data_25489 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25489 _Entry.PDB_ID 2MZI 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 25489 _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 3 121.690 121.690 122.203 -0.513 25489 2 1 1 . 1 1 3 3 GLU H H 3 8.332 8.332 9.014 -0.682 25489 3 1 1 . 1 1 4 4 ALA N N 4 124.526 124.526 120.373 4.153 25489 4 1 1 . 1 1 4 4 ALA H H 4 8.111 8.111 8.191 -0.080 25489 5 1 1 . 1 1 5 5 GLY N N 5 108.229 108.229 103.947 4.282 25489 6 1 1 . 1 1 5 5 GLY H H 5 8.286 8.286 7.712 0.574 25489 7 1 1 . 1 1 6 6 GLY N N 6 108.867 108.867 108.083 0.784 25489 8 1 1 . 1 1 6 6 GLY H H 6 8.239 8.239 7.703 0.536 25489 9 1 1 . 1 1 7 7 MET N N 7 119.984 119.984 121.272 -1.288 25489 10 1 1 . 1 1 7 7 MET H H 7 8.044 8.044 7.455 0.589 25489 11 1 1 . 1 1 8 8 SER N N 8 118.771 118.771 119.965 -1.194 25489 12 1 1 . 1 1 8 8 SER HA H 8 4.239 4.239 4.466 -0.227 25489 13 1 1 . 1 1 8 8 SER H H 8 8.738 8.738 8.310 0.428 25489 14 1 1 . 1 1 9 9 GLU N N 9 122.551 122.551 129.042 -6.491 25489 15 1 1 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.149 0.103 25489 16 1 1 . 1 1 9 9 GLU H H 9 8.919 8.919 9.116 -0.197 25489 17 1 1 . 1 1 10 10 LEU N N 10 120.638 120.638 119.259 1.379 25489 18 1 1 . 1 1 10 10 LEU H H 10 8.017 8.017 7.244 0.773 25489 19 1 1 . 1 1 11 11 GLN N N 11 119.889 119.889 119.054 0.835 25489 20 1 1 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.173 -0.039 25489 21 1 1 . 1 1 11 11 GLN H H 11 7.807 7.807 8.189 -0.382 25489 22 1 1 . 1 1 12 12 TRP N N 12 120.951 120.951 121.812 -0.861 25489 23 1 1 . 1 1 12 12 TRP H H 12 8.202 8.202 7.889 0.313 25489 24 1 1 . 1 1 13 13 GLU N N 13 121.870 121.870 118.751 3.119 25489 25 1 1 . 1 1 13 13 GLU H H 13 8.436 8.436 7.882 0.554 25489 26 1 1 . 1 1 14 14 GLN N N 14 120.646 120.646 119.298 1.348 25489 27 1 1 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.673 0.496 25489 28 1 1 . 1 1 14 14 GLN H H 14 8.159 8.159 7.639 0.520 25489 29 1 1 . 1 1 15 15 ALA N N 15 123.216 123.216 120.942 2.274 25489 30 1 1 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.644 0.694 25489 31 1 1 . 1 1 15 15 ALA H H 15 8.355 8.355 7.553 0.802 25489 32 1 1 . 1 1 16 16 GLN N N 16 117.766 117.766 116.747 1.019 25489 33 1 1 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.742 -0.037 25489 34 1 1 . 1 1 16 16 GLN H H 16 8.440 8.440 7.840 0.600 25489 35 1 1 . 1 1 17 17 ASP N N 17 120.090 120.090 118.740 1.350 25489 36 1 1 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.429 0.034 25489 37 1 1 . 1 1 17 17 ASP H H 17 7.899 7.899 7.269 0.630 25489 38 1 1 . 1 1 18 18 TYR N N 18 122.296 122.296 119.403 2.893 25489 39 1 1 . 1 1 18 18 TYR H H 18 8.264 8.264 8.420 -0.156 25489 40 1 1 . 1 1 19 19 LEU N N 19 117.675 117.675 121.013 -3.338 25489 41 1 1 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.151 -0.026 25489 42 1 1 . 1 1 19 19 LEU H H 19 8.687 8.687 7.837 0.850 25489 43 1 1 . 1 1 20 20 LYS N N 20 124.620 124.620 118.067 6.553 25489 44 1 1 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.078 0.065 25489 45 1 1 . 1 1 20 20 LYS H H 20 8.790 8.790 8.142 0.648 25489 46 1 1 . 1 1 21 21 ARG N N 21 117.608 117.608 118.004 -0.396 25489 47 1 1 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.008 -0.311 25489 48 1 1 . 1 1 21 21 ARG H H 21 7.835 7.835 7.571 0.264 25489 49 1 1 . 1 1 22 22 PHE N N 22 112.136 112.136 116.647 -4.511 25489 50 1 1 . 1 1 22 22 PHE H H 22 8.003 8.003 7.739 0.264 25489 51 1 1 . 1 1 23 23 TYR N N 23 116.244 116.244 116.851 -0.607 25489 52 1 1 . 1 1 23 23 TYR H H 23 7.678 7.678 8.402 -0.724 25489 53 1 1 . 1 1 24 24 LEU N N 24 115.582 115.582 114.156 1.426 25489 54 1 1 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.612 -0.477 25489 55 1 1 . 1 1 24 24 LEU H H 24 7.238 7.238 7.847 -0.609 25489 56 1 1 . 1 1 25 25 TYR N N 25 119.996 119.996 123.492 -3.496 25489 57 1 1 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.474 -0.069 25489 58 1 1 . 1 1 25 25 TYR H H 25 7.826 7.826 8.609 -0.783 25489 59 1 1 . 1 1 26 26 ASP N N 26 129.292 129.292 127.347 1.945 25489 60 1 1 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.640 -0.179 25489 61 1 1 . 1 1 26 26 ASP H H 26 8.121 8.121 8.159 -0.038 25489 62 1 1 . 1 1 28 28 GLU N N 28 122.115 122.115 121.627 0.488 25489 63 1 1 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.227 0.054 25489 64 1 1 . 1 1 28 28 GLU H H 28 8.262 8.262 7.889 0.373 25489 65 1 1 . 1 1 29 29 THR N N 29 114.171 114.171 114.978 -0.807 25489 66 1 1 . 1 1 29 29 THR HA H 29 4.222 4.222 4.165 0.057 25489 67 1 1 . 1 1 29 29 THR H H 29 7.496 7.496 7.706 -0.210 25489 68 1 1 . 1 1 30 30 LYS N N 30 123.019 123.019 123.403 -0.384 25489 69 1 1 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.206 0.012 25489 70 1 1 . 1 1 30 30 LYS H H 30 8.154 8.154 7.303 0.851 25489 71 1 1 . 1 1 32 32 ALA N N 32 126.481 126.481 126.223 0.258 25489 72 1 1 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.156 0.094 25489 73 1 1 . 1 1 32 32 ALA H H 32 8.424 8.424 8.869 -0.445 25489 74 1 1 . 1 1 33 33 ASN N N 33 116.834 116.834 116.168 0.666 25489 75 1 1 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.749 -0.051 25489 76 1 1 . 1 1 33 33 ASN H H 33 8.312 8.312 8.635 -0.323 25489 77 1 1 . 1 1 34 34 SER N N 34 116.960 116.960 116.302 0.658 25489 78 1 1 . 1 1 34 34 SER HA H 34 4.522 4.522 4.266 0.256 25489 79 1 1 . 1 1 34 34 SER H H 34 8.112 8.112 8.117 -0.005 25489 80 1 1 . 1 1 35 35 LEU N N 35 125.335 125.335 123.324 2.011 25489 81 1 1 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.995 -0.444 25489 82 1 1 . 1 1 35 35 LEU H H 35 8.324 8.324 8.799 -0.475 25489 83 1 1 . 1 1 36 36 GLU N N 36 119.302 119.302 118.782 0.520 25489 84 1 1 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.148 -0.205 25489 85 1 1 . 1 1 36 36 GLU H H 36 8.239 8.239 8.058 0.181 25489 86 1 1 . 1 1 37 37 ALA N N 37 120.683 120.683 121.865 -1.182 25489 87 1 1 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.131 -0.084 25489 88 1 1 . 1 1 37 37 ALA H H 37 7.898 7.898 7.559 0.339 25489 89 1 1 . 1 1 38 38 LYS N N 38 119.470 119.470 119.107 0.363 25489 90 1 1 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.072 0.261 25489 91 1 1 . 1 1 38 38 LYS H H 38 8.217 8.217 7.657 0.560 25489 92 1 1 . 1 1 39 39 LEU N N 39 122.664 122.664 120.714 1.950 25489 93 1 1 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.909 0.005 25489 94 1 1 . 1 1 39 39 LEU H H 39 8.658 8.658 8.246 0.412 25489 95 1 1 . 1 1 40 40 LYS N N 40 118.301 118.301 118.180 0.121 25489 96 1 1 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.936 0.737 25489 97 1 1 . 1 1 40 40 LYS H H 40 8.221 8.221 8.370 -0.149 25489 98 1 1 . 1 1 41 41 GLU N N 41 121.462 121.462 120.313 1.149 25489 99 1 1 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.061 0.007 25489 100 1 1 . 1 1 41 41 GLU H H 41 7.736 7.736 7.996 -0.260 25489 101 1 1 . 1 1 42 42 MET N N 42 123.761 123.761 118.946 4.815 25489 102 1 1 . 1 1 42 42 MET HA H 42 4.046 4.046 4.502 -0.456 25489 103 1 1 . 1 1 42 42 MET H H 42 7.672 7.672 7.825 -0.153 25489 104 1 1 . 1 1 43 43 GLN N N 43 120.035 120.035 118.547 1.488 25489 105 1 1 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.155 -0.359 25489 106 1 1 . 1 1 43 43 GLN H H 43 8.904 8.904 7.812 1.092 25489 107 1 1 . 1 1 44 44 LYS N N 44 119.131 119.131 120.901 -1.770 25489 108 1 1 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.151 -0.099 25489 109 1 1 . 1 1 44 44 LYS H H 44 8.511 8.511 8.615 -0.104 25489 110 1 1 . 1 1 45 45 PHE N N 45 123.544 123.544 120.888 2.656 25489 111 1 1 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.224 -0.374 25489 112 1 1 . 1 1 45 45 PHE H H 45 8.438 8.438 8.712 -0.274 25489 113 1 1 . 1 1 46 46 PHE N N 46 112.789 112.789 115.143 -2.354 25489 114 1 1 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.660 -0.078 25489 115 1 1 . 1 1 46 46 PHE H H 46 8.273 8.273 7.831 0.442 25489 116 1 1 . 1 1 47 47 GLY N N 47 110.408 110.408 106.897 3.511 25489 117 1 1 . 1 1 47 47 GLY H H 47 7.922 7.922 7.832 0.090 25489 118 1 1 . 1 1 48 48 LEU N N 48 121.853 121.853 122.511 -0.658 25489 119 1 1 . 1 1 48 48 LEU H H 48 8.747 8.747 7.945 0.802 25489 120 1 1 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.411 -0.210 25489 121 1 1 . 1 1 50 50 ILE N N 50 127.000 127.000 122.499 4.501 25489 122 1 1 . 1 1 50 50 ILE H H 50 8.529 8.529 7.691 0.838 25489 123 1 1 . 1 1 51 51 THR N N 51 116.519 116.519 116.942 -0.423 25489 124 1 1 . 1 1 51 51 THR H H 51 7.980 7.980 8.405 -0.425 25489 125 1 1 . 1 1 52 52 GLY N N 52 112.725 112.725 112.509 0.216 25489 126 1 1 . 1 1 52 52 GLY H H 52 9.483 9.483 9.357 0.126 25489 127 1 1 . 1 1 53 53 MET N N 53 116.735 116.735 118.826 -2.091 25489 128 1 1 . 1 1 53 53 MET HA H 53 4.044 4.044 4.920 -0.876 25489 129 1 1 . 1 1 53 53 MET H H 53 7.969 7.969 7.630 0.339 25489 130 1 1 . 1 1 54 54 LEU N N 54 122.602 122.602 126.502 -3.900 25489 131 1 1 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.559 -0.853 25489 132 1 1 . 1 1 54 54 LEU H H 54 7.926 7.926 8.492 -0.566 25489 133 1 1 . 1 1 55 55 ASN N N 55 115.755 115.755 118.331 -2.576 25489 134 1 1 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.765 -0.025 25489 135 1 1 . 1 1 55 55 ASN H H 55 6.555 6.555 8.548 -1.993 25489 136 1 1 . 1 1 56 56 SER N N 56 121.450 121.450 115.685 5.765 25489 137 1 1 . 1 1 56 56 SER HA H 56 4.662 4.662 4.429 0.233 25489 138 1 1 . 1 1 56 56 SER H H 56 8.205 8.205 8.271 -0.066 25489 139 1 1 . 1 1 57 57 ARG N N 57 123.219 123.219 120.637 2.582 25489 140 1 1 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.174 0.032 25489 141 1 1 . 1 1 57 57 ARG H H 57 7.883 7.883 8.598 -0.715 25489 142 1 1 . 1 1 58 58 VAL N N 58 118.843 118.843 118.129 0.714 25489 143 1 1 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.366 -0.066 25489 144 1 1 . 1 1 58 58 VAL H H 58 7.594 7.594 8.087 -0.493 25489 145 1 1 . 1 1 59 59 ILE N N 59 119.212 119.212 116.592 2.620 25489 146 1 1 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.167 -0.698 25489 147 1 1 . 1 1 59 59 ILE H H 59 7.326 7.326 7.553 -0.227 25489 148 1 1 . 1 1 60 60 GLU N N 60 119.544 119.544 121.515 -1.971 25489 149 1 1 . 1 1 60 60 GLU H H 60 7.880 7.880 7.430 0.450 25489 150 1 1 . 1 1 61 61 ILE N N 61 118.812 118.812 115.874 2.938 25489 151 1 1 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.793 -0.351 25489 152 1 1 . 1 1 61 61 ILE H H 61 7.217 7.217 7.301 -0.084 25489 153 1 1 . 1 1 62 62 MET N N 62 120.202 120.202 115.674 4.528 25489 154 1 1 . 1 1 62 62 MET HA H 62 3.419 3.419 4.155 -0.736 25489 155 1 1 . 1 1 62 62 MET H H 62 7.820 7.820 7.295 0.525 25489 156 1 1 . 1 1 63 63 GLN N N 63 116.274 116.274 116.090 0.184 25489 157 1 1 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.290 -0.049 25489 158 1 1 . 1 1 63 63 GLN H H 63 7.442 7.442 7.517 -0.075 25489 159 1 1 . 1 1 64 64 LYS N N 64 121.450 121.450 119.942 1.508 25489 160 1 1 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.485 0.014 25489 161 1 1 . 1 1 64 64 LYS H H 64 7.474 7.474 7.175 0.299 25489 162 1 1 . 1 1 66 66 ARG N N 66 113.173 113.173 119.697 -6.524 25489 163 1 1 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.705 -0.266 25489 164 1 1 . 1 1 66 66 ARG H H 66 8.151 8.151 7.923 0.228 25489 165 1 1 . 1 1 67 67 CYS N N 67 121.794 121.794 121.184 0.610 25489 166 1 1 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.518 -0.098 25489 167 1 1 . 1 1 67 67 CYS H H 67 7.709 7.709 9.083 -1.374 25489 168 1 1 . 1 1 68 68 GLY N N 68 116.255 116.255 115.694 0.561 25489 169 1 1 . 1 1 68 68 GLY H H 68 9.707 9.707 8.960 0.747 25489 170 1 1 . 1 1 69 69 VAL N N 69 126.541 126.541 115.013 11.528 25489 171 1 1 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.583 -0.776 25489 172 1 1 . 1 1 69 69 VAL H H 69 9.118 9.118 7.145 1.973 25489 173 1 1 . 1 1 71 71 ASP N N 71 119.114 119.114 121.280 -2.166 25489 174 1 1 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.317 0.166 25489 175 1 1 . 1 1 71 71 ASP H H 71 8.067 8.067 8.474 -0.407 25489 176 1 1 . 1 1 72 72 VAL N N 72 112.988 112.988 116.362 -3.374 25489 177 1 1 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.075 0.206 25489 178 1 1 . 1 1 72 72 VAL H H 72 6.438 6.438 7.551 -1.113 25489 179 1 1 . 1 1 73 73 ALA N N 73 125.902 125.902 128.291 -2.389 25489 180 1 1 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.214 0.053 25489 181 1 1 . 1 1 73 73 ALA H H 73 8.171 8.171 6.511 1.660 25489 182 1 1 . 1 1 74 74 GLU N N 74 120.835 120.835 124.204 -3.369 25489 183 1 1 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.218 -0.135 25489 184 1 1 . 1 1 74 74 GLU H H 74 8.385 8.385 8.099 0.286 25489 185 1 1 . 1 1 75 75 TYR N N 75 121.820 121.820 122.104 -0.284 25489 186 1 1 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.790 -0.396 25489 187 1 1 . 1 1 75 75 TYR H H 75 8.102 8.102 7.415 0.687 25489 188 1 1 . 1 1 76 76 SER N N 76 117.881 117.881 117.737 0.144 25489 189 1 1 . 