 1 1 8 8 SER HA H 8 4.239 4.239 4.506 -0.267 25488 13 1 . 1 1 8 8 SER H H 8 8.738 8.738 8.293 0.445 25488 14 1 . 1 1 9 9 GLU N N 9 122.551 122.551 121.560 0.991 25488 15 1 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.216 0.036 25488 16 1 . 1 1 9 9 GLU H H 9 8.919 8.919 9.003 -0.084 25488 17 1 . 1 1 10 10 LEU N N 10 120.638 120.638 119.101 1.537 25488 18 1 . 1 1 10 10 LEU H H 10 8.017 8.017 7.969 0.047 25488 19 1 . 1 1 11 11 GLN N N 11 119.889 119.889 118.416 1.473 25488 20 1 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.990 0.144 25488 21 1 . 1 1 11 11 GLN H H 11 7.807 7.807 8.085 -0.278 25488 22 1 . 1 1 12 12 TRP N N 12 120.951 120.951 122.102 -1.151 25488 23 1 . 1 1 12 12 TRP H H 12 8.202 8.202 8.085 0.117 25488 24 1 . 1 1 13 13 GLU N N 13 121.870 121.870 119.178 2.692 25488 25 1 . 1 1 13 13 GLU H H 13 8.436 8.436 8.137 0.299 25488 26 1 . 1 1 14 14 GLN N N 14 120.646 120.646 118.094 2.552 25488 27 1 . 1 1 14 14 GLN HA H 14 4.169 4.169 4.132 0.037 25488 28 1 . 1 1 14 14 GLN H H 14 8.159 8.159 7.866 0.293 25488 29 1 . 1 1 15 15 ALA N N 15 123.216 123.216 122.602 0.614 25488 30 1 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.118 0.220 25488 31 1 . 1 1 15 15 ALA H H 15 8.355 8.355 7.897 0.458 25488 32 1 . 1 1 16 16 GLN N N 16 117.766 117.766 117.422 0.344 25488 33 1 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.988 -0.283 25488 34 1 . 1 1 16 16 GLN H H 16 8.440 8.440 8.094 0.346 25488 35 1 . 1 1 17 17 ASP N N 17 120.090 120.090 119.657 0.433 25488 36 1 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.369 0.094 25488 37 1 . 1 1 17 17 ASP H H 17 7.899 7.899 7.936 -0.037 25488 38 1 . 1 1 18 18 TYR N N 18 122.296 122.296 119.864 2.432 25488 39 1 . 1 1 18 18 TYR H H 18 8.264 8.264 7.596 0.668 25488 40 1 . 1 1 19 19 LEU N N 19 117.675 117.675 117.523 0.152 25488 41 1 . 1 1 19 19 LEU HA H 19 4.125 4.125 3.108 1.017 25488 42 1 . 1 1 19 19 LEU H H 19 8.687 8.687 7.703 0.984 25488 43 1 . 1 1 20 20 LYS N N 20 124.620 124.620 117.409 7.211 25488 44 1 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.076 0.067 25488 45 1 . 1 1 20 20 LYS H H 20 8.790 8.790 7.382 1.408 25488 46 1 . 1 1 21 21 ARG N N 21 117.608 117.608 118.153 -0.545 25488 47 1 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.013 -0.316 25488 48 1 . 1 1 21 21 ARG H H 21 7.835 7.835 7.188 0.647 25488 49 1 . 1 1 22 22 PHE N N 22 112.136 112.136 116.238 -4.102 25488 50 1 . 1 1 22 22 PHE H H 22 8.003 8.003 7.216 0.787 25488 51 1 . 1 1 23 23 TYR N N 23 116.244 116.244 115.832 0.412 25488 52 1 . 1 1 23 23 TYR H H 23 7.678 7.678 7.780 -0.102 25488 53 1 . 1 1 24 24 LEU N N 24 115.582 115.582 118.533 -2.951 25488 54 1 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.029 0.106 25488 55 1 . 1 1 24 24 LEU H H 24 7.238 7.238 7.805 -0.567 25488 56 1 . 1 1 25 25 TYR N N 25 119.996 119.996 117.217 2.779 25488 57 1 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.785 -0.380 25488 58 1 . 1 1 25 25 TYR H H 25 7.826 7.826 7.514 0.312 25488 59 1 . 1 1 26 26 ASP N N 26 129.292 129.292 123.194 6.098 25488 60 1 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.714 -0.253 25488 61 1 . 1 1 26 26 ASP H H 26 8.121 8.121 8.069 0.052 25488 62 1 . 1 1 28 28 GLU N N 28 122.115 122.115 120.811 1.304 25488 63 1 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.293 -0.012 25488 64 1 . 1 1 28 28 GLU H H 28 8.262 8.262 8.062 0.200 25488 65 1 . 1 1 29 29 THR N N 29 114.171 114.171 114.187 -0.016 25488 66 1 . 1 1 29 29 THR HA H 29 4.222 4.222 4.222 -0.000 25488 67 1 . 1 1 29 29 THR H H 29 7.496 7.496 7.703 -0.207 25488 68 1 . 1 1 30 30 LYS N N 30 123.019 123.019 122.167 0.852 25488 69 1 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.255 -0.037 25488 70 1 . 1 1 30 30 LYS H H 30 8.154 8.154 7.459 0.695 25488 71 1 . 1 1 32 32 ALA N N 32 126.481 126.481 127.196 -0.715 25488 72 1 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.013 0.237 25488 73 1 . 1 1 32 32 ALA H H 32 8.424 8.424 8.694 -0.270 25488 74 1 . 1 1 33 33 ASN N N 33 116.834 116.834 116.058 0.776 25488 75 1 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.575 0.123 25488 76 1 . 1 1 33 33 ASN H H 33 8.312 8.312 8.310 0.002 25488 77 1 . 1 1 34 34 SER N N 34 116.960 116.960 116.596 0.364 25488 78 1 . 1 1 34 34 SER HA H 34 4.522 4.522 4.281 0.241 25488 79 1 . 1 1 34 34 SER H H 34 8.112 8.112 7.898 0.214 25488 80 1 . 1 1 35 35 LEU N N 35 125.335 125.335 123.413 1.922 25488 81 1 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.086 -0.535 25488 82 1 . 1 1 35 35 LEU H H 35 8.324 8.324 8.429 -0.105 25488 83 1 . 1 1 36 36 GLU N N 36 119.302 119.302 119.377 -0.075 25488 84 1 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.954 -0.011 25488 85 1 . 1 1 36 36 GLU H H 36 8.239 8.239 8.060 0.179 25488 86 1 . 1 1 37 37 ALA N N 37 120.683 120.683 121.153 -0.470 25488 87 1 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.125 -0.078 25488 88 1 . 1 1 37 37 ALA H H 37 7.898 7.898 7.738 0.160 25488 89 1 . 1 1 38 38 LYS N N 38 119.470 119.470 119.526 -0.056 25488 90 1 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.079 0.254 25488 91 1 . 1 1 38 38 LYS H H 38 8.217 8.217 7.865 0.352 25488 92 1 . 1 1 39 39 LEU N N 39 122.664 122.664 119.831 2.833 25488 93 1 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.093 -0.179 25488 94 1 . 1 1 39 39 LEU H H 39 8.658 8.658 8.307 0.351 25488 95 1 . 1 1 40 40 LYS N N 40 118.301 118.301 118.699 -0.399 25488 96 1 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.014 0.659 25488 97 1 . 1 1 40 40 LYS H H 40 8.221 8.221 7.918 0.303 25488 98 1 . 1 1 41 41 GLU N N 41 121.462 121.462 119.716 1.746 25488 99 1 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.210 -0.142 25488 100 1 . 1 1 41 41 GLU H H 41 7.736 7.736 7.879 -0.143 25488 101 1 . 1 1 42 42 MET N N 42 123.761 123.761 119.868 3.893 25488 102 1 . 1 1 42 42 MET HA H 42 4.046 4.046 4.232 -0.186 25488 103 1 . 1 1 42 42 MET H H 42 7.672 7.672 8.177 -0.505 25488 104 1 . 1 1 43 43 GLN N N 43 120.035 120.035 118.017 2.018 25488 105 1 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.025 -0.229 25488 106 1 . 1 1 43 43 GLN H H 43 8.904 8.904 8.372 0.532 25488 107 1 . 1 1 44 44 LYS N N 44 119.131 119.131 120.483 -1.352 25488 108 1 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.166 -0.114 25488 109 1 . 1 1 44 44 LYS H H 44 8.511 8.511 7.792 0.719 25488 110 1 . 1 1 45 45 PHE N N 45 123.544 123.544 119.803 3.741 25488 111 1 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.287 -0.437 25488 112 1 . 1 1 45 45 PHE H H 45 8.438 8.438 8.068 0.370 25488 113 1 . 1 1 46 46 PHE N N 46 112.789 112.789 116.064 -3.275 25488 114 1 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.342 0.240 25488 115 1 . 1 1 46 46 PHE H H 46 8.273 8.273 8.168 0.105 25488 116 1 . 1 1 47 47 GLY N N 47 110.408 110.408 106.956 3.452 25488 117 1 . 1 1 47 47 GLY H H 47 7.922 7.922 7.743 0.179 25488 118 1 . 1 1 48 48 LEU N N 48 121.853 121.853 122.737 -0.884 25488 119 1 . 1 1 48 48 LEU H H 48 8.747 8.747 7.993 0.754 25488 120 1 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.408 -0.207 25488 121 1 . 1 1 50 50 ILE N N 50 127.000 127.000 119.929 7.071 25488 122 1 . 1 1 50 50 ILE H H 50 8.529 8.529 7.636 0.893 25488 123 1 . 1 1 51 51 THR N N 51 116.519 116.519 117.204 -0.685 25488 124 1 . 1 1 51 51 THR H H 51 7.980 7.980 8.385 -0.405 25488 125 1 . 1 1 52 52 GLY N N 52 112.725 112.725 114.669 -1.944 25488 126 1 . 1 1 52 52 GLY H H 52 9.483 9.483 9.450 0.033 25488 127 1 . 1 1 53 53 MET N N 53 116.735 116.735 120.357 -3.622 25488 128 1 . 1 1 53 53 MET HA H 53 4.044 4.044 4.641 -0.597 25488 129 1 . 1 1 53 53 MET H H 53 7.969 7.969 8.373 -0.404 25488 130 1 . 1 1 54 54 LEU N N 54 122.602 122.602 126.651 -4.049 25488 131 1 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.623 -0.917 25488 132 1 . 1 1 54 54 LEU H H 54 7.926 7.926 8.399 -0.473 25488 133 1 . 1 1 55 55 ASN N N 55 115.755 115.755 120.882 -5.127 25488 134 1 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.938 -0.198 25488 135 1 . 1 1 55 55 ASN H H 55 6.555 6.555 8.297 -1.742 25488 136 1 . 1 1 56 56 SER N N 56 121.450 121.450 118.949 2.501 25488 137 1 . 1 1 56 56 SER HA H 56 4.662 4.662 4.109 0.553 25488 138 1 . 1 1 56 56 SER H H 56 8.205 8.205 8.934 -0.729 25488 139 1 . 1 1 57 57 ARG N N 57 123.219 123.219 122.519 0.700 25488 140 1 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.048 0.158 25488 141 1 . 1 1 57 57 ARG H H 57 7.883 7.883 7.991 -0.108 25488 142 1 . 1 1 58 58 VAL N N 58 118.843 118.843 118.310 0.533 25488 143 1 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.656 -0.356 25488 144 1 . 1 1 58 58 VAL H H 58 7.594 7.594 7.808 -0.214 25488 145 1 . 1 1 59 59 ILE N N 59 119.212 119.212 119.050 0.162 25488 146 1 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.521 -0.052 25488 147 1 . 1 1 59 59 ILE H H 59 7.326 7.326 7.316 0.010 25488 148 1 . 1 1 60 60 GLU N N 60 119.544 119.544 120.510 -0.966 25488 149 1 . 1 1 60 60 GLU H H 60 7.880 7.880 7.593 0.287 25488 150 1 . 1 1 61 61 ILE N N 61 118.812 118.812 113.805 5.007 25488 151 1 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.500 -0.058 25488 152 1 . 1 1 61 61 ILE H H 61 7.217 7.217 7.385 -0.168 25488 153 1 . 1 1 62 62 MET N N 62 120.202 120.202 118.481 1.721 25488 154 1 . 1 1 62 62 MET HA H 62 3.419 3.419 4.224 -0.805 25488 155 1 . 1 1 62 62 MET H H 62 7.820 7.820 7.309 0.511 25488 156 1 . 1 1 63 63 GLN N N 63 116.274 116.274 115.313 0.961 25488 157 1 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.313 -0.072 25488 158 1 . 1 1 63 63 GLN H H 63 7.442 7.442 7.749 -0.307 25488 159 1 . 1 1 64 64 LYS N N 64 121.450 121.450 122.167 -0.717 25488 160 1 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.275 0.224 25488 161 1 . 1 1 64 64 LYS H H 64 7.474 7.474 7.322 0.152 25488 162 1 . 