1 1 76 76 SER H H 76 7.718 7.718 8.663 -0.945 25489 190 1 1 . 1 1 77 77 LEU N N 77 123.835 123.835 122.710 1.125 25489 191 1 1 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.150 -0.058 25489 192 1 1 . 1 1 77 77 LEU H H 77 8.033 8.033 8.700 -0.667 25489 193 1 1 . 1 1 78 78 PHE N N 78 118.893 118.893 121.772 -2.879 25489 194 1 1 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.638 0.207 25489 195 1 1 . 1 1 78 78 PHE H H 78 7.822 7.822 8.035 -0.213 25489 196 1 1 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.205 0.126 25489 197 1 1 . 1 1 80 80 ASN N N 80 118.184 118.184 119.869 -1.685 25489 198 1 1 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.723 -0.043 25489 199 1 1 . 1 1 80 80 ASN H H 80 8.106 8.106 8.189 -0.083 25489 200 1 1 . 1 1 81 81 SER HA H 81 4.636 4.636 4.928 -0.292 25489 201 1 1 . 1 1 83 83 LYS N N 83 114.696 114.696 113.282 1.414 25489 202 1 1 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.557 -0.334 25489 203 1 1 . 1 1 83 83 LYS H H 83 7.361 7.361 7.271 0.090 25489 204 1 1 . 1 1 84 84 TRP N N 84 122.459 122.459 122.693 -0.234 25489 205 1 1 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.725 -0.722 25489 206 1 1 . 1 1 84 84 TRP H H 84 8.020 8.020 8.596 -0.576 25489 207 1 1 . 1 1 85 85 THR N N 85 113.482 113.482 119.164 -5.682 25489 208 1 1 . 1 1 85 85 THR HA H 85 4.586 4.586 4.389 0.197 25489 209 1 1 . 1 1 85 85 THR H H 85 8.833 8.833 8.107 0.726 25489 210 1 1 . 1 1 86 86 SER N N 86 117.316 117.316 115.913 1.403 25489 211 1 1 . 1 1 86 86 SER HA H 86 4.665 4.665 4.295 0.370 25489 212 1 1 . 1 1 86 86 SER H H 86 7.724 7.724 7.294 0.430 25489 213 1 1 . 1 1 87 87 LYS N N 87 120.411 120.411 122.329 -1.918 25489 214 1 1 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.225 -0.086 25489 215 1 1 . 1 1 87 87 LYS H H 87 8.312 8.312 8.738 -0.426 25489 216 1 1 . 1 1 88 88 VAL N N 88 117.674 117.674 111.973 5.701 25489 217 1 1 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.561 0.090 25489 218 1 1 . 1 1 88 88 VAL H H 88 7.425 7.425 7.463 -0.038 25489 219 1 1 . 1 1 89 89 VAL N N 89 131.493 131.493 125.989 5.504 25489 220 1 1 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.595 -0.454 25489 221 1 1 . 1 1 89 89 VAL H H 89 8.574 8.574 8.917 -0.343 25489 222 1 1 . 1 1 90 90 THR N N 90 118.245 118.245 118.946 -0.701 25489 223 1 1 . 1 1 90 90 THR HA H 90 5.627 5.627 5.328 0.299 25489 224 1 1 . 1 1 90 90 THR H H 90 9.021 9.021 8.543 0.478 25489 225 1 1 . 1 1 91 91 TYR N N 91 118.267 118.267 120.908 -2.641 25489 226 1 1 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.578 0.096 25489 227 1 1 . 1 1 91 91 TYR H H 91 8.555 8.555 8.839 -0.284 25489 228 1 1 . 1 1 92 92 ARG N N 92 120.260 120.260 122.178 -1.918 25489 229 1 1 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.979 -0.333 25489 230 1 1 . 1 1 92 92 ARG H H 92 8.513 8.513 9.265 -0.752 25489 231 1 1 . 1 1 93 93 ILE N N 93 128.361 128.361 128.347 0.014 25489 232 1 1 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.536 0.083 25489 233 1 1 . 1 1 93 93 ILE H H 93 8.878 8.878 8.954 -0.076 25489 234 1 1 . 1 1 94 94 VAL N N 94 126.374 126.374 123.622 2.752 25489 235 1 1 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.181 -0.181 25489 236 1 1 . 1 1 94 94 VAL H H 94 9.492 9.492 8.206 1.286 25489 237 1 1 . 1 1 95 95 SER N N 95 113.303 113.303 112.764 0.539 25489 238 1 1 . 1 1 95 95 SER HA H 95 4.705 4.705 4.640 0.065 25489 239 1 1 . 1 1 95 95 SER H H 95 7.431 7.431 7.552 -0.121 25489 240 1 1 . 1 1 96 96 TYR N N 96 117.054 117.054 121.406 -4.352 25489 241 1 1 . 1 1 96 96 TYR H H 96 8.255 8.255 8.144 0.111 25489 242 1 1 . 1 1 98 98 ARG N N 98 128.445 128.445 124.604 3.841 25489 243 1 1 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.370 -0.032 25489 244 1 1 . 1 1 98 98 ARG H H 98 8.964 8.964 8.895 0.069 25489 245 1 1 . 1 1 99 99 ASP N N 99 120.412 120.412 118.991 1.421 25489 246 1 1 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.599 -0.264 25489 247 1 1 . 1 1 99 99 ASP H H 99 8.695 8.695 7.628 1.067 25489 248 1 1 . 1 1 100 100 LEU N N 100 116.851 116.851 120.450 -3.599 25489 249 1 1 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.677 0.256 25489 250 1 1 . 1 1 100 100 LEU H H 100 6.902 6.902 7.246 -0.344 25489 251 1 1 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.069 0.098 25489 252 1 1 . 1 1 103 103 ILE N N 103 115.469 115.469 114.950 0.519 25489 253 1 1 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.818 0.355 25489 254 1 1 . 1 1 103 103 ILE H H 103 8.296 8.296 8.066 0.230 25489 255 1 1 . 1 1 104 104 THR N N 104 119.413 119.413 113.797 5.616 25489 256 1 1 . 1 1 104 104 THR HA H 104 4.019 4.019 4.191 -0.172 25489 257 1 1 . 1 1 104 104 THR H H 104 6.915 6.915 7.976 -1.061 25489 258 1 1 . 1 1 105 105 VAL N N 105 123.232 123.232 123.082 0.150 25489 259 1 1 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.680 -0.266 25489 260 1 1 . 1 1 105 105 VAL H H 105 7.379 7.379 7.092 0.287 25489 261 1 1 . 1 1 106 106 ASP N N 106 120.160 120.160 119.880 0.280 25489 262 1 1 . 1 1 106 106 ASP H H 106 8.615 8.615 8.438 0.177 25489 263 1 1 . 1 1 107 107 ARG N N 107 121.041 121.041 119.083 1.958 25489 264 1 1 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.069 0.021 25489 265 1 1 . 1 1 107 107 ARG H H 107 8.372 8.372 7.693 0.679 25489 266 1 1 . 1 1 108 108 LEU N N 108 121.644 121.644 120.194 1.450 25489 267 1 1 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.030 0.223 25489 268 1 1 . 1 1 108 108 LEU H H 108 8.768 8.768 8.280 0.488 25489 269 1 1 . 1 1 109 109 VAL N N 109 120.347 120.347 119.949 0.398 25489 270 1 1 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.342 0.029 25489 271 1 1 . 1 1 109 109 VAL H H 109 8.762 8.762 8.694 0.068 25489 272 1 1 . 1 1 110 110 SER N N 110 112.949 112.949 114.573 -1.624 25489 273 1 1 . 1 1 110 110 SER HA H 110 4.270 4.270 3.758 0.512 25489 274 1 1 . 1 1 110 110 SER H H 110 7.605 7.605 8.060 -0.455 25489 275 1 1 . 1 1 111 111 LYS N N 111 122.434 122.434 121.553 0.881 25489 276 1 1 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.945 0.097 25489 277 1 1 . 1 1 111 111 LYS H H 111 8.146 8.146 7.378 0.768 25489 278 1 1 . 1 1 112 112 ALA N N 112 124.099 124.099 122.348 1.751 25489 279 1 1 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.437 0.640 25489 280 1 1 . 1 1 112 112 ALA H H 112 8.270 8.270 8.149 0.121 25489 281 1 1 . 1 1 113 113 LEU N N 113 116.251 116.251 117.793 -1.542 25489 282 1 1 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.414 0.308 25489 283 1 1 . 1 1 113 113 LEU H H 113 8.019 8.019 7.782 0.237 25489 284 1 1 . 1 1 114 114 ASN N N 114 116.659 116.659 116.902 -0.243 25489 285 1 1 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.477 0.052 25489 286 1 1 . 1 1 114 114 ASN H H 114 8.197 8.197 7.815 0.382 25489 287 1 1 . 1 1 115 115 MET N N 115 122.118 122.118 120.241 1.877 25489 288 1 1 . 1 1 115 115 MET HA H 115 4.013 4.013 4.023 -0.010 25489 289 1 1 . 1 1 115 115 MET H H 115 7.918 7.918 8.075 -0.157 25489 290 1 1 . 1 1 116 116 TRP N N 116 117.117 117.117 117.004 0.113 25489 291 1 1 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.473 0.037 25489 292 1 1 . 1 1 116 116 TRP H H 116 6.773 6.773 8.055 -1.282 25489 293 1 1 . 1 1 117 117 GLY N N 117 104.656 104.656 106.043 -1.387 25489 294 1 1 . 1 1 117 117 GLY H H 117 9.305 9.305 8.547 0.758 25489 295 1 1 . 1 1 118 118 LYS N N 118 118.567 118.567 119.509 -0.942 25489 296 1 1 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.246 -0.069 25489 297 1 1 . 1 1 118 118 LYS H H 118 7.947 7.947 7.588 0.359 25489 298 1 1 . 1 1 119 119 GLU N N 119 113.899 113.899 116.922 -3.023 25489 299 1 1 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.387 0.421 25489 300 1 1 . 1 1 119 119 GLU H H 119 7.773 7.773 7.701 0.072 25489 301 1 1 . 1 1 120 120 ILE N N 120 111.215 111.215 120.160 -8.945 25489 302 1 1 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.903 0.418 25489 303 1 1 . 1 1 120 120 ILE H H 120 7.528 7.528 7.682 -0.154 25489 304 1 1 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.468 0.153 25489 305 1 1 . 1 1 122 122 LEU N N 122 121.481 121.481 118.763 2.718 25489 306 1 1 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.399 -0.107 25489 307 1 1 . 1 1 122 122 LEU H H 122 6.815 6.815 7.530 -0.715 25489 308 1 1 . 1 1 123 123 HIS N N 123 120.769 120.769 119.626 1.143 25489 309 1 1 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.799 -0.207 25489 310 1 1 . 1 1 123 123 HIS H H 123 7.709 7.709 8.299 -0.590 25489 311 1 1 . 1 1 124 124 PHE N N 124 120.530 120.530 121.333 -0.803 25489 312 1 1 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.013 0.799 25489 313 1 1 . 1 1 124 124 PHE H H 124 8.306 8.306 7.589 0.717 25489 314 1 1 . 1 1 125 125 ARG N N 125 123.891 123.891 123.651 0.240 25489 315 1 1 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.751 -0.098 25489 316 1 1 . 1 1 125 125 ARG H H 125 8.408 8.408 8.642 -0.234 25489 317 1 1 . 1 1 126 126 LYS N N 126 130.178 130.178 126.109 4.069 25489 318 1 1 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.568 -0.207 25489 319 1 1 . 1 1 126 126 LYS H H 126 8.468 8.468 8.587 -0.119 25489 320 1 1 . 1 1 127 127 VAL N N 127 125.180 125.180 126.243 -1.063 25489 321 1 1 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.392 0.116 25489 322 1 1 . 1 1 127 127 VAL H H 127 8.679 8.679 7.817 0.862 25489 323 1 1 . 1 1 128 128 VAL N N 128 117.584 117.584 118.660 -1.076 25489 324 1 1 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.420 -0.134 25489 325 1 1 . 1 1 128 128 VAL H H 128 8.469 8.469 8.448 0.021 25489 326 1 1 . 1 1 129 129 TRP N N 129 119.805 119.805 119.616 0.189 25489 327 1 1 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.623 0.063 25489 328 1 1 . 1 1 129 129 TRP H H 129 7.447 7.447 7.517 -0.070 25489 329 1 1 . 1 1 130 130 GLY N N 130 109.844 109.844 111.885 -2.041 25489 330 1 1 . 1 1 130 130 GLY H H 130 8.072 8.072 7.845 0.227 25489 331 1 1 . 1 1 131 131 THR N N 131 116.125 116.125 112.664 3.461 25489 332 1 1 . 1 1 131 131 THR HA H 131 4.123 4.123 4.199 -0.076 25489 333 1 1 . 1 1 131 131 THR H H 131 8.196 8.196 8.200 -0.004 25489 334 1 1 . 1 1 132 132 ALA N N 132 129.613 129.613 129.887 -0.274 25489 335 1 1 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.475 0.036 25489 336 1 1 . 1 1 132 132 ALA H H 132 7.919 7.919 8.455 -0.536 25489 337 1 1 . 1 1 133 133 ASP N N 133 123.004 123.004 119.736 3.268 25489 338 1 1 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.819 -0.377 25489 339 1 1 . 1 1 133 133 ASP H H 133 8.248 8.248 8.347 -0.099 25489 340 1 1 . 1 1 134 134 ILE N N 134 125.478 125.478 122.877 2.601 25489 341 1 1 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.245 -0.152 25489 342 1 1 . 1 1 134 134 ILE H H 134 8.804 8.804 8.171 0.633 25489 343 1 1 . 1 1 135 135 MET N N 135 127.471 127.471 127.766 -0.295 25489 344 1 1 . 1 1 135 135 MET HA H 135 5.194 5.194 5.344 -0.150 25489 345 1 1 . 1 1 135 135 MET H H 135 7.437 7.437 9.187 -1.750 25489 346 1 1 . 1 1 136 136 ILE N N 136 125.040 125.040 125.003 0.037 25489 347 1 1 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.105 0.472 25489 348 1 1 . 1 1 136 136 ILE H H 136 9.085 9.085 8.322 0.763 25489 349 1 1 . 1 1 137 137 GLY N N 137 112.059 112.059 114.061 -2.002 25489 350 1 1 . 1 1 137 137 GLY H H 137 8.568 8.568 8.760 -0.192 25489 351 1 1 . 1 1 138 138 PHE N N 138 119.447 119.447 120.531 -1.084 25489 352 1 1 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.409 0.045 25489 353 1 1 . 1 1 138 138 PHE H H 138 7.861 7.861 7.796 0.065 25489 354 1 1 . 1 1 139 139 ALA N N 139 123.657 123.657 125.339 -1.682 25489 355 1 1 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.704 0.031 25489 356 1 1 . 1 1 139 139 ALA H H 139 8.939 8.939 9.171 -0.232 25489 357 1 1 . 1 1 140 140 ARG N N 140 118.688 118.688 120.124 -1.436 25489 358 1 1 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.493 0.581 25489 359 1 1 . 1 1 140 140 ARG H H 140 8.563 8.563 8.485 0.078 25489 360 1 1 . 1 1 141 141 GLY N N 141 108.964 108.964 107.339 1.625 25489 361 1 1 . 1 1 141 141 GLY H H 141 9.018 9.018 8.194 0.824 25489 362 1 1 . 1 1 143 143 HIS N N 143 120.218 120.218 113.184 7.034 25489 363 1 1 . 1 1 143 143 HIS H H 143 8.998 8.998 8.018 0.980 25489 364 1 1 . 1 1 145 145 ASP N N 145 117.684 117.684 118.501 -0.817 25489 365 1 1 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.578 0.122 25489 366 1 1 . 1 1 145 145 ASP H H 145 7.088 7.088 8.334 -1.246 25489 367 1 1 . 1 1 146 146 SER HA H 146 4.140 4.140 4.453 -0.313 25489 368 1 1 . 1 1 146 146 SER H H 146 8.220 8.220 7.485 0.735 25489 369 1 1 . 1 1 147 147 TYR N N 147 120.867 120.867 124.439 -3.572 25489 370 1 1 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.234 0.554 25489 371 1 1 . 1 1 147 147 TYR H H 147 7.459 7.459 8.731 -1.272 25489 372 1 1 . 