1 1 66 66 ARG N N 66 113.173 113.173 120.097 -6.924 25488 163 1 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.433 0.006 25488 164 1 . 1 1 66 66 ARG H H 66 8.151 8.151 7.895 0.256 25488 165 1 . 1 1 67 67 CYS N N 67 121.794 121.794 118.833 2.961 25488 166 1 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.840 -0.420 25488 167 1 . 1 1 67 67 CYS H H 67 7.709 7.709 8.369 -0.660 25488 168 1 . 1 1 68 68 GLY N N 68 116.255 116.255 111.150 5.105 25488 169 1 . 1 1 68 68 GLY H H 68 9.707 9.707 8.520 1.187 25488 170 1 . 1 1 69 69 VAL N N 69 126.541 126.541 114.913 11.628 25488 171 1 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.309 -0.502 25488 172 1 . 1 1 69 69 VAL H H 69 9.118 9.118 6.979 2.139 25488 173 1 . 1 1 71 71 ASP N N 71 119.114 119.114 125.504 -6.390 25488 174 1 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.603 -0.120 25488 175 1 . 1 1 71 71 ASP H H 71 8.067 8.067 8.369 -0.302 25488 176 1 . 1 1 72 72 VAL N N 72 112.988 112.988 118.175 -5.187 25488 177 1 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.253 0.028 25488 178 1 . 1 1 72 72 VAL H H 72 6.438 6.438 7.209 -0.771 25488 179 1 . 1 1 73 73 ALA N N 73 125.902 125.902 126.184 -0.282 25488 180 1 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.300 -0.033 25488 181 1 . 1 1 73 73 ALA H H 73 8.171 8.171 8.458 -0.287 25488 182 1 . 1 1 74 74 GLU N N 74 120.835 120.835 124.149 -3.314 25488 183 1 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.462 -0.379 25488 184 1 . 1 1 74 74 GLU H H 74 8.385 8.385 7.847 0.538 25488 185 1 . 1 1 75 75 TYR N N 75 121.820 121.820 119.837 1.983 25488 186 1 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.269 0.125 25488 187 1 . 1 1 75 75 TYR H H 75 8.102 8.102 8.810 -0.708 25488 188 1 . 1 1 76 76 SER N N 76 117.881 117.881 115.369 2.512 25488 189 1 . 1 1 76 76 SER H H 76 7.718 7.718 8.625 -0.907 25488 190 1 . 1 1 77 77 LEU N N 77 123.835 123.835 121.554 2.281 25488 191 1 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.558 -0.466 25488 192 1 . 1 1 77 77 LEU H H 77 8.033 8.033 7.657 0.376 25488 193 1 . 1 1 78 78 PHE N N 78 118.893 118.893 120.333 -1.440 25488 194 1 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.944 -0.099 25488 195 1 . 1 1 78 78 PHE H H 78 7.822 7.822 7.956 -0.134 25488 196 1 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.332 -0.001 25488 197 1 . 1 1 80 80 ASN N N 80 118.184 118.184 121.793 -3.609 25488 198 1 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.696 -0.016 25488 199 1 . 1 1 80 80 ASN H H 80 8.106 8.106 8.134 -0.028 25488 200 1 . 1 1 81 81 SER HA H 81 4.636 4.636 4.571 0.065 25488 201 1 . 1 1 83 83 LYS N N 83 114.696 114.696 118.814 -4.118 25488 202 1 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.567 -0.344 25488 203 1 . 1 1 83 83 LYS H H 83 7.361 7.361 7.944 -0.583 25488 204 1 . 1 1 84 84 TRP N N 84 122.459 122.459 121.901 0.557 25488 205 1 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.804 -0.801 25488 206 1 . 1 1 84 84 TRP H H 84 8.020 8.020 8.668 -0.648 25488 207 1 . 1 1 85 85 THR N N 85 113.482 113.482 116.578 -3.096 25488 208 1 . 1 1 85 85 THR HA H 85 4.586 4.586 4.293 0.293 25488 209 1 . 1 1 85 85 THR H H 85 8.833 8.833 8.698 0.135 25488 210 1 . 1 1 86 86 SER N N 86 117.316 117.316 114.454 2.862 25488 211 1 . 1 1 86 86 SER HA H 86 4.665 4.665 4.672 -0.007 25488 212 1 . 1 1 86 86 SER H H 86 7.724 7.724 7.749 -0.025 25488 213 1 . 1 1 87 87 LYS N N 87 120.411 120.411 122.016 -1.605 25488 214 1 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.258 -0.119 25488 215 1 . 1 1 87 87 LYS H H 87 8.312 8.312 8.577 -0.265 25488 216 1 . 1 1 88 88 VAL N N 88 117.674 117.674 120.234 -2.560 25488 217 1 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.440 0.211 25488 218 1 . 1 1 88 88 VAL H H 88 7.425 7.425 7.296 0.129 25488 219 1 . 1 1 89 89 VAL N N 89 131.493 131.493 127.170 4.323 25488 220 1 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.375 -0.234 25488 221 1 . 1 1 89 89 VAL H H 89 8.574 8.574 8.752 -0.178 25488 222 1 . 1 1 90 90 THR N N 90 118.245 118.245 116.782 1.463 25488 223 1 . 1 1 90 90 THR HA H 90 5.627 5.627 5.523 0.104 25488 224 1 . 1 1 90 90 THR H H 90 9.021 9.021 8.910 0.111 25488 225 1 . 1 1 91 91 TYR N N 91 118.267 118.267 118.786 -0.519 25488 226 1 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.694 -0.020 25488 227 1 . 1 1 91 91 TYR H H 91 8.555 8.555 8.636 -0.081 25488 228 1 . 1 1 92 92 ARG N N 92 120.260 120.260 121.849 -1.589 25488 229 1 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.965 -0.319 25488 230 1 . 1 1 92 92 ARG H H 92 8.513 8.513 8.553 -0.040 25488 231 1 . 1 1 93 93 ILE N N 93 128.361 128.361 126.751 1.610 25488 232 1 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.521 0.098 25488 233 1 . 1 1 93 93 ILE H H 93 8.878 8.878 8.956 -0.078 25488 234 1 . 1 1 94 94 VAL N N 94 126.374 126.374 127.345 -0.971 25488 235 1 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.170 -0.170 25488 236 1 . 1 1 94 94 VAL H H 94 9.492 9.492 9.020 0.473 25488 237 1 . 1 1 95 95 SER N N 95 113.303 113.303 114.081 -0.778 25488 238 1 . 1 1 95 95 SER HA H 95 4.705 4.705 4.778 -0.073 25488 239 1 . 1 1 95 95 SER H H 95 7.431 7.431 7.697 -0.266 25488 240 1 . 1 1 96 96 TYR N N 96 117.054 117.054 118.290 -1.236 25488 241 1 . 1 1 96 96 TYR H H 96 8.255 8.255 7.875 0.380 25488 242 1 . 1 1 98 98 ARG N N 98 128.445 128.445 123.514 4.931 25488 243 1 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.123 0.215 25488 244 1 . 1 1 98 98 ARG H H 98 8.964 8.964 8.520 0.444 25488 245 1 . 1 1 99 99 ASP N N 99 120.412 120.412 119.247 1.165 25488 246 1 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.536 -0.201 25488 247 1 . 1 1 99 99 ASP H H 99 8.695 8.695 8.463 0.232 25488 248 1 . 1 1 100 100 LEU N N 100 116.851 116.851 119.224 -2.373 25488 249 1 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.783 0.150 25488 250 1 . 1 1 100 100 LEU H H 100 6.902 6.902 7.443 -0.541 25488 251 1 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.716 0.451 25488 252 1 . 1 1 103 103 ILE N N 103 115.469 115.469 114.307 1.162 25488 253 1 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.692 0.481 25488 254 1 . 1 1 103 103 ILE H H 103 8.296 8.296 8.023 0.273 25488 255 1 . 1 1 104 104 THR N N 104 119.413 119.413 113.619 5.794 25488 256 1 . 1 1 104 104 THR HA H 104 4.019 4.019 4.022 -0.003 25488 257 1 . 1 1 104 104 THR H H 104 6.915 6.915 7.878 -0.963 25488 258 1 . 1 1 105 105 VAL N N 105 123.232 123.232 120.928 2.304 25488 259 1 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.588 -0.174 25488 260 1 . 1 1 105 105 VAL H H 105 7.379 7.379 7.280 0.099 25488 261 1 . 1 1 106 106 ASP N N 106 120.160 120.160 119.750 0.410 25488 262 1 . 1 1 106 106 ASP H H 106 8.615 8.615 8.068 0.547 25488 263 1 . 1 1 107 107 ARG N N 107 121.041 121.041 117.817 3.224 25488 264 1 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.123 -0.033 25488 265 1 . 1 1 107 107 ARG H H 107 8.372 8.372 7.850 0.522 25488 266 1 . 1 1 108 108 LEU N N 108 121.644 121.644 119.492 2.152 25488 267 1 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.210 0.043 25488 268 1 . 1 1 108 108 LEU H H 108 8.768 8.768 7.724 1.044 25488 269 1 . 1 1 109 109 VAL N N 109 120.347 120.347 116.578 3.769 25488 270 1 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.575 -0.204 25488 271 1 . 1 1 109 109 VAL H H 109 8.762 8.762 8.282 0.480 25488 272 1 . 1 1 110 110 SER N N 110 112.949 112.949 117.441 -4.493 25488 273 1 . 1 1 110 110 SER HA H 110 4.270 4.270 3.986 0.284 25488 274 1 . 1 1 110 110 SER H H 110 7.605 7.605 7.769 -0.164 25488 275 1 . 1 1 111 111 LYS N N 111 122.434 122.434 121.581 0.854 25488 276 1 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.015 0.027 25488 277 1 . 1 1 111 111 LYS H H 111 8.146 8.146 7.783 0.363 25488 278 1 . 1 1 112 112 ALA N N 112 124.099 124.099 121.926 2.173 25488 279 1 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.995 0.082 25488 280 1 . 1 1 112 112 ALA H H 112 8.270 8.270 7.595 0.675 25488 281 1 . 1 1 113 113 LEU N N 113 116.251 116.251 118.184 -1.933 25488 282 1 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.721 0.001 25488 283 1 . 1 1 113 113 LEU H H 113 8.019 8.019 7.733 0.286 25488 284 1 . 1 1 114 114 ASN N N 114 116.659 116.659 116.970 -0.311 25488 285 1 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.440 0.089 25488 286 1 . 1 1 114 114 ASN H H 114 8.197 8.197 8.154 0.043 25488 287 1 . 1 1 115 115 MET N N 115 122.118 122.118 119.297 2.821 25488 288 1 . 1 1 115 115 MET HA H 115 4.013 4.013 4.038 -0.025 25488 289 1 . 1 1 115 115 MET H H 115 7.918 7.918 7.408 0.510 25488 290 1 . 1 1 116 116 TRP N N 116 117.117 117.117 116.968 0.149 25488 291 1 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.622 -0.112 25488 292 1 . 1 1 116 116 TRP H H 116 6.773 6.773 7.416 -0.643 25488 293 1 . 1 1 117 117 GLY N N 117 104.656 104.656 106.747 -2.091 25488 294 1 . 1 1 117 117 GLY H H 117 9.305 9.305 8.417 0.888 25488 295 1 . 1 1 118 118 LYS N N 118 118.567 118.567 119.299 -0.731 25488 296 1 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.258 -0.081 25488 297 1 . 1 1 118 118 LYS H H 118 7.947 7.947 7.822 0.125 25488 298 1 . 1 1 119 119 GLU N N 119 113.899 113.899 118.200 -4.301 25488 299 1 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.404 0.404 25488 300 1 . 1 1 119 119 GLU H H 119 7.773 7.773 7.870 -0.098 25488 301 1 . 1 1 120 120 ILE N N 120 111.215 111.215 119.300 -8.085 25488 302 1 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.849 0.472 25488 303 1 . 1 1 120 120 ILE H H 120 7.528 7.528 8.000 -0.472 25488 304 1 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.440 0.181 25488 305 1 . 1 1 122 122 LEU N N 122 121.481 121.481 121.650 -0.169 25488 306 1 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.160 0.132 25488 307 1 . 