1 1 149 149 PHE N N 149 120.630 120.630 121.442 -0.812 25489 373 1 1 . 1 1 149 149 PHE H H 149 8.018 8.018 8.769 -0.751 25489 374 1 1 . 1 1 150 150 ASP N N 150 115.626 115.626 115.781 -0.155 25489 375 1 1 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.406 0.437 25489 376 1 1 . 1 1 150 150 ASP H H 150 7.543 7.543 7.812 -0.269 25489 377 1 1 . 1 1 151 151 GLY N N 151 110.700 110.700 108.420 2.280 25489 378 1 1 . 1 1 151 151 GLY H H 151 9.074 9.074 8.474 0.600 25489 379 1 1 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.380 -0.354 25489 380 1 1 . 1 1 153 153 GLY N N 153 118.786 118.786 116.124 2.662 25489 381 1 1 . 1 1 153 153 GLY H H 153 11.385 11.385 8.264 3.121 25489 382 1 1 . 1 1 154 154 ASN N N 154 120.613 120.613 125.017 -4.404 25489 383 1 1 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.321 -0.123 25489 384 1 1 . 1 1 154 154 ASN H H 154 9.225 9.225 8.534 0.691 25489 385 1 1 . 1 1 155 155 THR N N 155 118.700 118.700 116.103 2.597 25489 386 1 1 . 1 1 155 155 THR HA H 155 5.542 5.542 4.045 1.497 25489 387 1 1 . 1 1 155 155 THR H H 155 9.519 9.519 8.695 0.824 25489 388 1 1 . 1 1 156 156 LEU N N 156 122.765 122.765 123.726 -0.961 25489 389 1 1 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.802 0.140 25489 390 1 1 . 1 1 156 156 LEU H H 156 8.500 8.500 9.035 -0.535 25489 391 1 1 . 1 1 157 157 ALA N N 157 115.545 115.545 118.407 -2.862 25489 392 1 1 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.583 0.424 25489 393 1 1 . 1 1 157 157 ALA H H 157 7.545 7.545 7.499 0.046 25489 394 1 1 . 1 1 158 158 HIS N N 158 111.868 111.868 115.609 -3.741 25489 395 1 1 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.001 -0.384 25489 396 1 1 . 1 1 158 158 HIS H H 158 8.774 8.774 8.666 0.108 25489 397 1 1 . 1 1 159 159 ALA N N 159 118.565 118.565 125.844 -7.279 25489 398 1 1 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.676 -0.019 25489 399 1 1 . 1 1 159 159 ALA H H 159 6.114 6.114 8.218 -2.104 25489 400 1 1 . 1 1 160 160 PHE N N 160 118.042 118.042 120.912 -2.870 25489 401 1 1 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.629 -0.148 25489 402 1 1 . 1 1 160 160 PHE H H 160 7.897 7.897 7.915 -0.018 25489 403 1 1 . 1 1 161 161 ALA N N 161 123.548 123.548 124.369 -0.821 25489 404 1 1 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.207 0.276 25489 405 1 1 . 1 1 161 161 ALA H H 161 8.089 8.089 8.531 -0.442 25489 406 1 1 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.438 -1.567 25489 407 1 1 . 1 1 163 163 GLY N N 163 107.255 107.255 109.843 -2.588 25489 408 1 1 . 1 1 163 163 GLY H H 163 5.992 5.992 7.454 -1.462 25489 409 1 1 . 1 1 165 165 GLY H H 165 9.149 9.149 7.963 1.186 25489 410 1 1 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.278 -0.125 25489 411 1 1 . 1 1 167 167 GLY N N 167 103.338 103.338 104.393 -1.055 25489 412 1 1 . 1 1 167 167 GLY H H 167 7.774 7.774 7.296 0.478 25489 413 1 1 . 1 1 168 168 GLY N N 168 121.031 121.031 110.310 10.721 25489 414 1 1 . 1 1 168 168 GLY H H 168 7.685 7.685 8.034 -0.349 25489 415 1 1 . 1 1 169 169 ASP N N 169 123.703 123.703 122.732 0.971 25489 416 1 1 . 1 1 169 169 ASP H H 169 8.578 8.578 7.866 0.712 25489 417 1 1 . 1 1 170 170 ALA N N 170 119.569 119.569 120.506 -0.937 25489 418 1 1 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.798 -0.094 25489 419 1 1 . 1 1 170 170 ALA H H 170 8.371 8.371 8.264 0.107 25489 420 1 1 . 1 1 171 171 HIS N N 171 120.286 120.286 122.639 -2.353 25489 421 1 1 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.179 0.551 25489 422 1 1 . 1 1 171 171 HIS H H 171 8.513 8.513 8.549 -0.036 25489 423 1 1 . 1 1 172 172 PHE N N 172 120.919 120.919 122.431 -1.512 25489 424 1 1 . 1 1 172 172 PHE H H 172 8.457 8.457 8.879 -0.422 25489 425 1 1 . 1 1 173 173 ASP N N 173 123.993 123.993 120.491 3.502 25489 426 1 1 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.308 -1.412 25489 427 1 1 . 1 1 173 173 ASP H H 173 7.915 7.915 9.194 -1.279 25489 428 1 1 . 1 1 174 174 GLU N N 174 132.684 132.684 126.292 6.392 25489 429 1 1 . 1 1 174 174 GLU H H 174 9.461 9.461 8.613 0.848 25489 430 1 1 . 1 1 175 175 ASP N N 175 117.313 117.313 118.547 -1.234 25489 431 1 1 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.675 0.122 25489 432 1 1 . 1 1 175 175 ASP H H 175 8.756 8.756 7.875 0.881 25489 433 1 1 . 1 1 176 176 GLU N N 176 116.511 116.511 120.114 -3.603 25489 434 1 1 . 1 1 176 176 GLU H H 176 7.154 7.154 8.117 -0.963 25489 435 1 1 . 1 1 177 177 ARG N N 177 121.920 121.920 122.816 -0.896 25489 436 1 1 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.447 0.178 25489 437 1 1 . 1 1 177 177 ARG H H 177 7.555 7.555 8.247 -0.692 25489 438 1 1 . 1 1 178 178 TRP N N 178 129.182 129.182 125.438 3.744 25489 439 1 1 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.562 -0.449 25489 440 1 1 . 1 1 178 178 TRP H H 178 8.788 8.788 8.598 0.190 25489 441 1 1 . 1 1 179 179 THR N N 179 112.874 112.874 114.174 -1.300 25489 442 1 1 . 1 1 179 179 THR HA H 179 5.015 5.015 4.738 0.277 25489 443 1 1 . 1 1 179 179 THR H H 179 8.946 8.946 8.553 0.393 25489 444 1 1 . 1 1 180 180 ASP N N 180 121.969 121.969 123.244 -1.275 25489 445 1 1 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.873 -0.451 25489 446 1 1 . 1 1 180 180 ASP H H 180 8.478 8.478 8.775 -0.297 25489 447 1 1 . 1 1 181 181 GLY N N 181 110.059 110.059 107.974 2.085 25489 448 1 1 . 1 1 181 181 GLY H H 181 8.572 8.572 8.275 0.297 25489 449 1 1 . 1 1 182 182 SER N N 182 115.564 115.564 115.758 -0.194 25489 450 1 1 . 1 1 182 182 SER HA H 182 4.599 4.599 4.525 0.074 25489 451 1 1 . 1 1 182 182 SER H H 182 8.173 8.173 7.800 0.373 25489 452 1 1 . 1 1 183 183 SER N N 183 117.066 117.066 114.365 2.701 25489 453 1 1 . 1 1 183 183 SER H H 183 7.819 7.819 7.949 -0.130 25489 454 1 1 . 1 1 184 184 LEU N N 184 121.954 121.954 122.619 -0.665 25489 455 1 1 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.273 0.089 25489 456 1 1 . 1 1 184 184 LEU H H 184 8.104 8.104 7.905 0.199 25489 457 1 1 . 1 1 185 185 GLY N N 185 108.989 108.989 105.769 3.220 25489 458 1 1 . 1 1 185 185 GLY H H 185 7.954 7.954 7.292 0.662 25489 459 1 1 . 1 1 186 186 ILE N N 186 123.084 123.084 120.517 2.567 25489 460 1 1 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.652 0.127 25489 461 1 1 . 1 1 186 186 ILE H H 186 8.878 8.878 8.260 0.618 25489 462 1 1 . 1 1 187 187 ASN N N 187 126.999 126.999 124.556 2.443 25489 463 1 1 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.644 -0.248 25489 464 1 1 . 1 1 187 187 ASN H H 187 8.575 8.575 7.613 0.962 25489 465 1 1 . 1 1 188 188 PHE N N 188 129.819 129.819 127.820 1.999 25489 466 1 1 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.521 0.070 25489 467 1 1 . 1 1 188 188 PHE H H 188 9.365 9.365 8.251 1.114 25489 468 1 1 . 1 1 189 189 LEU N N 189 119.292 119.292 121.028 -1.736 25489 469 1 1 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.567 0.266 25489 470 1 1 . 1 1 189 189 LEU H H 189 8.551 8.551 8.083 0.468 25489 471 1 1 . 1 1 191 191 ALA N N 191 120.347 120.347 119.149 1.198 25489 472 1 1 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.304 -0.007 25489 473 1 1 . 1 1 191 191 ALA H H 191 7.973 7.973 7.631 0.342 25489 474 1 1 . 1 1 192 192 ALA N N 192 121.365 121.365 120.273 1.092 25489 475 1 1 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.110 -0.093 25489 476 1 1 . 1 1 192 192 ALA H H 192 9.258 9.258 7.978 1.280 25489 477 1 1 . 1 1 193 193 THR N N 193 117.027 117.027 112.242 4.785 25489 478 1 1 . 1 1 193 193 THR HA H 193 3.825 3.825 3.519 0.306 25489 479 1 1 . 1 1 193 193 THR H H 193 8.209 8.209 7.562 0.647 25489 480 1 1 . 1 1 194 194 HIS N N 194 120.231 120.231 122.053 -1.822 25489 481 1 1 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.228 0.005 25489 482 1 1 . 1 1 194 194 HIS H H 194 7.805 7.805 7.939 -0.134 25489 483 1 1 . 1 1 195 195 ALA N N 195 121.346 121.346 121.373 -0.027 25489 484 1 1 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.966 0.214 25489 485 1 1 . 1 1 195 195 ALA H H 195 8.693 8.693 7.768 0.925 25489 486 1 1 . 1 1 196 196 LEU N N 196 114.951 114.951 115.962 -1.011 25489 487 1 1 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.258 -0.100 25489 488 1 1 . 1 1 196 196 LEU H H 196 8.714 8.714 7.628 1.086 25489 489 1 1 . 1 1 197 197 GLY N N 197 107.954 107.954 106.104 1.850 25489 490 1 1 . 1 1 197 197 GLY H H 197 7.540 7.540 8.273 -0.733 25489 491 1 1 . 1 1 198 198 HIS N N 198 121.996 121.996 118.485 3.511 25489 492 1 1 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.610 0.199 25489 493 1 1 . 1 1 198 198 HIS H H 198 7.205 7.205 7.498 -0.293 25489 494 1 1 . 1 1 199 199 SER N N 199 118.570 118.570 114.474 4.096 25489 495 1 1 . 1 1 199 199 SER HA H 199 4.448 4.448 4.279 0.169 25489 496 1 1 . 1 1 199 199 SER H H 199 7.886 7.886 7.963 -0.077 25489 497 1 1 . 1 1 200 200 LEU N N 200 114.779 114.779 119.324 -4.545 25489 498 1 1 . 1 1 200 200 LEU H H 200 7.106 7.106 7.473 -0.367 25489 499 1 1 . 1 1 201 201 GLY N N 201 108.350 108.350 104.774 3.576 25489 500 1 1 . 1 1 201 201 GLY H H 201 8.213 8.213 7.495 0.718 25489 501 1 1 . 1 1 202 202 MET N N 202 119.623 119.623 120.717 -1.094 25489 502 1 1 . 1 1 202 202 MET HA H 202 4.484 4.484 4.317 0.167 25489 503 1 1 . 1 1 202 202 MET H H 202 8.189 8.189 7.930 0.259 25489 504 1 1 . 1 1 203 203 GLY N N 203 109.770 109.770 108.296 1.474 25489 505 1 1 . 1 1 203 203 GLY H H 203 8.413 8.413 7.902 0.511 25489 506 1 1 . 1 1 204 204 HIS N N 204 115.793 115.793 116.160 -0.367 25489 507 1 1 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.814 0.560 25489 508 1 1 . 1 1 204 204 HIS H H 204 8.383 8.383 8.144 0.239 25489 509 1 1 . 1 1 205 205 SER N N 205 115.497 115.497 114.261 1.236 25489 510 1 1 . 1 1 205 205 SER HA H 205 4.721 4.721 4.663 0.058 25489 511 1 1 . 1 1 205 205 SER H H 205 7.223 7.223 8.183 -0.960 25489 512 1 1 . 1 1 206 206 SER N N 206 119.268 119.268 117.641 1.627 25489 513 1 1 . 1 1 206 206 SER HA H 206 3.721 3.721 4.627 -0.906 25489 514 1 1 . 1 1 206 206 SER H H 206 8.290 8.290 8.844 -0.554 25489 515 1 1 . 1 1 207 207 ASP N N 207 126.656 126.656 122.869 3.787 25489 516 1 1 . 1 1 207 207 ASP H H 207 8.541 8.541 8.192 0.349 25489 517 1 1 . 1 1 209 209 ASN N N 209 115.911 115.911 115.113 0.798 25489 518 1 1 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.811 -0.195 25489 519 1 1 . 1 1 209 209 ASN H H 209 8.374 8.374 8.154 0.220 25489 520 1 1 . 1 1 210 210 ALA N N 210 124.929 124.929 122.803 2.126 25489 521 1 1 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.381 -0.227 25489 522 1 1 . 1 1 210 210 ALA H H 210 8.182 8.182 7.413 0.769 25489 523 1 1 . 1 1 211 211 VAL N N 211 130.383 130.383 121.828 8.555 25489 524 1 1 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.852 0.398 25489 525 1 1 . 1 1 211 211 VAL H H 211 11.554 11.554 9.635 1.919 25489 526 1 1 . 1 1 212 212 MET N N 212 113.319 113.319 115.752 -2.433 25489 527 1 1 . 1 1 212 212 MET H H 212 7.741 7.741 8.445 -0.704 25489 528 1 1 . 1 1 213 213 TYR N N 213 130.006 130.006 122.975 7.031 25489 529 1 1 . 1 1 213 213 TYR H H 213 7.899 7.899 7.547 0.352 25489 530 1 1 . 1 1 215 215 THR N N 215 104.747 104.747 106.834 -2.087 25489 531 1 1 . 1 1 215 215 THR HA H 215 4.404 4.404 4.579 -0.175 25489 532 1 1 . 1 1 215 215 THR H H 215 6.402 6.402 7.253 -0.851 25489 533 1 1 . 1 1 216 216 TYR N N 216 124.699 124.699 127.387 -2.688 25489 534 1 1 . 1 1 216 216 TYR H H 216 8.341 8.341 8.698 -0.357 25489 535 1 1 . 1 1 217 217 GLY N N 217 116.288 116.288 111.507 4.781 25489 536 1 1 . 1 1 217 217 GLY H H 217 7.685 7.685 7.665 0.020 25489 537 1 1 . 1 1 218 218 ASN N N 218 119.920 119.920 116.628 3.292 25489 538 1 1 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.425 0.195 25489 539 1 1 . 1 1 218 218 ASN H H 218 8.221 8.221 8.469 -0.248 25489 540 1 1 . 1 1 219 219 GLY N N 219 109.601 109.601 107.470 2.131 25489 541 1 1 . 1 1 219 219 GLY H H 219 8.072 8.072 7.574 0.498 25489 542 1 1 . 1 1 220 220 ASP N N 220 123.006 123.006 122.609 0.397 25489 543 1 1 . 1 1 220 220 ASP H H 220 8.280 8.280 8.214 0.066 25489 544 1 1 . 1 1 222 222 GLN N N 222 116.642 116.642 122.502 -5.860 25489 545 1 1 . 1 1 222 222 GLN H H 222 8.215 8.215 8.666 -0.451 25489 546 1 1 . 1 1 223 223 ASN N N 223 118.361 118.361 116.571 1.790 25489 547 1 1 . 1 1 223 223 ASN H H 223 7.970 7.970 8.175 -0.205 25489 548 1 1 . 1 1 225 225 LYS N N 225 122.215 122.215 127.115 -4.900 25489 549 1 1 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.586 -0.170 25489 550 1 1 . 1 1 225 225 LYS H H 225 7.656 7.656 7.916 -0.260 25489 551 1 1 . 1 1 226 226 LEU N N 226 119.165 119.165 126.246 -7.081 25489 552 1 1 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.613 -0.525 25489 553 1 1 . 1 1 226 226 LEU H H 226 7.984 7.984 8.597 -0.613 25489 554 1 1 . 1 1 227 227 SER N N 227 120.520 120.520 119.133 1.387 25489 555 1 1 . 1 1 227 227 SER HA H 227 4.676 4.676 4.672 0.004 25489 556 1 1 . 