1 1 122 122 LEU H H 122 6.815 6.815 7.789 -0.974 25488 308 1 . 1 1 123 123 HIS N N 123 120.769 120.769 122.159 -1.389 25488 309 1 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.670 -0.078 25488 310 1 . 1 1 123 123 HIS H H 123 7.709 7.709 8.540 -0.831 25488 311 1 . 1 1 124 124 PHE N N 124 120.530 120.530 123.178 -2.648 25488 312 1 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.404 0.408 25488 313 1 . 1 1 124 124 PHE H H 124 8.306 8.306 8.773 -0.467 25488 314 1 . 1 1 125 125 ARG N N 125 123.891 123.891 124.902 -1.011 25488 315 1 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.757 -0.104 25488 316 1 . 1 1 125 125 ARG H H 125 8.408 8.408 8.850 -0.442 25488 317 1 . 1 1 126 126 LYS N N 126 130.178 130.178 125.825 4.353 25488 318 1 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.780 -0.419 25488 319 1 . 1 1 126 126 LYS H H 126 8.468 8.468 8.446 0.022 25488 320 1 . 1 1 127 127 VAL N N 127 125.180 125.180 126.077 -0.897 25488 321 1 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.194 0.314 25488 322 1 . 1 1 127 127 VAL H H 127 8.679 8.679 8.455 0.224 25488 323 1 . 1 1 128 128 VAL N N 128 117.584 117.584 119.269 -1.685 25488 324 1 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.309 -0.023 25488 325 1 . 1 1 128 128 VAL H H 128 8.469 8.469 8.227 0.242 25488 326 1 . 1 1 129 129 TRP N N 129 119.805 119.805 119.275 0.530 25488 327 1 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.865 -0.179 25488 328 1 . 1 1 129 129 TRP H H 129 7.447 7.447 7.503 -0.056 25488 329 1 . 1 1 130 130 GLY N N 130 109.844 109.844 111.332 -1.488 25488 330 1 . 1 1 130 130 GLY H H 130 8.072 8.072 8.301 -0.229 25488 331 1 . 1 1 131 131 THR N N 131 116.125 116.125 112.275 3.850 25488 332 1 . 1 1 131 131 THR HA H 131 4.123 4.123 4.402 -0.279 25488 333 1 . 1 1 131 131 THR H H 131 8.196 8.196 8.222 -0.026 25488 334 1 . 1 1 132 132 ALA N N 132 129.613 129.613 127.130 2.483 25488 335 1 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.502 0.009 25488 336 1 . 1 1 132 132 ALA H H 132 7.919 7.919 8.134 -0.215 25488 337 1 . 1 1 133 133 ASP N N 133 123.004 123.004 121.062 1.942 25488 338 1 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.621 -0.179 25488 339 1 . 1 1 133 133 ASP H H 133 8.248 8.248 8.358 -0.110 25488 340 1 . 1 1 134 134 ILE N N 134 125.478 125.478 121.496 3.982 25488 341 1 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.473 -0.380 25488 342 1 . 1 1 134 134 ILE H H 134 8.804 8.804 7.970 0.834 25488 343 1 . 1 1 135 135 MET N N 135 127.471 127.471 127.328 0.143 25488 344 1 . 1 1 135 135 MET HA H 135 5.194 5.194 4.997 0.197 25488 345 1 . 1 1 135 135 MET H H 135 7.437 7.437 9.248 -1.811 25488 346 1 . 1 1 136 136 ILE N N 136 125.040 125.040 124.912 0.128 25488 347 1 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.940 0.637 25488 348 1 . 1 1 136 136 ILE H H 136 9.085 9.085 8.993 0.092 25488 349 1 . 1 1 137 137 GLY N N 137 112.059 112.059 114.008 -1.949 25488 350 1 . 1 1 137 137 GLY H H 137 8.568 8.568 8.639 -0.071 25488 351 1 . 1 1 138 138 PHE N N 138 119.447 119.447 121.074 -1.627 25488 352 1 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.446 0.008 25488 353 1 . 1 1 138 138 PHE H H 138 7.861 7.861 8.676 -0.815 25488 354 1 . 1 1 139 139 ALA N N 139 123.657 123.657 126.174 -2.517 25488 355 1 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.763 -0.028 25488 356 1 . 1 1 139 139 ALA H H 139 8.939 8.939 8.969 -0.030 25488 357 1 . 1 1 140 140 ARG N N 140 118.688 118.688 120.026 -1.338 25488 358 1 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.739 0.335 25488 359 1 . 1 1 140 140 ARG H H 140 8.563 8.563 8.614 -0.051 25488 360 1 . 1 1 141 141 GLY N N 141 108.964 108.964 110.797 -1.833 25488 361 1 . 1 1 141 141 GLY H H 141 9.018 9.018 9.256 -0.238 25488 362 1 . 1 1 143 143 HIS N N 143 120.218 120.218 115.701 4.517 25488 363 1 . 1 1 143 143 HIS H H 143 8.998 8.998 7.842 1.156 25488 364 1 . 1 1 145 145 ASP N N 145 117.684 117.684 121.618 -3.934 25488 365 1 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.850 -0.151 25488 366 1 . 1 1 145 145 ASP H H 145 7.088 7.088 8.039 -0.951 25488 367 1 . 1 1 146 146 SER HA H 146 4.140 4.140 4.338 -0.198 25488 368 1 . 1 1 146 146 SER H H 146 8.220 8.220 8.462 -0.242 25488 369 1 . 1 1 147 147 TYR N N 147 120.867 120.867 116.989 3.878 25488 370 1 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.248 0.540 25488 371 1 . 1 1 147 147 TYR H H 147 7.459 7.459 8.106 -0.647 25488 372 1 . 1 1 149 149 PHE N N 149 120.630 120.630 119.494 1.136 25488 373 1 . 1 1 149 149 PHE H H 149 8.018 8.018 8.287 -0.269 25488 374 1 . 1 1 150 150 ASP N N 150 115.626 115.626 118.138 -2.512 25488 375 1 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.168 0.675 25488 376 1 . 1 1 150 150 ASP H H 150 7.543 7.543 7.558 -0.015 25488 377 1 . 1 1 151 151 GLY N N 151 110.700 110.700 109.048 1.652 25488 378 1 . 1 1 151 151 GLY H H 151 9.074 9.074 8.191 0.883 25488 379 1 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.346 -0.320 25488 380 1 . 1 1 153 153 GLY N N 153 118.786 118.786 113.510 5.276 25488 381 1 . 1 1 153 153 GLY H H 153 11.385 11.385 8.791 2.594 25488 382 1 . 1 1 154 154 ASN N N 154 120.613 120.613 118.754 1.859 25488 383 1 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.314 -0.116 25488 384 1 . 1 1 154 154 ASN H H 154 9.225 9.225 8.396 0.829 25488 385 1 . 1 1 155 155 THR N N 155 118.700 118.700 114.081 4.619 25488 386 1 . 1 1 155 155 THR HA H 155 5.542 5.542 4.307 1.235 25488 387 1 . 1 1 155 155 THR H H 155 9.519 9.519 8.337 1.182 25488 388 1 . 1 1 156 156 LEU N N 156 122.765 122.765 117.604 5.161 25488 389 1 . 1 1 156 156 LEU HA H 156 4.942 4.942 5.002 -0.060 25488 390 1 . 1 1 156 156 LEU H H 156 8.500 8.500 8.244 0.256 25488 391 1 . 1 1 157 157 ALA N N 157 115.545 115.545 120.167 -4.622 25488 392 1 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.842 0.165 25488 393 1 . 1 1 157 157 ALA H H 157 7.545 7.545 7.477 0.068 25488 394 1 . 1 1 158 158 HIS N N 158 111.868 111.868 116.829 -4.961 25488 395 1 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.743 -0.126 25488 396 1 . 1 1 158 158 HIS H H 158 8.774 8.774 8.351 0.423 25488 397 1 . 1 1 159 159 ALA N N 159 118.565 118.565 124.561 -5.995 25488 398 1 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.716 -0.059 25488 399 1 . 1 1 159 159 ALA H H 159 6.114 6.114 8.088 -1.975 25488 400 1 . 1 1 160 160 PHE N N 160 118.042 118.042 121.426 -3.384 25488 401 1 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.808 -0.327 25488 402 1 . 1 1 160 160 PHE H H 160 7.897 7.897 8.554 -0.657 25488 403 1 . 1 1 161 161 ALA N N 161 123.548 123.548 124.176 -0.628 25488 404 1 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.733 -0.250 25488 405 1 . 1 1 161 161 ALA H H 161 8.089 8.089 8.578 -0.489 25488 406 1 . 1 1 162 162 PRO HA H 162 2.871 2.871 3.431 -0.560 25488 407 1 . 1 1 163 163 GLY N N 163 107.255 107.255 109.241 -1.986 25488 408 1 . 1 1 163 163 GLY H H 163 5.992 5.992 7.237 -1.245 25488 409 1 . 1 1 165 165 GLY H H 165 9.149 9.149 8.076 1.073 25488 410 1 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.215 -0.062 25488 411 1 . 1 1 167 167 GLY N N 167 103.338 103.338 103.628 -0.290 25488 412 1 . 1 1 167 167 GLY H H 167 7.774 7.774 7.380 0.394 25488 413 1 . 1 1 168 168 GLY N N 168 121.031 121.031 108.544 12.487 25488 414 1 . 1 1 168 168 GLY H H 168 7.685 7.685 8.253 -0.568 25488 415 1 . 1 1 169 169 ASP N N 169 123.703 123.703 122.656 1.047 25488 416 1 . 1 1 169 169 ASP H H 169 8.578 8.578 7.858 0.720 25488 417 1 . 1 1 170 170 ALA N N 170 119.569 119.569 122.145 -2.576 25488 418 1 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.834 -0.130 25488 419 1 . 1 1 170 170 ALA H H 170 8.371 8.371 8.648 -0.277 25488 420 1 . 1 1 171 171 HIS N N 171 120.286 120.286 120.510 -0.224 25488 421 1 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.217 0.513 25488 422 1 . 1 1 171 171 HIS H H 171 8.513 8.513 8.271 0.242 25488 423 1 . 1 1 172 172 PHE N N 172 120.919 120.919 122.355 -1.436 25488 424 1 . 1 1 172 172 PHE H H 172 8.457 8.457 8.805 -0.348 25488 425 1 . 1 1 173 173 ASP N N 173 123.993 123.993 121.888 2.105 25488 426 1 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.162 -1.266 25488 427 1 . 1 1 173 173 ASP H H 173 7.915 7.915 8.773 -0.858 25488 428 1 . 1 1 174 174 GLU N N 174 132.684 132.684 127.345 5.339 25488 429 1 . 1 1 174 174 GLU H H 174 9.461 9.461 8.751 0.710 25488 430 1 . 1 1 175 175 ASP N N 175 117.313 117.313 118.677 -1.364 25488 431 1 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.747 0.050 25488 432 1 . 1 1 175 175 ASP H H 175 8.756 8.756 8.236 0.520 25488 433 1 . 1 1 176 176 GLU N N 176 116.511 116.511 119.302 -2.791 25488 434 1 . 1 1 176 176 GLU H H 176 7.154 7.154 7.659 -0.505 25488 435 1 . 1 1 177 177 ARG N N 177 121.920 121.920 124.546 -2.626 25488 436 1 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.427 0.198 25488 437 1 . 1 1 177 177 ARG H H 177 7.555 7.555 8.282 -0.727 25488 438 1 . 1 1 178 178 TRP N N 178 129.182 129.182 125.389 3.793 25488 439 1 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.497 -0.384 25488 440 1 . 1 1 178 178 TRP H H 178 8.788 8.788 8.592 0.196 25488 441 1 . 1 1 179 179 THR N N 179 112.874 112.874 113.517 -0.643 25488 442 1 . 1 1 179 179 THR HA H 179 5.015 5.015 4.729 0.286 25488 443 1 . 1 1 179 179 THR H H 179 8.946 8.946 8.698 0.248 25488 444 1 . 1 1 180 180 ASP N N 180 121.969 121.969 123.151 -1.182 25488 445 1 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.841 -0.419 25488 446 1 . 1 1 180 180 ASP H H 180 8.478 8.478 8.632 -0.154 25488 447 1 . 1 1 181 181 GLY N N 181 110.059 110.059 107.754 2.305 25488 448 1 . 1 1 181 181 GLY H H 181 8.572 8.572 8.275 0.297 25488 449 1 . 