1 1 227 227 SER H H 227 9.646 9.646 9.424 0.222 25489 557 1 1 . 1 1 228 228 GLN HA H 228 4.674 4.674 3.973 0.701 25489 558 1 1 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.480 -0.106 25489 559 1 1 . 1 1 229 229 ASP H H 229 8.113 8.113 8.282 -0.169 25489 560 1 1 . 1 1 230 230 ASP N N 230 119.878 119.878 119.423 0.455 25489 561 1 1 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.383 -0.045 25489 562 1 1 . 1 1 230 230 ASP H H 230 7.397 7.397 7.468 -0.071 25489 563 1 1 . 1 1 231 231 ILE N N 231 120.389 120.389 120.916 -0.527 25489 564 1 1 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.650 0.005 25489 565 1 1 . 1 1 231 231 ILE H H 231 8.100 8.100 8.253 -0.153 25489 566 1 1 . 1 1 232 232 LYS N N 232 119.084 119.084 119.698 -0.614 25489 567 1 1 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.006 0.089 25489 568 1 1 . 1 1 232 232 LYS H H 232 8.581 8.581 8.380 0.201 25489 569 1 1 . 1 1 233 233 GLY N N 233 106.424 106.424 105.182 1.242 25489 570 1 1 . 1 1 233 233 GLY H H 233 8.061 8.061 7.830 0.231 25489 571 1 1 . 1 1 234 234 ILE N N 234 125.166 125.166 122.621 2.545 25489 572 1 1 . 1 1 234 234 ILE H H 234 8.517 8.517 7.308 1.209 25489 573 1 1 . 1 1 235 235 GLN N N 235 122.969 122.969 119.934 3.035 25489 574 1 1 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.152 0.229 25489 575 1 1 . 1 1 235 235 GLN H H 235 8.291 8.291 8.038 0.253 25489 576 1 1 . 1 1 236 236 LYS N N 236 123.770 123.770 118.216 5.554 25489 577 1 1 . 1 1 236 236 LYS H H 236 8.035 8.035 7.753 0.282 25489 578 1 1 . 1 1 237 237 LEU N N 237 116.854 116.854 120.001 -3.147 25489 579 1 1 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.165 -0.206 25489 580 1 1 . 1 1 237 237 LEU H H 237 6.886 6.886 7.428 -0.542 25489 581 1 1 . 1 1 238 238 TYR N N 238 112.132 112.132 118.687 -6.555 25489 582 1 1 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.541 0.085 25489 583 1 1 . 1 1 238 238 TYR H H 238 7.459 7.459 7.361 0.099 25489 584 1 1 . 1 1 239 239 GLY N N 239 110.898 110.898 107.447 3.451 25489 585 1 1 . 1 1 239 239 GLY H H 239 8.442 8.442 7.295 1.147 25489 586 1 1 . 1 1 240 240 LYS N N 240 114.400 114.400 121.080 -6.680 25489 587 1 1 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.340 0.464 25489 588 1 1 . 1 1 240 240 LYS H H 240 7.865 7.865 8.535 -0.670 25489 589 1 1 . 1 1 241 241 ARG N N 241 123.851 123.851 123.486 0.365 25489 590 1 1 . 1 1 241 241 ARG H H 241 7.760 7.760 8.440 -0.680 25489 591 1 1 . 1 1 242 242 SER N N 242 135.647 135.647 114.984 20.663 25489 592 1 1 . 1 1 242 242 SER H H 242 9.158 9.158 8.372 0.786 25489 593 1 2 . 1 1 3 3 GLU N N 3 121.690 121.690 120.256 1.434 25489 594 1 2 . 1 1 3 3 GLU H H 3 8.332 8.332 8.373 -0.041 25489 595 1 2 . 1 1 4 4 ALA N N 4 124.526 124.526 121.681 2.845 25489 596 1 2 . 1 1 4 4 ALA H H 4 8.111 8.111 8.215 -0.104 25489 597 1 2 . 1 1 5 5 GLY N N 5 108.229 108.229 104.428 3.801 25489 598 1 2 . 1 1 5 5 GLY H H 5 8.286 8.286 8.016 0.270 25489 599 1 2 . 1 1 6 6 GLY N N 6 108.867 108.867 108.956 -0.089 25489 600 1 2 . 1 1 6 6 GLY H H 6 8.239 8.239 7.529 0.710 25489 601 1 2 . 1 1 7 7 MET N N 7 119.984 119.984 120.358 -0.374 25489 602 1 2 . 1 1 7 7 MET H H 7 8.044 8.044 7.491 0.553 25489 603 1 2 . 1 1 8 8 SER N N 8 118.771 118.771 119.381 -0.610 25489 604 1 2 . 1 1 8 8 SER HA H 8 4.239 4.239 4.606 -0.367 25489 605 1 2 . 1 1 8 8 SER H H 8 8.738 8.738 8.456 0.282 25489 606 1 2 . 1 1 9 9 GLU N N 9 122.551 122.551 124.232 -1.681 25489 607 1 2 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.152 0.100 25489 608 1 2 . 1 1 9 9 GLU H H 9 8.919 8.919 9.156 -0.237 25489 609 1 2 . 1 1 10 10 LEU N N 10 120.638 120.638 118.990 1.648 25489 610 1 2 . 1 1 10 10 LEU H H 10 8.017 8.017 8.019 -0.002 25489 611 1 2 . 1 1 11 11 GLN N N 11 119.889 119.889 118.070 1.819 25489 612 1 2 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.066 0.068 25489 613 1 2 . 1 1 11 11 GLN H H 11 7.807 7.807 7.648 0.159 25489 614 1 2 . 1 1 12 12 TRP N N 12 120.951 120.951 121.517 -0.566 25489 615 1 2 . 1 1 12 12 TRP H H 12 8.202 8.202 7.749 0.453 25489 616 1 2 . 1 1 13 13 GLU N N 13 121.870 121.870 118.426 3.444 25489 617 1 2 . 1 1 13 13 GLU H H 13 8.436 8.436 7.959 0.477 25489 618 1 2 . 1 1 14 14 GLN N N 14 120.646 120.646 118.624 2.022 25489 619 1 2 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.757 0.412 25489 620 1 2 . 1 1 14 14 GLN H H 14 8.159 8.159 7.424 0.735 25489 621 1 2 . 1 1 15 15 ALA N N 15 123.216 123.216 122.626 0.590 25489 622 1 2 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.745 0.593 25489 623 1 2 . 1 1 15 15 ALA H H 15 8.355 8.355 7.943 0.412 25489 624 1 2 . 1 1 16 16 GLN N N 16 117.766 117.766 118.402 -0.636 25489 625 1 2 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.629 0.076 25489 626 1 2 . 1 1 16 16 GLN H H 16 8.440 8.440 7.919 0.521 25489 627 1 2 . 1 1 17 17 ASP N N 17 120.090 120.090 120.206 -0.116 25489 628 1 2 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.250 0.213 25489 629 1 2 . 1 1 17 17 ASP H H 17 7.899 7.899 7.550 0.349 25489 630 1 2 . 1 1 18 18 TYR N N 18 122.296 122.296 117.804 4.492 25489 631 1 2 . 1 1 18 18 TYR H H 18 8.264 8.264 7.651 0.613 25489 632 1 2 . 1 1 19 19 LEU N N 19 117.675 117.675 118.951 -1.276 25489 633 1 2 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.171 -0.046 25489 634 1 2 . 1 1 19 19 LEU H H 19 8.687 8.687 7.739 0.948 25489 635 1 2 . 1 1 20 20 LYS N N 20 124.620 124.620 119.090 5.530 25489 636 1 2 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.180 -0.037 25489 637 1 2 . 1 1 20 20 LYS H H 20 8.790 8.790 8.054 0.736 25489 638 1 2 . 1 1 21 21 ARG N N 21 117.608 117.608 117.803 -0.195 25489 639 1 2 . 1 1 21 21 ARG HA H 21 3.697 3.697 3.969 -0.272 25489 640 1 2 . 1 1 21 21 ARG H H 21 7.835 7.835 7.783 0.052 25489 641 1 2 . 1 1 22 22 PHE N N 22 112.136 112.136 116.345 -4.209 25489 642 1 2 . 1 1 22 22 PHE H H 22 8.003 8.003 8.170 -0.167 25489 643 1 2 . 1 1 23 23 TYR N N 23 116.244 116.244 115.868 0.376 25489 644 1 2 . 1 1 23 23 TYR H H 23 7.678 7.678 7.847 -0.169 25489 645 1 2 . 1 1 24 24 LEU N N 24 115.582 115.582 115.516 0.066 25489 646 1 2 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.485 -0.350 25489 647 1 2 . 1 1 24 24 LEU H H 24 7.238 7.238 7.730 -0.492 25489 648 1 2 . 1 1 25 25 TYR N N 25 119.996 119.996 124.576 -4.580 25489 649 1 2 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.572 -0.167 25489 650 1 2 . 1 1 25 25 TYR H H 25 7.826 7.826 8.430 -0.604 25489 651 1 2 . 1 1 26 26 ASP N N 26 129.292 129.292 126.805 2.487 25489 652 1 2 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.418 0.043 25489 653 1 2 . 1 1 26 26 ASP H H 26 8.121 8.121 7.669 0.452 25489 654 1 2 . 1 1 28 28 GLU N N 28 122.115 122.115 121.026 1.089 25489 655 1 2 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.213 0.068 25489 656 1 2 . 1 1 28 28 GLU H H 28 8.262 8.262 7.944 0.318 25489 657 1 2 . 1 1 29 29 THR N N 29 114.171 114.171 113.525 0.646 25489 658 1 2 . 1 1 29 29 THR HA H 29 4.222 4.222 4.354 -0.132 25489 659 1 2 . 1 1 29 29 THR H H 29 7.496 7.496 7.617 -0.121 25489 660 1 2 . 1 1 30 30 LYS N N 30 123.019 123.019 123.974 -0.955 25489 661 1 2 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.301 -0.083 25489 662 1 2 . 1 1 30 30 LYS H H 30 8.154 8.154 7.371 0.783 25489 663 1 2 . 1 1 32 32 ALA N N 32 126.481 126.481 129.017 -2.536 25489 664 1 2 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.166 0.084 25489 665 1 2 . 1 1 32 32 ALA H H 32 8.424 8.424 8.854 -0.430 25489 666 1 2 . 1 1 33 33 ASN N N 33 116.834 116.834 115.445 1.389 25489 667 1 2 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.485 0.213 25489 668 1 2 . 1 1 33 33 ASN H H 33 8.312 8.312 8.419 -0.107 25489 669 1 2 . 1 1 34 34 SER N N 34 116.960 116.960 117.085 -0.125 25489 670 1 2 . 1 1 34 34 SER HA H 34 4.522 4.522 4.335 0.187 25489 671 1 2 . 1 1 34 34 SER H H 34 8.112 8.112 8.015 0.097 25489 672 1 2 . 1 1 35 35 LEU N N 35 125.335 125.335 122.228 3.107 25489 673 1 2 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.994 -0.443 25489 674 1 2 . 1 1 35 35 LEU H H 35 8.324 8.324 8.843 -0.519 25489 675 1 2 . 1 1 36 36 GLU N N 36 119.302 119.302 119.588 -0.286 25489 676 1 2 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.409 -0.466 25489 677 1 2 . 1 1 36 36 GLU H H 36 8.239 8.239 7.793 0.446 25489 678 1 2 . 1 1 37 37 ALA N N 37 120.683 120.683 122.598 -1.915 25489 679 1 2 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.123 -0.076 25489 680 1 2 . 1 1 37 37 ALA H H 37 7.898 7.898 8.026 -0.128 25489 681 1 2 . 1 1 38 38 LYS N N 38 119.470 119.470 118.198 1.272 25489 682 1 2 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.105 0.228 25489 683 1 2 . 1 1 38 38 LYS H H 38 8.217 8.217 7.875 0.342 25489 684 1 2 . 1 1 39 39 LEU N N 39 122.664 122.664 120.145 2.519 25489 685 1 2 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.112 -0.198 25489 686 1 2 . 1 1 39 39 LEU H H 39 8.658 8.658 8.096 0.562 25489 687 1 2 . 1 1 40 40 LYS N N 40 118.301 118.301 118.949 -0.648 25489 688 1 2 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.044 0.629 25489 689 1 2 . 1 1 40 40 LYS H H 40 8.221 8.221 8.168 0.053 25489 690 1 2 . 1 1 41 41 GLU N N 41 121.462 121.462 119.410 2.052 25489 691 1 2 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.164 -0.096 25489 692 1 2 . 1 1 41 41 GLU H H 41 7.736 7.736 7.632 0.104 25489 693 1 2 . 1 1 42 42 MET N N 42 123.761 123.761 120.384 3.377 25489 694 1 2 . 1 1 42 42 MET HA H 42 4.046 4.046 4.559 -0.513 25489 695 1 2 . 1 1 42 42 MET H H 42 7.672 7.672 7.765 -0.093 25489 696 1 2 . 1 1 43 43 GLN N N 43 120.035 120.035 119.143 0.892 25489 697 1 2 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.960 -0.164 25489 698 1 2 . 1 1 43 43 GLN H H 43 8.904 8.904 8.839 0.065 25489 699 1 2 . 1 1 44 44 LYS N N 44 119.131 119.131 118.069 1.062 25489 700 1 2 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.294 -0.242 25489 701 1 2 . 1 1 44 44 LYS H H 44 8.511 8.511 8.158 0.353 25489 702 1 2 . 1 1 45 45 PHE N N 45 123.544 123.544 120.821 2.723 25489 703 1 2 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.312 -0.462 25489 704 1 2 . 1 1 45 45 PHE H H 45 8.438 8.438 7.882 0.556 25489 705 1 2 . 1 1 46 46 PHE N N 46 112.789 112.789 115.738 -2.949 25489 706 1 2 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.446 0.136 25489 707 1 2 . 1 1 46 46 PHE H H 46 8.273 8.273 8.247 0.026 25489 708 1 2 . 1 1 47 47 GLY N N 47 110.408 110.408 105.698 4.710 25489 709 1 2 . 1 1 47 47 GLY H H 47 7.922 7.922 7.692 0.230 25489 710 1 2 . 1 1 48 48 LEU N N 48 121.853 121.853 123.034 -1.181 25489 711 1 2 . 1 1 48 48 LEU H H 48 8.747 8.747 8.048 0.699 25489 712 1 2 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.362 -0.161 25489 713 1 2 . 1 1 50 50 ILE N N 50 127.000 127.000 122.027 4.973 25489 714 1 2 . 1 1 50 50 ILE H H 50 8.529 8.529 7.812 0.717 25489 715 1 2 . 1 1 51 51 THR N N 51 116.519 116.519 117.844 -1.325 25489 716 1 2 . 1 1 51 51 THR H H 51 7.980 7.980 8.254 -0.274 25489 717 1 2 . 1 1 52 52 GLY N N 52 112.725 112.725 115.124 -2.399 25489 718 1 2 . 1 1 52 52 GLY H H 52 9.483 9.483 9.664 -0.181 25489 719 1 2 . 1 1 53 53 MET N N 53 116.735 116.735 119.954 -3.219 25489 720 1 2 . 1 1 53 53 MET HA H 53 4.044 4.044 4.694 -0.650 25489 721 1 2 . 1 1 53 53 MET H H 53 7.969 7.969 8.076 -0.107 25489 722 1 2 . 1 1 54 54 LEU N N 54 122.602 122.602 126.814 -4.212 25489 723 1 2 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.619 -0.912 25489 724 1 2 . 1 1 54 54 LEU H H 54 7.926 7.926 8.760 -0.834 25489 725 1 2 . 1 1 55 55 ASN N N 55 115.755 115.755 117.299 -1.544 25489 726 1 2 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.786 -0.046 25489 727 1 2 . 1 1 55 55 ASN H H 55 6.555 6.555 8.193 -1.638 25489 728 1 2 . 1 1 56 56 SER N N 56 121.450 121.450 115.249 6.201 25489 729 1 2 . 1 1 56 56 SER HA H 56 4.662 4.662 4.553 0.109 25489 730 1 2 . 1 1 56 56 SER H H 56 8.205 8.205 7.929 0.276 25489 731 1 2 . 1 1 57 57 ARG N N 57 123.219 123.219 122.088 1.131 25489 732 1 2 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.068 0.138 25489 733 1 2 . 1 1 57 57 ARG H H 57 7.883 7.883 8.704 -0.821 25489 734 1 2 . 1 1 58 58 VAL N N 58 118.843 118.843 117.747 1.096 25489 735 1 2 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.081 0.219 25489 736 1 2 . 1 1 58 58 VAL H H 58 7.594 7.594 7.864 -0.270 25489 737 1 2 . 1 1 59 59 ILE N N 59 119.212 119.212 117.092 2.120 25489 738 1 2 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.859 -0.390 25489 739 1 2 . 1 1 59 59 ILE H H 59 7.326 7.326 7.906 -0.580 25489 740 1 2 . 1 1 60 60 GLU N N 60 119.544 119.544 120.753 -1.209 25489 741 1 2 . 1 1 60 60 GLU H H 60 7.880 7.880 7.657 0.223 25489 742 1 2 . 1 1 61 61 ILE N N 61 118.812 118.812 114.189 4.623 25489 743 1 2 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.971 -0.529 25489 744 1 2 . 