1 1 182 182 SER N N 182 115.564 115.564 116.377 -0.813 25488 450 1 . 1 1 182 182 SER HA H 182 4.599 4.599 4.522 0.077 25488 451 1 . 1 1 182 182 SER H H 182 8.173 8.173 8.039 0.134 25488 452 1 . 1 1 183 183 SER N N 183 117.066 117.066 114.534 2.532 25488 453 1 . 1 1 183 183 SER H H 183 7.819 7.819 8.397 -0.578 25488 454 1 . 1 1 184 184 LEU N N 184 121.954 121.954 119.299 2.655 25488 455 1 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.488 -0.126 25488 456 1 . 1 1 184 184 LEU H H 184 8.104 8.104 7.728 0.376 25488 457 1 . 1 1 185 185 GLY N N 185 108.989 108.989 105.977 3.012 25488 458 1 . 1 1 185 185 GLY H H 185 7.954 7.954 7.405 0.549 25488 459 1 . 1 1 186 186 ILE N N 186 123.084 123.084 120.120 2.964 25488 460 1 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.237 -0.458 25488 461 1 . 1 1 186 186 ILE H H 186 8.878 8.878 8.169 0.709 25488 462 1 . 1 1 187 187 ASN N N 187 126.999 126.999 124.533 2.466 25488 463 1 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.863 -0.467 25488 464 1 . 1 1 187 187 ASN H H 187 8.575 8.575 8.649 -0.074 25488 465 1 . 1 1 188 188 PHE N N 188 129.819 129.819 128.427 1.392 25488 466 1 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.449 0.142 25488 467 1 . 1 1 188 188 PHE H H 188 9.365 9.365 8.704 0.661 25488 468 1 . 1 1 189 189 LEU N N 189 119.292 119.292 121.535 -2.243 25488 469 1 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.804 0.029 25488 470 1 . 1 1 189 189 LEU H H 189 8.551 8.551 8.008 0.543 25488 471 1 . 1 1 191 191 ALA N N 191 120.347 120.347 122.040 -1.693 25488 472 1 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.034 0.263 25488 473 1 . 1 1 191 191 ALA H H 191 7.973 7.973 7.833 0.140 25488 474 1 . 1 1 192 192 ALA N N 192 121.365 121.365 120.600 0.765 25488 475 1 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.109 -0.092 25488 476 1 . 1 1 192 192 ALA H H 192 9.258 9.258 8.327 0.931 25488 477 1 . 1 1 193 193 THR N N 193 117.027 117.027 114.631 2.396 25488 478 1 . 1 1 193 193 THR HA H 193 3.825 3.825 3.996 -0.171 25488 479 1 . 1 1 193 193 THR H H 193 8.209 8.209 7.895 0.315 25488 480 1 . 1 1 194 194 HIS N N 194 120.231 120.231 120.737 -0.506 25488 481 1 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.442 -0.209 25488 482 1 . 1 1 194 194 HIS H H 194 7.805 7.805 7.898 -0.093 25488 483 1 . 1 1 195 195 ALA N N 195 121.346 121.346 122.164 -0.818 25488 484 1 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.059 0.121 25488 485 1 . 1 1 195 195 ALA H H 195 8.693 8.693 7.802 0.891 25488 486 1 . 1 1 196 196 LEU N N 196 114.951 114.951 115.518 -0.567 25488 487 1 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.341 -0.183 25488 488 1 . 1 1 196 196 LEU H H 196 8.714 8.714 8.281 0.433 25488 489 1 . 1 1 197 197 GLY N N 197 107.954 107.954 106.733 1.221 25488 490 1 . 1 1 197 197 GLY H H 197 7.540 7.540 7.717 -0.177 25488 491 1 . 1 1 198 198 HIS N N 198 121.996 121.996 120.914 1.082 25488 492 1 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.412 0.397 25488 493 1 . 1 1 198 198 HIS H H 198 7.205 7.205 7.583 -0.378 25488 494 1 . 1 1 199 199 SER N N 199 118.570 118.570 114.715 3.855 25488 495 1 . 1 1 199 199 SER HA H 199 4.448 4.448 4.537 -0.089 25488 496 1 . 1 1 199 199 SER H H 199 7.886 7.886 7.983 -0.097 25488 497 1 . 1 1 200 200 LEU N N 200 114.779 114.779 117.394 -2.615 25488 498 1 . 1 1 200 200 LEU H H 200 7.106 7.106 7.402 -0.296 25488 499 1 . 1 1 201 201 GLY N N 201 108.350 108.350 105.709 2.641 25488 500 1 . 1 1 201 201 GLY H H 201 8.213 8.213 7.657 0.556 25488 501 1 . 1 1 202 202 MET N N 202 119.623 119.623 120.262 -0.639 25488 502 1 . 1 1 202 202 MET HA H 202 4.484 4.484 4.499 -0.015 25488 503 1 . 1 1 202 202 MET H H 202 8.189 8.189 7.718 0.471 25488 504 1 . 1 1 203 203 GLY N N 203 109.770 109.770 108.486 1.284 25488 505 1 . 1 1 203 203 GLY H H 203 8.413 8.413 8.303 0.110 25488 506 1 . 1 1 204 204 HIS N N 204 115.793 115.793 117.846 -2.053 25488 507 1 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.806 0.568 25488 508 1 . 1 1 204 204 HIS H H 204 8.383 8.383 8.417 -0.034 25488 509 1 . 1 1 205 205 SER N N 205 115.497 115.497 115.243 0.254 25488 510 1 . 1 1 205 205 SER HA H 205 4.721 4.721 4.768 -0.047 25488 511 1 . 1 1 205 205 SER H H 205 7.223 7.223 8.589 -1.366 25488 512 1 . 1 1 206 206 SER N N 206 119.268 119.268 117.924 1.344 25488 513 1 . 1 1 206 206 SER HA H 206 3.721 3.721 4.617 -0.896 25488 514 1 . 1 1 206 206 SER H H 206 8.290 8.290 8.698 -0.408 25488 515 1 . 1 1 207 207 ASP N N 207 126.656 126.656 123.293 3.363 25488 516 1 . 1 1 207 207 ASP H H 207 8.541 8.541 7.645 0.896 25488 517 1 . 1 1 209 209 ASN N N 209 115.911 115.911 116.027 -0.116 25488 518 1 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.544 0.072 25488 519 1 . 1 1 209 209 ASN H H 209 8.374 8.374 8.101 0.273 25488 520 1 . 1 1 210 210 ALA N N 210 124.929 124.929 122.450 2.479 25488 521 1 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.418 -0.264 25488 522 1 . 