1 1 61 61 ILE H H 61 7.217 7.217 7.430 -0.213 25489 745 1 2 . 1 1 62 62 MET N N 62 120.202 120.202 115.823 4.379 25489 746 1 2 . 1 1 62 62 MET HA H 62 3.419 3.419 4.197 -0.778 25489 747 1 2 . 1 1 62 62 MET H H 62 7.820 7.820 7.157 0.663 25489 748 1 2 . 1 1 63 63 GLN N N 63 116.274 116.274 115.946 0.328 25489 749 1 2 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.375 -0.134 25489 750 1 2 . 1 1 63 63 GLN H H 63 7.442 7.442 7.382 0.060 25489 751 1 2 . 1 1 64 64 LYS N N 64 121.450 121.450 121.398 0.052 25489 752 1 2 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.576 -0.077 25489 753 1 2 . 1 1 64 64 LYS H H 64 7.474 7.474 7.332 0.142 25489 754 1 2 . 1 1 66 66 ARG N N 66 113.173 113.173 121.716 -8.543 25489 755 1 2 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.838 -0.399 25489 756 1 2 . 1 1 66 66 ARG H H 66 8.151 8.151 7.738 0.413 25489 757 1 2 . 1 1 67 67 CYS N N 67 121.794 121.794 119.302 2.492 25489 758 1 2 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.584 -0.164 25489 759 1 2 . 1 1 67 67 CYS H H 67 7.709 7.709 8.805 -1.096 25489 760 1 2 . 1 1 68 68 GLY N N 68 116.255 116.255 114.038 2.217 25489 761 1 2 . 1 1 68 68 GLY H H 68 9.707 9.707 9.106 0.601 25489 762 1 2 . 1 1 69 69 VAL N N 69 126.541 126.541 115.722 10.819 25489 763 1 2 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.604 -0.797 25489 764 1 2 . 1 1 69 69 VAL H H 69 9.118 9.118 7.264 1.854 25489 765 1 2 . 1 1 71 71 ASP N N 71 119.114 119.114 118.850 0.264 25489 766 1 2 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.403 0.080 25489 767 1 2 . 1 1 71 71 ASP H H 71 8.067 8.067 8.505 -0.438 25489 768 1 2 . 1 1 72 72 VAL N N 72 112.988 112.988 112.456 0.532 25489 769 1 2 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.907 0.374 25489 770 1 2 . 1 1 72 72 VAL H H 72 6.438 6.438 7.228 -0.790 25489 771 1 2 . 1 1 73 73 ALA N N 73 125.902 125.902 126.100 -0.198 25489 772 1 2 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.098 0.170 25489 773 1 2 . 1 1 73 73 ALA H H 73 8.171 8.171 5.801 2.370 25489 774 1 2 . 1 1 74 74 GLU N N 74 120.835 120.835 123.868 -3.033 25489 775 1 2 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.322 -0.239 25489 776 1 2 . 1 1 74 74 GLU H H 74 8.385 8.385 8.345 0.040 25489 777 1 2 . 1 1 75 75 TYR N N 75 121.820 121.820 120.969 0.851 25489 778 1 2 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.763 -0.369 25489 779 1 2 . 1 1 75 75 TYR H H 75 8.102 8.102 7.608 0.494 25489 780 1 2 . 1 1 76 76 SER N N 76 117.881 117.881 121.210 -3.329 25489 781 1 2 . 1 1 76 76 SER H H 76 7.718 7.718 8.897 -1.179 25489 782 1 2 . 1 1 77 77 LEU N N 77 123.835 123.835 119.214 4.621 25489 783 1 2 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.102 -0.010 25489 784 1 2 . 1 1 77 77 LEU H H 77 8.033 8.033 8.545 -0.512 25489 785 1 2 . 1 1 78 78 PHE N N 78 118.893 118.893 124.204 -5.311 25489 786 1 2 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.171 0.674 25489 787 1 2 . 1 1 78 78 PHE H H 78 7.822 7.822 7.361 0.461 25489 788 1 2 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.178 0.153 25489 789 1 2 . 1 1 80 80 ASN N N 80 118.184 118.184 120.272 -2.088 25489 790 1 2 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.851 -0.171 25489 791 1 2 . 1 1 80 80 ASN H H 80 8.106 8.106 8.172 -0.066 25489 792 1 2 . 1 1 81 81 SER HA H 81 4.636 4.636 4.849 -0.213 25489 793 1 2 . 1 1 83 83 LYS N N 83 114.696 114.696 112.589 2.107 25489 794 1 2 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.745 -0.522 25489 795 1 2 . 1 1 83 83 LYS H H 83 7.361 7.361 7.238 0.123 25489 796 1 2 . 1 1 84 84 TRP N N 84 122.459 122.459 123.187 -0.728 25489 797 1 2 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.516 -0.513 25489 798 1 2 . 1 1 84 84 TRP H H 84 8.020 8.020 8.769 -0.749 25489 799 1 2 . 1 1 85 85 THR N N 85 113.482 113.482 118.217 -4.735 25489 800 1 2 . 1 1 85 85 THR HA H 85 4.586 4.586 4.355 0.231 25489 801 1 2 . 1 1 85 85 THR H H 85 8.833 8.833 7.944 0.889 25489 802 1 2 . 1 1 86 86 SER N N 86 117.316 117.316 115.958 1.358 25489 803 1 2 . 1 1 86 86 SER HA H 86 4.665 4.665 4.283 0.382 25489 804 1 2 . 1 1 86 86 SER H H 86 7.724 7.724 7.026 0.698 25489 805 1 2 . 1 1 87 87 LYS N N 87 120.411 120.411 122.505 -2.094 25489 806 1 2 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.194 -0.055 25489 807 1 2 . 1 1 87 87 LYS H H 87 8.312 8.312 8.690 -0.378 25489 808 1 2 . 1 1 88 88 VAL N N 88 117.674 117.674 110.572 7.102 25489 809 1 2 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.503 0.148 25489 810 1 2 . 1 1 88 88 VAL H H 88 7.425 7.425 7.378 0.047 25489 811 1 2 . 1 1 89 89 VAL N N 89 131.493 131.493 124.731 6.762 25489 812 1 2 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.680 -0.539 25489 813 1 2 . 1 1 89 89 VAL H H 89 8.574 8.574 9.076 -0.502 25489 814 1 2 . 1 1 90 90 THR N N 90 118.245 118.245 117.902 0.343 25489 815 1 2 . 1 1 90 90 THR HA H 90 5.627 5.627 5.575 0.052 25489 816 1 2 . 1 1 90 90 THR H H 90 9.021 9.021 8.562 0.459 25489 817 1 2 . 1 1 91 91 TYR N N 91 118.267 118.267 119.484 -1.217 25489 818 1 2 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.653 0.021 25489 819 1 2 . 1 1 91 91 TYR H H 91 8.555 8.555 8.288 0.267 25489 820 1 2 . 1 1 92 92 ARG N N 92 120.260 120.260 120.960 -0.700 25489 821 1 2 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.790 -0.144 25489 822 1 2 . 1 1 92 92 ARG H H 92 8.513 8.513 9.233 -0.720 25489 823 1 2 . 1 1 93 93 ILE N N 93 128.361 128.361 123.741 4.620 25489 824 1 2 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.715 -0.096 25489 825 1 2 . 1 1 93 93 ILE H H 93 8.878 8.878 8.798 0.080 25489 826 1 2 . 1 1 94 94 VAL N N 94 126.374 126.374 122.622 3.752 25489 827 1 2 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.397 -0.397 25489 828 1 2 . 1 1 94 94 VAL H H 94 9.492 9.492 8.907 0.585 25489 829 1 2 . 1 1 95 95 SER N N 95 113.303 113.303 115.687 -2.384 25489 830 1 2 . 1 1 95 95 SER HA H 95 4.705 4.705 4.900 -0.195 25489 831 1 2 . 1 1 95 95 SER H H 95 7.431 7.431 7.629 -0.198 25489 832 1 2 . 1 1 96 96 TYR N N 96 117.054 117.054 120.085 -3.031 25489 833 1 2 . 1 1 96 96 TYR H H 96 8.255 8.255 8.528 -0.273 25489 834 1 2 . 1 1 98 98 ARG N N 98 128.445 128.445 126.077 2.368 25489 835 1 2 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.325 0.013 25489 836 1 2 . 1 1 98 98 ARG H H 98 8.964 8.964 8.718 0.246 25489 837 1 2 . 1 1 99 99 ASP N N 99 120.412 120.412 118.874 1.538 25489 838 1 2 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.575 -0.240 25489 839 1 2 . 1 1 99 99 ASP H H 99 8.695 8.695 7.655 1.040 25489 840 1 2 . 1 1 100 100 LEU N N 100 116.851 116.851 120.913 -4.062 25489 841 1 2 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.618 0.315 25489 842 1 2 . 1 1 100 100 LEU H H 100 6.902 6.902 7.300 -0.398 25489 843 1 2 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.091 0.076 25489 844 1 2 . 1 1 103 103 ILE N N 103 115.469 115.469 115.279 0.190 25489 845 1 2 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.876 0.297 25489 846 1 2 . 1 1 103 103 ILE H H 103 8.296 8.296 8.046 0.250 25489 847 1 2 . 1 1 104 104 THR N N 104 119.413 119.413 117.463 1.950 25489 848 1 2 . 1 1 104 104 THR HA H 104 4.019 4.019 4.093 -0.074 25489 849 1 2 . 1 1 104 104 THR H H 104 6.915 6.915 7.400 -0.485 25489 850 1 2 . 1 1 105 105 VAL N N 105 123.232 123.232 121.964 1.268 25489 851 1 2 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.291 0.123 25489 852 1 2 . 1 1 105 105 VAL H H 105 7.379 7.379 7.356 0.023 25489 853 1 2 . 1 1 106 106 ASP N N 106 120.160 120.160 119.126 1.034 25489 854 1 2 . 1 1 106 106 ASP H H 106 8.615 8.615 8.236 0.379 25489 855 1 2 . 1 1 107 107 ARG N N 107 121.041 121.041 119.274 1.767 25489 856 1 2 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.018 0.072 25489 857 1 2 . 1 1 107 107 ARG H H 107 8.372 8.372 7.671 0.701 25489 858 1 2 . 1 1 108 108 LEU N N 108 121.644 121.644 119.303 2.341 25489 859 1 2 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.063 0.190 25489 860 1 2 . 1 1 108 108 LEU H H 108 8.768 8.768 8.543 0.225 25489 861 1 2 . 1 1 109 109 VAL N N 109 120.347 120.347 120.199 0.148 25489 862 1 2 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.538 -0.167 25489 863 1 2 . 1 1 109 109 VAL H H 109 8.762 8.762 8.174 0.588 25489 864 1 2 . 1 1 110 110 SER N N 110 112.949 112.949 115.792 -2.843 25489 865 1 2 . 1 1 110 110 SER HA H 110 4.270 4.270 3.796 0.474 25489 866 1 2 . 1 1 110 110 SER H H 110 7.605 7.605 8.793 -1.188 25489 867 1 2 . 1 1 111 111 LYS N N 111 122.434 122.434 120.860 1.574 25489 868 1 2 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.982 0.060 25489 869 1 2 . 1 1 111 111 LYS H H 111 8.146 8.146 7.666 0.480 25489 870 1 2 . 1 1 112 112 ALA N N 112 124.099 124.099 122.043 2.056 25489 871 1 2 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.654 0.423 25489 872 1 2 . 1 1 112 112 ALA H H 112 8.270 8.270 7.522 0.748 25489 873 1 2 . 1 1 113 113 LEU N N 113 116.251 116.251 118.278 -2.027 25489 874 1 2 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.593 0.129 25489 875 1 2 . 1 1 113 113 LEU H H 113 8.019 8.019 8.134 -0.115 25489 876 1 2 . 1 1 114 114 ASN N N 114 116.659 116.659 115.552 1.107 25489 877 1 2 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.632 -0.103 25489 878 1 2 . 1 1 114 114 ASN H H 114 8.197 8.197 7.961 0.236 25489 879 1 2 . 1 1 115 115 MET N N 115 122.118 122.118 119.556 2.562 25489 880 1 2 . 1 1 115 115 MET HA H 115 4.013 4.013 4.199 -0.186 25489 881 1 2 . 1 1 115 115 MET H H 115 7.918 7.918 7.288 0.630 25489 882 1 2 . 1 1 116 116 TRP N N 116 117.117 117.117 117.537 -0.420 25489 883 1 2 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.448 0.062 25489 884 1 2 . 1 1 116 116 TRP H H 116 6.773 6.773 7.527 -0.754 25489 885 1 2 . 1 1 117 117 GLY N N 117 104.656 104.656 106.477 -1.821 25489 886 1 2 . 1 1 117 117 GLY H H 117 9.305 9.305 8.190 1.115 25489 887 1 2 . 1 1 118 118 LYS N N 118 118.567 118.567 120.583 -2.016 25489 888 1 2 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.129 0.048 25489 889 1 2 . 1 1 118 118 LYS H H 118 7.947 7.947 7.873 0.074 25489 890 1 2 . 1 1 119 119 GLU N N 119 113.899 113.899 116.535 -2.636 25489 891 1 2 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.331 0.477 25489 892 1 2 . 1 1 119 119 GLU H H 119 7.773 7.773 7.758 0.015 25489 893 1 2 . 1 1 120 120 ILE N N 120 111.215 111.215 120.683 -9.468 25489 894 1 2 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.573 0.748 25489 895 1 2 . 1 1 120 120 ILE H H 120 7.528 7.528 7.609 -0.081 25489 896 1 2 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.618 0.003 25489 897 1 2 . 1 1 122 122 LEU N N 122 121.481 121.481 122.820 -1.339 25489 898 1 2 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.460 -0.168 25489 899 1 2 . 1 1 122 122 LEU H H 122 6.815 6.815 8.414 -1.599 25489 900 1 2 . 1 1 123 123 HIS N N 123 120.769 120.769 121.800 -1.031 25489 901 1 2 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.695 -0.103 25489 902 1 2 . 1 1 123 123 HIS H H 123 7.709 7.709 8.427 -0.718 25489 903 1 2 . 1 1 124 124 PHE N N 124 120.530 120.530 124.650 -4.120 25489 904 1 2 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.202 0.610 25489 905 1 2 . 1 1 124 124 PHE H H 124 8.306 8.306 7.861 0.445 25489 906 1 2 . 1 1 125 125 ARG N N 125 123.891 123.891 125.829 -1.938 25489 907 1 2 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.576 0.077 25489 908 1 2 . 1 1 125 125 ARG H H 125 8.408 8.408 8.650 -0.242 25489 909 1 2 . 1 1 126 126 LYS N N 126 130.178 130.178 127.011 3.167 25489 910 1 2 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.864 -0.503 25489 911 1 2 . 1 1 126 126 LYS H H 126 8.468 8.468 8.643 -0.175 25489 912 1 2 . 1 1 127 127 VAL N N 127 125.180 125.180 126.211 -1.031 25489 913 1 2 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.277 0.231 25489 914 1 2 . 1 1 127 127 VAL H H 127 8.679 8.679 8.215 0.464 25489 915 1 2 . 1 1 128 128 VAL N N 128 117.584 117.584 116.462 1.122 25489 916 1 2 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.419 -0.133 25489 917 1 2 . 1 1 128 128 VAL H H 128 8.469 8.469 8.344 0.125 25489 918 1 2 . 1 1 129 129 TRP N N 129 119.805 119.805 120.707 -0.902 25489 919 1 2 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.697 -0.011 25489 920 1 2 . 1 1 129 129 TRP H H 129 7.447 7.447 7.696 -0.249 25489 921 1 2 . 1 1 130 130 GLY N N 130 109.844 109.844 111.748 -1.904 25489 922 1 2 . 1 1 130 130 GLY H H 130 8.072 8.072 7.448 0.624 25489 923 1 2 . 1 1 131 131 THR N N 131 116.125 116.125 113.302 2.823 25489 924 1 2 . 1 1 131 131 THR HA H 131 4.123 4.123 4.403 -0.280 25489 925 1 2 . 1 1 131 131 THR H H 131 8.196 8.196 8.134 0.062 25489 926 1 2 . 1 1 132 132 ALA N N 132 129.613 129.613 129.164 0.449 25489 927 1 2 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.565 -0.054 25489 928 1 2 . 1 1 132 132 ALA H H 132 7.919 7.919 8.154 -0.235 25489 929 1 2 . 1 1 133 133 ASP N N 133 123.004 123.004 123.172 -0.168 25489 930 1 2 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.619 -0.177 25489 931 1 2 . 1 1 133 133 ASP H H 133 8.248 8.248 8.449 -0.201 25489 932 1 2 . 1 1 134 134 ILE N N 134 125.478 125.478 122.356 3.122 25489 933 1 2 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.141 -0.048 25489 934 1 2 . 1 1 134 134 ILE H H 134 8.804 8.804 7.887 0.917 25489 935 1 2 . 1 1 135 135 MET N N 135 127.471 127.471 127.968 -0.497 25489 936 1 2 . 1 1 135 135 MET HA H 135 5.194 5.194 5.240 -0.046 25489 937 1 2 . 1 1 135 135 MET H H 135 7.437 7.437 8.245 -0.808 25489 938 1 2 . 1 1 136 136 ILE N N 136 125.040 125.040 124.735 0.305 25489 939 1 2 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.653 0.924 25489 940 1 2 . 1 1 136 136 ILE H H 136 9.085 9.085 8.725 0.360 25489 941 1 2 . 1 1 137 137 GLY N N 137 112.059 112.059 113.695 -1.636 25489 942 1 2 . 1 1 137 137 GLY H H 137 8.568 8.568 8.471 0.097 25489 943 1 2 . 1 1 138 138 PHE N N 138 119.447 119.447 121.108 -1.661 25489 944 1 2 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.523 -0.069 25489 945 1 2 . 1 1 138 138 PHE H H 138 7.861 7.861 8.651 -0.790 25489 946 1 2 . 1 1 139 139 ALA N N 139 123.657 123.657 125.013 -1.356 25489 947 1 2 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.613 0.122 25489 948 1 2 . 1 1 139 139 ALA H H 139 8.939 8.939 9.348 -0.409 25489 949 1 2 . 1 1 140 140 ARG N N 140 118.688 118.688 119.931 -1.243 25489 950 1 2 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.705 0.369 25489 951 1 2 . 1 1 140 140 ARG H H 140 8.563 8.563 8.502 0.061 25489 952 1 2 . 1 1 141 141 GLY N N 141 108.964 108.964 110.158 -1.194 25489 953 1 2 . 1 1 141 141 GLY H H 141 9.018 9.018 8.352 0.666 25489 954 1 2 . 1 1 143 143 HIS N N 143 120.218 120.218 113.298 6.920 25489 955 1 2 . 1 1 143 143 HIS H H 143 8.998 8.998 7.350 1.648 25489 956 1 2 . 1 1 145 145 ASP N N 145 117.684 117.684 118.969 -1.285 25489 957 1 2 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.440 0.260 25489 958 1 2 . 1 1 145 145 ASP H H 145 7.088 7.088 8.493 -1.405 25489 959 1 2 . 1 1 146 146 SER HA H 146 4.140 4.140 4.528 -0.388 25489 960 1 2 . 1 1 146 146 SER H H 146 8.220 8.220 7.410 0.810 25489 961 1 2 . 1 1 147 147 TYR N N 147 120.867 120.867 123.468 -2.601 25489 962 1 2 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.272 0.516 25489 963 1 2 . 1 1 147 147 TYR H H 147 7.459 7.459 8.957 -1.498 25489 964 1 2 . 1 1 149 149 PHE N N 149 120.630 120.630 120.407 0.223 25489 965 1 2 . 1 1 149 149 PHE H H 149 8.018 8.018 8.533 -0.515 25489 966 1 2 . 1 1 150 150 ASP N N 150 115.626 115.626 113.502 2.124 25489 967 1 2 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.670 0.173 25489 968 1 2 . 1 1 150 150 ASP H H 150 7.543 7.543 7.720 -0.177 25489 969 1 2 . 1 1 151 151 GLY N N 151 110.700 110.700 107.063 3.637 25489 970 1 2 . 1 1 151 151 GLY H H 151 9.074 9.074 7.961 1.113 25489 971 1 2 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.547 -0.521 25489 972 1 2 . 1 1 153 153 GLY N N 153 118.786 118.786 116.250 2.536 25489 973 1 2 . 1 1 153 153 GLY H H 153 11.385 11.385 8.063 3.322 25489 974 1 2 . 1 1 154 154 ASN N N 154 120.613 120.613 124.200 -3.587 25489 975 1 2 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.301 -0.103 25489 976 1 2 . 1 1 154 154 ASN H H 154 9.225 9.225 8.554 0.671 25489 977 1 2 . 1 1 155 155 THR N N 155 118.700 118.700 115.990 2.710 25489 978 1 2 . 1 1 155 155 THR HA H 155 5.542 5.542 4.076 1.466 25489 979 1 2 . 1 1 155 155 THR H H 155 9.519 9.519 8.718 0.801 25489 980 1 2 . 1 1 156 156 LEU N N 156 122.765 122.765 125.332 -2.567 25489 981 1 2 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.560 0.382 25489 982 1 2 . 1 1 156 156 LEU H H 156 8.500 8.500 9.072 -0.572 25489 983 1 2 . 1 1 157 157 ALA N N 157 115.545 115.545 115.339 0.206 25489 984 1 2 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.817 0.190 25489 985 1 2 . 1 1 157 157 ALA H H 157 7.545 7.545 7.480 0.065 25489 986 1 2 . 1 1 158 158 HIS N N 158 111.868 111.868 115.074 -3.206 25489 987 1 2 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.079 -0.462 25489 988 1 2 . 1 1 158 158 HIS H H 158 8.774 8.774 8.772 0.002 25489 989 1 2 . 1 1 159 159 ALA N N 159 118.565 118.565 120.691 -2.126 25489 990 1 2 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.746 -0.089 25489 991 1 2 . 1 1 159 159 ALA H H 159 6.114 6.114 8.262 -2.148 25489 992 1 2 . 1 1 160 160 PHE N N 160 118.042 118.042 119.733 -1.691 25489 993 1 2 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.700 -0.219 25489 994 1 2 . 1 1 160 160 PHE H H 160 7.897 7.897 8.315 -0.418 25489 995 1 2 . 1 1 161 161 ALA N N 161 123.548 123.548 125.672 -2.124 25489 996 1 2 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.387 0.096 25489 997 1 2 . 1 1 161 161 ALA H H 161 8.089 8.089 8.553 -0.464 25489 998 1 2 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.567 -1.696 25489 999 1 2 . 1 1 163 163 GLY N N 163 107.255 107.255 110.404 -3.149 25489 1000 1 2 . 1 1 163 163 GLY H H 163 5.992 5.992 7.720 -1.728 25489 1001 1 2 . 1 1 165 165 GLY H H 165 9.149 9.149 8.824 0.325 25489 1002 1 2 . 1 1 166 166 LEU HA H 166 4.153 4.153 3.961 0.192 25489 1003 1 2 . 1 1 167 167 GLY N N 167 103.338 103.338 103.181 0.157 25489 1004 1 2 . 1 1 167 167 GLY H H 167 7.774 7.774 7.335 0.439 25489 1005 1 2 . 1 1 168 168 GLY N N 168 121.031 121.031 107.697 13.334 25489 1006 1 2 . 1 1 168 168 GLY H H 168 7.685 7.685 7.800 -0.115 25489 1007 1 2 . 1 1 169 169 ASP N N 169 123.703 123.703 122.247 1.456 25489 1008 1 2 . 1 1 169 169 ASP H H 169 8.578 8.578 7.821 0.757 25489 1009 1 2 . 1 1 170 170 ALA N N 170 119.569 119.569 125.622 -6.053 25489 1010 1 2 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.885 -0.181 25489 1011 1 2 . 1 1 170 170 ALA H H 170 8.371 8.371 7.995 0.376 25489 1012 1 2 . 1 1 171 171 HIS N N 171 120.286 120.286 120.365 -0.079 25489 1013 1 2 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.887 0.843 25489 1014 1 2 . 1 1 171 171 HIS H H 171 8.513 8.513 8.077 0.436 25489 1015 1 2 . 1 1 172 172 PHE N N 172 120.919 120.919 122.948 -2.029 25489 1016 1 2 . 1 1 172 172 PHE H H 172 8.457 8.457 8.994 -0.537 25489 1017 1 2 . 1 1 173 173 ASP N N 173 123.993 123.993 120.663 3.330 25489 1018 1 2 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.182 -1.286 25489 1019 1 2 . 1 1 173 173 ASP H H 173 7.915 7.915 8.986 -1.071 25489 1020 1 2 . 1 1 174 174 GLU N N 174 132.684 132.684 124.748 7.936 25489 1021 1 2 . 1 1 174 174 GLU H H 174 9.461 9.461 8.917 0.544 25489 1022 1 2 . 1 1 175 175 ASP N N 175 117.313 117.313 118.839 -1.526 25489 1023 1 2 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.482 0.315 25489 1024 1 2 . 1 1 175 175 ASP H H 175 8.756 8.756 7.860 0.896 25489 1025 1 2 . 1 1 176 176 GLU N N 176 116.511 116.511 118.974 -2.463 25489 1026 1 2 . 1 1 176 176 GLU H H 176 7.154 7.154 8.184 -1.030 25489 1027 1 2 . 1 1 177 177 ARG N N 177 121.920 121.920 122.684 -0.764 25489 1028 1 2 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.430 0.195 25489 1029 1 2 . 1 1 177 177 ARG H H 177 7.555 7.555 8.390 -0.835 25489 1030 1 2 . 1 1 178 178 TRP N N 178 129.182 129.182 126.732 2.450 25489 1031 1 2 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.393 -0.280 25489 1032 1 2 . 1 1 178 178 TRP H H 178 8.788 8.788 8.640 0.148 25489 1033 1 2 . 1 1 179 179 THR N N 179 112.874 112.874 116.118 -3.244 25489 1034 1 2 . 1 1 179 179 THR HA H 179 5.015 5.015 4.710 0.305 25489 1035 1 2 . 1 1 179 179 THR H H 179 8.946 8.946 8.681 0.265 25489 1036 1 2 . 1 1 180 180 ASP N N 180 121.969 121.969 122.735 -0.766 25489 1037 1 2 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.915 -0.493 25489 1038 1 2 . 1 1 180 180 ASP H H 180 8.478 8.478 8.699 -0.221 25489 1039 1 2 . 1 1 181 181 GLY N N 181 110.059 110.059 108.733 1.326 25489 1040 1 2 . 1 1 181 181 GLY H H 181 8.572 8.572 8.433 0.139 25489 1041 1 2 . 1 1 182 182 SER N N 182 115.564 115.564 117.138 -1.574 25489 1042 1 2 . 1 1 182 182 SER HA H 182 4.599 4.599 4.504 0.095 25489 1043 1 2 . 1 1 182 182 SER H H 182 8.173 8.173 7.989 0.184 25489 1044 1 2 . 1 1 183 183 SER N N 183 117.066 117.066 113.816 3.250 25489 1045 1 2 . 1 1 183 183 SER H H 183 7.819 7.819 8.346 -0.527 25489 1046 1 2 . 1 1 184 184 LEU N N 184 121.954 121.954 121.328 0.626 25489 1047 1 2 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.328 0.034 25489 1048 1 2 . 1 1 184 184 LEU H H 184 8.104 8.104 7.721 0.383 25489 1049 1 2 . 1 1 185 185 GLY N N 185 108.989 108.989 107.126 1.863 25489 1050 1 2 . 1 1 185 185 GLY H H 185 7.954 7.954 7.196 0.758 25489 1051 1 2 . 1 1 186 186 ILE N N 186 123.084 123.084 122.114 0.970 25489 1052 1 2 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.406 0.373 25489 1053 1 2 . 1 1 186 186 ILE H H 186 8.878 8.878 8.202 0.676 25489 1054 1 2 . 1 1 187 187 ASN N N 187 126.999 126.999 124.381 2.618 25489 1055 1 2 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.894 -0.498 25489 1056 1 2 . 1 1 187 187 ASN H H 187 8.575 8.575 8.181 0.394 25489 1057 1 2 . 1 1 188 188 PHE N N 188 129.819 129.819 128.782 1.037 25489 1058 1 2 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.540 0.051 25489 1059 1 2 . 1 1 188 188 PHE H H 188 9.365 9.365 9.328 0.037 25489 1060 1 2 . 1 1 189 189 LEU N N 189 119.292 119.292 119.034 0.258 25489 1061 1 2 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.690 0.143 25489 1062 1 2 . 1 1 189 189 LEU H H 189 8.551 8.551 8.591 -0.040 25489 1063 1 2 . 1 1 191 191 ALA N N 191 120.347 120.347 120.772 -0.425 25489 1064 1 2 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.492 -0.195 25489 1065 1 2 . 1 1 191 191 ALA H H 191 7.973 7.973 8.320 -0.347 25489 1066 1 2 . 1 1 192 192 ALA N N 192 121.365 121.365 121.029 0.336 25489 1067 1 2 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.954 0.063 25489 1068 1 2 . 1 1 192 192 ALA H H 192 9.258 9.258 8.030 1.228 25489 1069 1 2 . 1 1 193 193 THR N N 193 117.027 117.027 113.063 3.964 25489 1070 1 2 . 1 1 193 193 THR HA H 193 3.825 3.825 3.885 -0.060 25489 1071 1 2 . 1 1 193 193 THR H H 193 8.209 8.209 7.426 0.783 25489 1072 1 2 . 1 1 194 194 HIS N N 194 120.231 120.231 122.369 -2.138 25489 1073 1 2 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.417 -0.184 25489 1074 1 2 . 1 1 194 194 HIS H H 194 7.805 7.805 7.776 0.029 25489 1075 1 2 . 1 1 195 195 ALA N N 195 121.346 121.346 120.612 0.734 25489 1076 1 2 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.163 0.017 25489 1077 1 2 . 1 1 195 195 ALA H H 195 8.693 8.693 8.099 0.594 25489 1078 1 2 . 1 1 196 196 LEU N N 196 114.951 114.951 117.575 -2.624 25489 1079 1 2 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.219 -0.061 25489 1080 1 2 . 1 1 196 196 LEU H H 196 8.714 8.714 7.650 1.064 25489 1081 1 2 . 1 1 197 197 GLY N N 197 107.954 107.954 106.482 1.472 25489 1082 1 2 . 1 1 197 197 GLY H H 197 7.540 7.540 8.182 -0.642 25489 1083 1 2 . 1 1 198 198 HIS N N 198 121.996 121.996 119.818 2.178 25489 1084 1 2 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.225 0.584 25489 1085 1 2 . 1 1 198 198 HIS H H 198 7.205 7.205 7.323 -0.118 25489 1086 1 2 . 1 1 199 199 SER N N 199 118.570 118.570 114.136 4.434 25489 1087 1 2 . 1 1 199 199 SER HA H 199 4.448 4.448 4.433 0.015 25489 1088 1 2 . 1 1 199 199 SER H H 199 7.886 7.886 7.725 0.161 25489 1089 1 2 . 1 1 200 200 LEU N N 200 114.779 114.779 119.233 -4.454 25489 1090 1 2 . 1 1 200 200 LEU H H 200 7.106 7.106 7.386 -0.280 25489 1091 1 2 . 1 1 201 201 GLY N N 201 108.350 108.350 104.749 3.601 25489 1092 1 2 . 1 1 201 201 GLY H H 201 8.213 8.213 7.414 0.799 25489 1093 1 2 . 1 1 202 202 MET N N 202 119.623 119.623 120.741 -1.118 25489 1094 1 2 . 1 1 202 202 MET HA H 202 4.484 4.484 3.988 0.496 25489 1095 1 2 . 1 1 202 202 MET H H 202 8.189 8.189 7.562 0.627 25489 1096 1 2 . 1 1 203 203 GLY N N 203 109.770 109.770 108.307 1.463 25489 1097 1 2 . 1 1 203 203 GLY H H 203 8.413 8.413 8.078 0.335 25489 1098 1 2 . 1 1 204 204 HIS N N 204 115.793 115.793 115.550 0.243 25489 1099 1 2 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.877 0.497 25489 1100 1 2 . 1 1 204 204 HIS H H 204 8.383 8.383 8.103 0.280 25489 1101 1 2 . 1 1 205 205 SER N N 205 115.497 115.497 113.809 1.688 25489 1102 1 2 . 1 1 205 205 SER HA H 205 4.721 4.721 4.768 -0.047 25489 1103 1 2 . 1 1 205 205 SER H H 205 7.223 7.223 8.288 -1.065 25489 1104 1 2 . 1 1 206 206 SER N N 206 119.268 119.268 116.401 2.867 25489 1105 1 2 . 1 1 206 206 SER HA H 206 3.721 3.721 4.336 -0.615 25489 1106 1 2 . 1 1 206 206 SER H H 206 8.290 8.290 8.615 -0.325 25489 1107 1 2 . 1 1 207 207 ASP N N 207 126.656 126.656 121.906 4.750 25489 1108 1 2 . 1 1 207 207 ASP H H 207 8.541 8.541 8.152 0.389 25489 1109 1 2 . 1 1 209 209 ASN N N 209 115.911 115.911 115.668 0.243 25489 1110 1 2 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.827 -0.211 25489 1111 1 2 . 