1 1 210 210 ALA H H 210 8.182 8.182 7.231 0.951 25488 523 1 . 1 1 211 211 VAL N N 211 130.383 130.383 121.396 8.987 25488 524 1 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.696 0.554 25488 525 1 . 1 1 211 211 VAL H H 211 11.554 11.554 8.704 2.850 25488 526 1 . 1 1 212 212 MET N N 212 113.319 113.319 114.301 -0.982 25488 527 1 . 1 1 212 212 MET H H 212 7.741 7.741 7.792 -0.051 25488 528 1 . 1 1 213 213 TYR N N 213 130.006 130.006 123.761 6.245 25488 529 1 . 1 1 213 213 TYR H H 213 7.899 7.899 7.546 0.353 25488 530 1 . 1 1 215 215 THR N N 215 104.747 104.747 110.466 -5.719 25488 531 1 . 1 1 215 215 THR HA H 215 4.404 4.404 4.190 0.214 25488 532 1 . 1 1 215 215 THR H H 215 6.402 6.402 7.632 -1.230 25488 533 1 . 1 1 216 216 TYR N N 216 124.699 124.699 123.603 1.096 25488 534 1 . 1 1 216 216 TYR H H 216 8.341 8.341 7.951 0.390 25488 535 1 . 1 1 217 217 GLY N N 217 116.288 116.288 110.148 6.140 25488 536 1 . 1 1 217 217 GLY H H 217 7.685 7.685 8.205 -0.520 25488 537 1 . 1 1 218 218 ASN N N 218 119.920 119.920 116.079 3.841 25488 538 1 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.902 -0.282 25488 539 1 . 1 1 218 218 ASN H H 218 8.221 8.221 8.571 -0.350 25488 540 1 . 1 1 219 219 GLY N N 219 109.601 109.601 107.778 1.823 25488 541 1 . 1 1 219 219 GLY H H 219 8.072 8.072 7.872 0.200 25488 542 1 . 1 1 220 220 ASP N N 220 123.006 123.006 120.280 2.726 25488 543 1 . 1 1 220 220 ASP H H 220 8.280 8.280 8.189 0.091 25488 544 1 . 1 1 222 222 GLN N N 222 116.642 116.642 120.566 -3.924 25488 545 1 . 1 1 222 222 GLN H H 222 8.215 8.215 8.527 -0.312 25488 546 1 . 1 1 223 223 ASN N N 223 118.361 118.361 117.868 0.493 25488 547 1 . 1 1 223 223 ASN H H 223 7.970 7.970 8.202 -0.232 25488 548 1 . 1 1 225 225 LYS N N 225 122.215 122.215 124.834 -2.619 25488 549 1 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.455 -0.039 25488 550 1 . 1 1 225 225 LYS H H 225 7.656 7.656 7.952 -0.296 25488 551 1 . 1 1 226 226 LEU N N 226 119.165 119.165 120.919 -1.754 25488 552 1 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.559 -0.471 25488 553 1 . 1 1 226 226 LEU H H 226 7.984 7.984 8.266 -0.282 25488 554 1 . 1 1 227 227 SER N N 227 120.520 120.520 116.507 4.013 25488 555 1 . 1 1 227 227 SER HA H 227 4.676 4.676 4.505 0.171 25488 556 1 . 1 1 227 227 SER H H 227 9.646 9.646 8.513 1.133 25488 557 1 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.240 0.434 25488 558 1 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.433 -0.059 25488 559 1 . 1 1 229 229 ASP H H 229 8.113 8.113 8.178 -0.065 25488 560 1 . 1 1 230 230 ASP N N 230 119.878 119.878 118.873 1.005 25488 561 1 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.510 -0.172 25488 562 1 . 1 1 230 230 ASP H H 230 7.397 7.397 7.728 -0.331 25488 563 1 . 1 1 231 231 ILE N N 231 120.389 120.389 119.439 0.950 25488 564 1 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.859 -0.204 25488 565 1 . 1 1 231 231 ILE H H 231 8.100 8.100 7.505 0.595 25488 566 1 . 1 1 232 232 LYS N N 232 119.084 119.084 120.526 -1.442 25488 567 1 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.038 0.057 25488 568 1 . 1 1 232 232 LYS H H 232 8.581 8.581 7.867 0.714 25488 569 1 . 1 1 233 233 GLY N N 233 106.424 106.424 106.464 -0.040 25488 570 1 . 1 1 233 233 GLY H H 233 8.061 8.061 7.845 0.216 25488 571 1 . 1 1 234 234 ILE N N 234 125.166 125.166 121.666 3.500 25488 572 1 . 1 1 234 234 ILE H H 234 8.517 8.517 7.675 0.842 25488 573 1 . 1 1 235 235 GLN N N 235 122.969 122.969 119.503 3.466 25488 574 1 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.105 0.276 25488 575 1 . 1 1 235 235 GLN H H 235 8.291 8.291 8.171 0.120 25488 576 1 . 1 1 236 236 LYS N N 236 123.770 123.770 116.998 6.772 25488 577 1 . 1 1 236 236 LYS H H 236 8.035 8.035 7.736 0.299 25488 578 1 . 1 1 237 237 LEU N N 237 116.854 116.854 118.436 -1.582 25488 579 1 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.051 -0.092 25488 580 1 . 1 1 237 237 LEU H H 237 6.886 6.886 7.427 -0.541 25488 581 1 . 1 1 238 238 TYR N N 238 112.132 112.132 114.907 -2.775 25488 582 1 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.630 -0.004 25488 583 1 . 1 1 238 238 TYR H H 238 7.459 7.459 7.573 -0.114 25488 584 1 . 1 1 239 239 GLY N N 239 110.898 110.898 106.950 3.948 25488 585 1 . 1 1 239 239 GLY H H 239 8.442 8.442 7.707 0.735 25488 586 1 . 1 1 240 240 LYS N N 240 114.400 114.400 120.235 -5.835 25488 587 1 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.459 0.345 25488 588 1 . 1 1 240 240 LYS H H 240 7.865 7.865 8.388 -0.523 25488 589 1 . 1 1 241 241 ARG N N 241 123.851 123.851 123.072 0.778 25488 590 1 . 1 1 241 241 ARG H H 241 7.760 7.760 8.601 -0.841 25488 591 1 . 1 1 242 242 SER N N 242 135.647 135.647 116.009 19.638 25488 592 1 . 1 1 242 242 SER H H 242 9.158 9.158 8.527 0.631 25488 stop_ save_