1 1 209 209 ASN H H 209 8.374 8.374 7.879 0.495 25489 1112 1 2 . 1 1 210 210 ALA N N 210 124.929 124.929 122.949 1.980 25489 1113 1 2 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.404 -0.250 25489 1114 1 2 . 1 1 210 210 ALA H H 210 8.182 8.182 7.322 0.860 25489 1115 1 2 . 1 1 211 211 VAL N N 211 130.383 130.383 125.234 5.149 25489 1116 1 2 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.518 0.732 25489 1117 1 2 . 1 1 211 211 VAL H H 211 11.554 11.554 9.104 2.450 25489 1118 1 2 . 1 1 212 212 MET N N 212 113.319 113.319 114.921 -1.602 25489 1119 1 2 . 1 1 212 212 MET H H 212 7.741 7.741 8.717 -0.976 25489 1120 1 2 . 1 1 213 213 TYR N N 213 130.006 130.006 124.018 5.988 25489 1121 1 2 . 1 1 213 213 TYR H H 213 7.899 7.899 7.507 0.392 25489 1122 1 2 . 1 1 215 215 THR N N 215 104.747 104.747 110.057 -5.310 25489 1123 1 2 . 1 1 215 215 THR HA H 215 4.404 4.404 4.494 -0.090 25489 1124 1 2 . 1 1 215 215 THR H H 215 6.402 6.402 7.281 -0.879 25489 1125 1 2 . 1 1 216 216 TYR N N 216 124.699 124.699 126.381 -1.682 25489 1126 1 2 . 1 1 216 216 TYR H H 216 8.341 8.341 8.641 -0.300 25489 1127 1 2 . 1 1 217 217 GLY N N 217 116.288 116.288 113.198 3.090 25489 1128 1 2 . 1 1 217 217 GLY H H 217 7.685 7.685 7.466 0.219 25489 1129 1 2 . 1 1 218 218 ASN N N 218 119.920 119.920 118.233 1.687 25489 1130 1 2 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.276 0.344 25489 1131 1 2 . 1 1 218 218 ASN H H 218 8.221 8.221 8.616 -0.395 25489 1132 1 2 . 1 1 219 219 GLY N N 219 109.601 109.601 107.114 2.487 25489 1133 1 2 . 1 1 219 219 GLY H H 219 8.072 8.072 7.640 0.432 25489 1134 1 2 . 1 1 220 220 ASP N N 220 123.006 123.006 123.234 -0.228 25489 1135 1 2 . 1 1 220 220 ASP H H 220 8.280 8.280 8.457 -0.177 25489 1136 1 2 . 1 1 222 222 GLN N N 222 116.642 116.642 124.521 -7.879 25489 1137 1 2 . 1 1 222 222 GLN H H 222 8.215 8.215 8.761 -0.546 25489 1138 1 2 . 1 1 223 223 ASN N N 223 118.361 118.361 114.256 4.105 25489 1139 1 2 . 1 1 223 223 ASN H H 223 7.970 7.970 8.095 -0.125 25489 1140 1 2 . 1 1 225 225 LYS N N 225 122.215 122.215 125.891 -3.676 25489 1141 1 2 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.683 -0.267 25489 1142 1 2 . 1 1 225 225 LYS H H 225 7.656 7.656 7.905 -0.249 25489 1143 1 2 . 1 1 226 226 LEU N N 226 119.165 119.165 123.027 -3.862 25489 1144 1 2 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.533 -0.445 25489 1145 1 2 . 1 1 226 226 LEU H H 226 7.984 7.984 8.451 -0.467 25489 1146 1 2 . 1 1 227 227 SER N N 227 120.520 120.520 116.454 4.066 25489 1147 1 2 . 1 1 227 227 SER HA H 227 4.676 4.676 4.608 0.068 25489 1148 1 2 . 1 1 227 227 SER H H 227 9.646 9.646 9.659 -0.013 25489 1149 1 2 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.127 0.547 25489 1150 1 2 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.631 -0.257 25489 1151 1 2 . 1 1 229 229 ASP H H 229 8.113 8.113 8.491 -0.378 25489 1152 1 2 . 1 1 230 230 ASP N N 230 119.878 119.878 119.994 -0.116 25489 1153 1 2 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.505 -0.167 25489 1154 1 2 . 1 1 230 230 ASP H H 230 7.397 7.397 7.882 -0.485 25489 1155 1 2 . 1 1 231 231 ILE N N 231 120.389 120.389 118.971 1.418 25489 1156 1 2 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.867 -0.212 25489 1157 1 2 . 1 1 231 231 ILE H H 231 8.100 8.100 7.436 0.664 25489 1158 1 2 . 1 1 232 232 LYS N N 232 119.084 119.084 118.402 0.682 25489 1159 1 2 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.045 0.050 25489 1160 1 2 . 1 1 232 232 LYS H H 232 8.581 8.581 7.451 1.130 25489 1161 1 2 . 1 1 233 233 GLY N N 233 106.424 106.424 106.635 -0.211 25489 1162 1 2 . 1 1 233 233 GLY H H 233 8.061 8.061 7.794 0.267 25489 1163 1 2 . 1 1 234 234 ILE N N 234 125.166 125.166 122.086 3.080 25489 1164 1 2 . 1 1 234 234 ILE H H 234 8.517 8.517 7.049 1.468 25489 1165 1 2 . 1 1 235 235 GLN N N 235 122.969 122.969 119.151 3.818 25489 1166 1 2 . 1 1 235 235 GLN HA H 235 4.381 4.381 2.843 1.538 25489 1167 1 2 . 1 1 235 235 GLN H H 235 8.291 8.291 8.151 0.140 25489 1168 1 2 . 1 1 236 236 LYS N N 236 123.770 123.770 118.028 5.742 25489 1169 1 2 . 1 1 236 236 LYS H H 236 8.035 8.035 7.643 0.392 25489 1170 1 2 . 1 1 237 237 LEU N N 237 116.854 116.854 119.880 -3.026 25489 1171 1 2 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.110 -0.151 25489 1172 1 2 . 1 1 237 237 LEU H H 237 6.886 6.886 7.271 -0.385 25489 1173 1 2 . 1 1 238 238 TYR N N 238 112.132 112.132 113.282 -1.150 25489 1174 1 2 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.707 -0.081 25489 1175 1 2 . 1 1 238 238 TYR H H 238 7.459 7.459 7.031 0.428 25489 1176 1 2 . 1 1 239 239 GLY N N 239 110.898 110.898 109.434 1.464 25489 1177 1 2 . 1 1 239 239 GLY H H 239 8.442 8.442 7.575 0.867 25489 1178 1 2 . 1 1 240 240 LYS N N 240 114.400 114.400 120.204 -5.804 25489 1179 1 2 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.446 0.358 25489 1180 1 2 . 1 1 240 240 LYS H H 240 7.865 7.865 8.304 -0.439 25489 1181 1 2 . 1 1 241 241 ARG N N 241 123.851 123.851 122.771 1.080 25489 1182 1 2 . 1 1 241 241 ARG H H 241 7.760 7.760 8.611 -0.851 25489 1183 1 2 . 1 1 242 242 SER N N 242 135.647 135.647 117.342 18.305 25489 1184 1 2 . 1 1 242 242 SER H H 242 9.158 9.158 8.410 0.748 25489 1185 1 3 . 1 1 3 3 GLU N N 3 121.690 121.690 124.555 -2.865 25489 1186 1 3 . 1 1 3 3 GLU H H 3 8.332 8.332 9.058 -0.726 25489 1187 1 3 . 1 1 4 4 ALA N N 4 124.526 124.526 119.383 5.143 25489 1188 1 3 . 1 1 4 4 ALA H H 4 8.111 8.111 8.346 -0.235 25489 1189 1 3 . 1 1 5 5 GLY N N 5 108.229 108.229 104.780 3.449 25489 1190 1 3 . 1 1 5 5 GLY H H 5 8.286 8.286 7.462 0.824 25489 1191 1 3 . 1 1 6 6 GLY N N 6 108.867 108.867 108.531 0.336 25489 1192 1 3 . 1 1 6 6 GLY H H 6 8.239 8.239 7.608 0.631 25489 1193 1 3 . 1 1 7 7 MET N N 7 119.984 119.984 120.267 -0.283 25489 1194 1 3 . 1 1 7 7 MET H H 7 8.044 8.044 7.473 0.571 25489 1195 1 3 . 1 1 8 8 SER N N 8 118.771 118.771 119.192 -0.421 25489 1196 1 3 . 1 1 8 8 SER HA H 8 4.239 4.239 4.479 -0.240 25489 1197 1 3 . 1 1 8 8 SER H H 8 8.738 8.738 8.488 0.250 25489 1198 1 3 . 1 1 9 9 GLU N N 9 122.551 122.551 128.212 -5.661 25489 1199 1 3 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.201 0.051 25489 1200 1 3 . 1 1 9 9 GLU H H 9 8.919 8.919 8.962 -0.043 25489 1201 1 3 . 1 1 10 10 LEU N N 10 120.638 120.638 120.844 -0.206 25489 1202 1 3 . 1 1 10 10 LEU H H 10 8.017 8.017 7.475 0.542 25489 1203 1 3 . 1 1 11 11 GLN N N 11 119.889 119.889 119.368 0.521 25489 1204 1 3 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.042 0.092 25489 1205 1 3 . 1 1 11 11 GLN H H 11 7.807 7.807 7.896 -0.089 25489 1206 1 3 . 1 1 12 12 TRP N N 12 120.951 120.951 121.557 -0.606 25489 1207 1 3 . 1 1 12 12 TRP H H 12 8.202 8.202 7.767 0.435 25489 1208 1 3 . 1 1 13 13 GLU N N 13 121.870 121.870 119.782 2.088 25489 1209 1 3 . 1 1 13 13 GLU H H 13 8.436 8.436 8.020 0.416 25489 1210 1 3 . 1 1 14 14 GLN N N 14 120.646 120.646 119.021 1.625 25489 1211 1 3 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.682 0.487 25489 1212 1 3 . 1 1 14 14 GLN H H 14 8.159 8.159 7.980 0.179 25489 1213 1 3 . 1 1 15 15 ALA N N 15 123.216 123.216 121.640 1.576 25489 1214 1 3 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.881 0.457 25489 1215 1 3 . 1 1 15 15 ALA H H 15 8.355 8.355 7.714 0.641 25489 1216 1 3 . 1 1 16 16 GLN N N 16 117.766 117.766 117.493 0.273 25489 1217 1 3 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.725 -0.020 25489 1218 1 3 . 1 1 16 16 GLN H H 16 8.440 8.440 8.350 0.090 25489 1219 1 3 . 1 1 17 17 ASP N N 17 120.090 120.090 118.971 1.119 25489 1220 1 3 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.419 0.044 25489 1221 1 3 . 1 1 17 17 ASP H H 17 7.899 7.899 7.392 0.507 25489 1222 1 3 . 1 1 18 18 TYR N N 18 122.296 122.296 119.314 2.982 25489 1223 1 3 . 1 1 18 18 TYR H H 18 8.264 8.264 8.087 0.177 25489 1224 1 3 . 1 1 19 19 LEU N N 19 117.675 117.675 120.587 -2.912 25489 1225 1 3 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.244 -0.119 25489 1226 1 3 . 1 1 19 19 LEU H H 19 8.687 8.687 8.067 0.620 25489 1227 1 3 . 1 1 20 20 LYS N N 20 124.620 124.620 118.582 6.038 25489 1228 1 3 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.155 -0.012 25489 1229 1 3 . 1 1 20 20 LYS H H 20 8.790 8.790 8.193 0.597 25489 1230 1 3 . 1 1 21 21 ARG N N 21 117.608 117.608 116.894 0.714 25489 1231 1 3 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.162 -0.465 25489 1232 1 3 . 1 1 21 21 ARG H H 21 7.835 7.835 7.525 0.310 25489 1233 1 3 . 1 1 22 22 PHE N N 22 112.136 112.136 117.819 -5.683 25489 1234 1 3 . 1 1 22 22 PHE H H 22 8.003 8.003 7.945 0.058 25489 1235 1 3 . 1 1 23 23 TYR N N 23 116.244 116.244 115.720 0.524 25489 1236 1 3 . 1 1 23 23 TYR H H 23 7.678 7.678 7.744 -0.066 25489 1237 1 3 . 1 1 24 24 LEU N N 24 115.582 115.582 116.118 -0.536 25489 1238 1 3 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.495 -0.360 25489 1239 1 3 . 1 1 24 24 LEU H H 24 7.238 7.238 7.961 -0.723 25489 1240 1 3 . 1 1 25 25 TYR N N 25 119.996 119.996 125.327 -5.331 25489 1241 1 3 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.523 -0.118 25489 1242 1 3 . 1 1 25 25 TYR H H 25 7.826 7.826 8.480 -0.654 25489 1243 1 3 . 1 1 26 26 ASP N N 26 129.292 129.292 125.489 3.803 25489 1244 1 3 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.642 -0.181 25489 1245 1 3 . 1 1 26 26 ASP H H 26 8.121 8.121 7.753 0.368 25489 1246 1 3 . 1 1 28 28 GLU N N 28 122.115 122.115 121.149 0.966 25489 1247 1 3 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.204 0.077 25489 1248 1 3 . 1 1 28 28 GLU H H 28 8.262 8.262 8.465 -0.203 25489 1249 1 3 . 1 1 29 29 THR N N 29 114.171 114.171 112.846 1.325 25489 1250 1 3 . 1 1 29 29 THR HA H 29 4.222 4.222 4.175 0.047 25489 1251 1 3 . 1 1 29 29 THR H H 29 7.496 7.496 7.718 -0.222 25489 1252 1 3 . 1 1 30 30 LYS N N 30 123.019 123.019 123.260 -0.241 25489 1253 1 3 . 1 1 30 30 LYS HA H 30 4.218 4.218 3.968 0.250 25489 1254 1 3 . 1 1 30 30 LYS H H 30 8.154 8.154 7.375 0.779 25489 1255 1 3 . 1 1 32 32 ALA N N 32 126.481 126.481 127.225 -0.744 25489 1256 1 3 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.087 0.163 25489 1257 1 3 . 1 1 32 32 ALA H H 32 8.424 8.424 8.816 -0.392 25489 1258 1 3 . 1 1 33 33 ASN N N 33 116.834 116.834 114.925 1.909 25489 1259 1 3 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.797 -0.099 25489 1260 1 3 . 1 1 33 33 ASN H H 33 8.312 8.312 9.020 -0.708 25489 1261 1 3 . 1 1 34 34 SER N N 34 116.960 116.960 117.624 -0.664 25489 1262 1 3 . 1 1 34 34 SER HA H 34 4.522 4.522 4.406 0.116 25489 1263 1 3 . 1 1 34 34 SER H H 34 8.112 8.112 7.716 0.396 25489 1264 1 3 . 1 1 35 35 LEU N N 35 125.335 125.335 124.061 1.274 25489 1265 1 3 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.007 -0.456 25489 1266 1 3 . 1 1 35 35 LEU H H 35 8.324 8.324 8.657 -0.333 25489 1267 1 3 . 1 1 36 36 GLU N N 36 119.302 119.302 118.991 0.311 25489 1268 1 3 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.121 -0.178 25489 1269 1 3 . 1 1 36 36 GLU H H 36 8.239 8.239 8.125 0.114 25489 1270 1 3 . 1 1 37 37 ALA N N 37 120.683 120.683 122.039 -1.356 25489 1271 1 3 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.027 0.020 25489 1272 1 3 . 1 1 37 37 ALA H H 37 7.898 7.898 7.844 0.054 25489 1273 1 3 . 1 1 38 38 LYS N N 38 119.470 119.470 118.695 0.775 25489 1274 1 3 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.020 0.313 25489 1275 1 3 . 1 1 38 38 LYS H H 38 8.217 8.217 7.517 0.700 25489 1276 1 3 . 1 1 39 39 LEU N N 39 122.664 122.664 119.230 3.434 25489 1277 1 3 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.141 -0.227 25489 1278 1 3 . 1 1 39 39 LEU H H 39 8.658 8.658 7.725 0.933 25489 1279 1 3 . 1 1 40 40 LYS N N 40 118.301 118.301 119.846 -1.545 25489 1280 1 3 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.014 0.659 25489 1281 1 3 . 1 1 40 40 LYS H H 40 8.221 8.221 8.543 -0.322 25489 1282 1 3 . 1 1 41 41 GLU N N 41 121.462 121.462 120.144 1.318 25489 1283 1 3 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.117 -0.049 25489 1284 1 3 . 1 1 41 41 GLU H H 41 7.736 7.736 8.423 -0.687 25489 1285 1 3 . 1 1 42 42 MET N N 42 123.761 123.761 117.941 5.820 25489 1286 1 3 . 1 1 42 42 MET HA H 42 4.046 4.046 4.182 -0.136 25489 1287 1 3 . 1 1 42 42 MET H H 42 7.672 7.672 7.708 -0.036 25489 1288 1 3 . 1 1 43 43 GLN N N 43 120.035 120.035 118.859 1.176 25489 1289 1 3 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.125 -0.329 25489 1290 1 3 . 1 1 43 43 GLN H H 43 8.904 8.904 7.762 1.142 25489 1291 1 3 . 1 1 44 44 LYS N N 44 119.131 119.131 121.298 -2.167 25489 1292 1 3 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.177 -0.125 25489 1293 1 3 . 1 1 44 44 LYS H H 44 8.511 8.511 8.247 0.264 25489 1294 1 3 . 1 1 45 45 PHE N N 45 123.544 123.544 116.772 6.772 25489 1295 1 3 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.357 -0.507 25489 1296 1 3 . 1 1 45 45 PHE H H 45 8.438 8.438 8.148 0.290 25489 1297 1 3 . 1 1 46 46 PHE N N 46 112.789 112.789 117.442 -4.653 25489 1298 1 3 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.938 -0.356 25489 1299 1 3 . 1 1 46 46 PHE H H 46 8.273 8.273 7.542 0.731 25489 1300 1 3 . 1 1 47 47 GLY N N 47 110.408 110.408 107.572 2.836 25489 1301 1 3 . 1 1 47 47 GLY H H 47 7.922 7.922 7.776 0.146 25489 1302 1 3 . 1 1 48 48 LEU N N 48 121.853 121.853 122.744 -0.891 25489 1303 1 3 . 1 1 48 48 LEU H H 48 8.747 8.747 8.057 0.690 25489 1304 1 3 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.309 -0.108 25489 1305 1 3 . 1 1 50 50 ILE N N 50 127.000 127.000 121.391 5.609 25489 1306 1 3 . 1 1 50 50 ILE H H 50 8.529 8.529 7.829 0.700 25489 1307 1 3 . 1 1 51 51 THR N N 51 116.519 116.519 119.960 -3.441 25489 1308 1 3 . 1 1 51 51 THR H H 51 7.980 7.980 8.400 -0.420 25489 1309 1 3 . 1 1 52 52 GLY N N 52 112.725 112.725 115.798 -3.073 25489 1310 1 3 . 1 1 52 52 GLY H H 52 9.483 9.483 9.405 0.078 25489 1311 1 3 . 1 1 53 53 MET N N 53 116.735 116.735 119.654 -2.919 25489 1312 1 3 . 1 1 53 53 MET HA H 53 4.044 4.044 4.812 -0.768 25489 1313 1 3 . 1 1 53 53 MET H H 53 7.969 7.969 8.009 -0.040 25489 1314 1 3 . 1 1 54 54 LEU N N 54 122.602 122.602 128.449 -5.847 25489 1315 1 3 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.716 -1.010 25489 1316 1 3 . 1 1 54 54 LEU H H 54 7.926 7.926 8.756 -0.830 25489 1317 1 3 . 1 1 55 55 ASN N N 55 115.755 115.755 118.430 -2.675 25489 1318 1 3 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.861 -0.121 25489 1319 1 3 . 1 1 55 55 ASN H H 55 6.555 6.555 8.833 -2.278 25489 1320 1 3 . 1 1 56 56 SER N N 56 121.450 121.450 114.064 7.386 25489 1321 1 3 . 1 1 56 56 SER HA H 56 4.662 4.662 4.897 -0.235 25489 1322 1 3 . 1 1 56 56 SER H H 56 8.205 8.205 7.988 0.217 25489 1323 1 3 . 1 1 57 57 ARG N N 57 123.219 123.219 122.600 0.619 25489 1324 1 3 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.868 0.338 25489 1325 1 3 . 1 1 57 57 ARG H H 57 7.883 7.883 8.721 -0.838 25489 1326 1 3 . 1 1 58 58 VAL N N 58 118.843 118.843 117.897 0.946 25489 1327 1 3 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.423 -0.123 25489 1328 1 3 . 1 1 58 58 VAL H H 58 7.594 7.594 7.875 -0.281 25489 1329 1 3 . 1 1 59 59 ILE N N 59 119.212 119.212 116.384 2.828 25489 1330 1 3 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.158 -0.689 25489 1331 1 3 . 1 1 59 59 ILE H H 59 7.326 7.326 7.922 -0.596 25489 1332 1 3 . 1 1 60 60 GLU N N 60 119.544 119.544 121.536 -1.992 25489 1333 1 3 . 1 1 60 60 GLU H H 60 7.880 7.880 7.398 0.482 25489 1334 1 3 . 1 1 61 61 ILE N N 61 118.812 118.812 116.453 2.359 25489 1335 1 3 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.833 -0.391 25489 1336 1 3 . 1 1 61 61 ILE H H 61 7.217 7.217 7.538 -0.321 25489 1337 1 3 . 1 1 62 62 MET N N 62 120.202 120.202 116.353 3.849 25489 1338 1 3 . 1 1 62 62 MET HA H 62 3.419 3.419 4.236 -0.817 25489 1339 1 3 . 1 1 62 62 MET H H 62 7.820 7.820 7.141 0.679 25489 1340 1 3 . 1 1 63 63 GLN N N 63 116.274 116.274 117.347 -1.073 25489 1341 1 3 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.223 0.018 25489 1342 1 3 . 1 1 63 63 GLN H H 63 7.442 7.442 7.726 -0.284 25489 1343 1 3 . 1 1 64 64 LYS N N 64 121.450 121.450 120.618 0.832 25489 1344 1 3 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.225 0.274 25489 1345 1 3 . 1 1 64 64 LYS H H 64 7.474 7.474 7.343 0.131 25489 1346 1 3 . 1 1 66 66 ARG N N 66 113.173 113.173 122.261 -9.088 25489 1347 1 3 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.754 -0.315 25489 1348 1 3 . 1 1 66 66 ARG H H 66 8.151 8.151 8.265 -0.114 25489 1349 1 3 . 1 1 67 67 CYS N N 67 121.794 121.794 123.130 -1.336 25489 1350 1 3 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.785 -0.365 25489 1351 1 3 . 1 1 67 67 CYS H H 67 7.709 7.709 9.376 -1.667 25489 1352 1 3 . 1 1 68 68 GLY N N 68 116.255 116.255 118.096 -1.841 25489 1353 1 3 . 1 1 68 68 GLY H H 68 9.707 9.707 8.716 0.991 25489 1354 1 3 . 1 1 69 69 VAL N N 69 126.541 126.541 115.132 11.409 25489 1355 1 3 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.731 -0.924 25489 1356 1 3 . 1 1 69 69 VAL H H 69 9.118 9.118 7.426 1.692 25489 1357 1 3 . 1 1 71 71 ASP N N 71 119.114 119.114 118.963 0.151 25489 1358 1 3 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.446 0.037 25489 1359 1 3 . 1 1 71 71 ASP H H 71 8.067 8.067 8.523 -0.456 25489 1360 1 3 . 1 1 72 72 VAL N N 72 112.988 112.988 116.991 -4.003 25489 1361 1 3 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.548 0.733 25489 1362 1 3 . 1 1 72 72 VAL H H 72 6.438 6.438 7.577 -1.139 25489 1363 1 3 . 1 1 73 73 ALA N N 73 125.902 125.902 128.770 -2.868 25489 1364 1 3 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.209 0.058 25489 1365 1 3 . 1 1 73 73 ALA H H 73 8.171 8.171 6.402 1.769 25489 1366 1 3 . 1 1 74 74 GLU N N 74 120.835 120.835 121.859 -1.024 25489 1367 1 3 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.420 -0.337 25489 1368 1 3 . 1 1 74 74 GLU H H 74 8.385 8.385 8.764 -0.379 25489 1369 1 3 . 1 1 75 75 TYR N N 75 121.820 121.820 120.078 1.742 25489 1370 1 3 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.746 -0.352 25489 1371 1 3 . 1 1 75 75 TYR H H 75 8.102 8.102 7.351 0.751 25489 1372 1 3 . 1 1 76 76 SER N N 76 117.881 117.881 117.963 -0.082 25489 1373 1 3 . 1 1 76 76 SER H H 76 7.718 7.718 8.788 -1.070 25489 1374 1 3 . 1 1 77 77 LEU N N 77 123.835 123.835 123.894 -0.059 25489 1375 1 3 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.141 -0.049 25489 1376 1 3 . 1 1 77 77 LEU H H 77 8.033 8.033 8.551 -0.518 25489 1377 1 3 . 1 1 78 78 PHE N N 78 118.893 118.893 123.794 -4.901 25489 1378 1 3 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.589 0.256 25489 1379 1 3 . 1 1 78 78 PHE H H 78 7.822 7.822 7.822 -0.000 25489 1380 1 3 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.339 -0.008 25489 1381 1 3 . 1 1 80 80 ASN N N 80 118.184 118.184 118.979 -0.795 25489 1382 1 3 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.904 -0.224 25489 1383 1 3 . 1 1 80 80 ASN H H 80 8.106 8.106 8.183 -0.077 25489 1384 1 3 . 1 1 81 81 SER HA H 81 4.636 4.636 4.914 -0.278 25489 1385 1 3 . 1 1 83 83 LYS N N 83 114.696 114.696 115.262 -0.566 25489 1386 1 3 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.698 -0.475 25489 1387 1 3 . 1 1 83 83 LYS H H 83 7.361 7.361 7.362 -0.001 25489 1388 1 3 . 1 1 84 84 TRP N N 84 122.459 122.459 122.874 -0.415 25489 1389 1 3 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.600 -0.597 25489 1390 1 3 . 1 1 84 84 TRP H H 84 8.020 8.020 8.695 -0.675 25489 1391 1 3 . 1 1 85 85 THR N N 85 113.482 113.482 120.486 -7.004 25489 1392 1 3 . 1 1 85 85 THR HA H 85 4.586 4.586 4.406 0.180 25489 1393 1 3 . 1 1 85 85 THR H H 85 8.833 8.833 7.697 1.136 25489 1394 1 3 . 1 1 86 86 SER N N 86 117.316 117.316 117.059 0.257 25489 1395 1 3 . 1 1 86 86 SER HA H 86 4.665 4.665 4.223 0.442 25489 1396 1 3 . 1 1 86 86 SER H H 86 7.724 7.724 7.189 0.535 25489 1397 1 3 . 1 1 87 87 LYS N N 87 120.411 120.411 123.563 -3.152 25489 1398 1 3 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.228 -0.089 25489 1399 1 3 . 1 1 87 87 LYS H H 87 8.312 8.312 8.630 -0.318 25489 1400 1 3 . 1 1 88 88 VAL N N 88 117.674 117.674 112.201 5.473 25489 1401 1 3 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.513 0.138 25489 1402 1 3 . 1 1 88 88 VAL H H 88 7.425 7.425 7.544 -0.119 25489 1403 1 3 . 1 1 89 89 VAL N N 89 131.493 131.493 127.367 4.126 25489 1404 1 3 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.364 -0.223 25489 1405 1 3 . 1 1 89 89 VAL H H 89 8.574 8.574 9.061 -0.487 25489 1406 1 3 . 1 1 90 90 THR N N 90 118.245 118.245 119.665 -1.420 25489 1407 1 3 . 1 1 90 90 THR HA H 90 5.627 5.627 5.433 0.194 25489 1408 1 3 . 1 1 90 90 THR H H 90 9.021 9.021 8.570 0.451 25489 1409 1 3 . 1 1 91 91 TYR N N 91 118.267 118.267 120.747 -2.480 25489 1410 1 3 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.556 0.118 25489 1411 1 3 . 1 1 91 91 TYR H H 91 8.555 8.555 8.661 -0.106 25489 1412 1 3 . 1 1 92 92 ARG N N 92 120.260 120.260 121.155 -0.895 25489 1413 1 3 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.823 -0.177 25489 1414 1 3 . 1 1 92 92 ARG H H 92 8.513 8.513 8.183 0.330 25489 1415 1 3 . 1 1 93 93 ILE N N 93 128.361 128.361 124.575 3.786 25489 1416 1 3 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.720 -0.101 25489 1417 1 3 . 1 1 93 93 ILE H H 93 8.878 8.878 8.826 0.052 25489 1418 1 3 . 1 1 94 94 VAL N N 94 126.374 126.374 122.321 4.053 25489 1419 1 3 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.448 -0.448 25489 1420 1 3 . 1 1 94 94 VAL H H 94 9.492 9.492 8.643 0.849 25489 1421 1 3 . 1 1 95 95 SER N N 95 113.303 113.303 115.061 -1.758 25489 1422 1 3 . 1 1 95 95 SER HA H 95 4.705 4.705 4.702 0.003 25489 1423 1 3 . 1 1 95 95 SER H H 95 7.431 7.431 7.657 -0.226 25489 1424 1 3 . 1 1 96 96 TYR N N 96 117.054 117.054 118.240 -1.186 25489 1425 1 3 . 1 1 96 96 TYR H H 96 8.255 8.255 7.914 0.341 25489 1426 1 3 . 1 1 98 98 ARG N N 98 128.445 128.445 124.854 3.591 25489 1427 1 3 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.369 -0.031 25489 1428 1 3 . 1 1 98 98 ARG H H 98 8.964 8.964 8.699 0.265 25489 1429 1 3 . 1 1 99 99 ASP N N 99 120.412 120.412 118.625 1.787 25489 1430 1 3 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.569 -0.234 25489 1431 1 3 . 1 1 99 99 ASP H H 99 8.695 8.695 7.761 0.934 25489 1432 1 3 . 1 1 100 100 LEU N N 100 116.851 116.851 120.059 -3.208 25489 1433 1 3 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.648 0.285 25489 1434 1 3 . 1 1 100 100 LEU H H 100 6.902 6.902 7.281 -0.379 25489 1435 1 3 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.040 0.127 25489 1436 1 3 . 1 1 103 103 ILE N N 103 115.469 115.469 115.548 -0.079 25489 1437 1 3 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.900 0.273 25489 1438 1 3 . 1 1 103 103 ILE H H 103 8.296 8.296 8.082 0.214 25489 1439 1 3 . 1 1 104 104 THR N N 104 119.413 119.413 112.872 6.541 25489 1440 1 3 . 1 1 104 104 THR HA H 104 4.019 4.019 4.046 -0.027 25489 1441 1 3 . 1 1 104 104 THR H H 104 6.915 6.915 7.760 -0.845 25489 1442 1 3 . 1 1 105 105 VAL N N 105 123.232 123.232 122.733 0.499 25489 1443 1 3 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.455 -0.041 25489 1444 1 3 . 1 1 105 105 VAL H H 105 7.379 7.379 7.501 -0.122 25489 1445 1 3 . 1 1 106 106 ASP N N 106 120.160 120.160 119.799 0.361 25489 1446 1 3 . 1 1 106 106 ASP H H 106 8.615 8.615 8.012 0.603 25489 1447 1 3 . 1 1 107 107 ARG N N 107 121.041 121.041 118.340 2.701 25489 1448 1 3 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.034 0.056 25489 1449 1 3 . 1 1 107 107 ARG H H 107 8.372 8.372 7.580 0.792 25489 1450 1 3 . 1 1 108 108 LEU N N 108 121.644 121.644 119.506 2.138 25489 1451 1 3 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.148 0.105 25489 1452 1 3 . 1 1 108 108 LEU H H 108 8.768 8.768 7.715 1.053 25489 1453 1 3 . 1 1 109 109 VAL N N 109 120.347 120.347 121.223 -0.876 25489 1454 1 3 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.309 0.062 25489 1455 1 3 . 1 1 109 109 VAL H H 109 8.762 8.762 8.736 0.026 25489 1456 1 3 . 1 1 110 110 SER N N 110 112.949 112.949 115.027 -2.078 25489 1457 1 3 . 1 1 110 110 SER HA H 110 4.270 4.270 3.734 0.536 25489 1458 1 3 . 1 1 110 110 SER H H 110 7.605 7.605 8.255 -0.650 25489 1459 1 3 . 1 1 111 111 LYS N N 111 122.434 122.434 121.194 1.240 25489 1460 1 3 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.946 0.096 25489 1461 1 3 . 1 1 111 111 LYS H H 111 8.146 8.146 8.281 -0.135 25489 1462 1 3 . 1 1 112 112 ALA N N 112 124.099 124.099 121.530 2.569 25489 1463 1 3 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.649 0.428 25489 1464 1 3 . 1 1 112 112 ALA H H 112 8.270 8.270 7.476 0.794 25489 1465 1 3 . 1 1 113 113 LEU N N 113 116.251 116.251 117.621 -1.370 25489 1466 1 3 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.548 0.174 25489 1467 1 3 . 1 1 113 113 LEU H H 113 8.019 8.019 7.526 0.493 25489 1468 1 3 . 1 1 114 114 ASN N N 114 116.659 116.659 117.144 -0.485 25489 1469 1 3 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.565 -0.036 25489 1470 1 3 . 1 1 114 114 ASN H H 114 8.197 8.197 7.936 0.261 25489 1471 1 3 . 1 1 115 115 MET N N 115 122.118 122.118 120.122 1.996 25489 1472 1 3 . 1 1 115 115 MET HA H 115 4.013 4.013 4.276 -0.263 25489 1473 1 3 . 1 1 115 115 MET H H 115 7.918 7.918 7.801 0.117 25489 1474 1 3 . 1 1 116 116 TRP N N 116 117.117 117.117 117.967 -0.850 25489 1475 1 3 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.384 0.126 25489 1476 1 3 . 1 1 116 116 TRP H H 116 6.773 6.773 8.322 -1.549 25489 1477 1 3 . 1 1 117 117 GLY N N 117 104.656 104.656 105.121 -0.465 25489 1478 1 3 . 1 1 117 117 GLY H H 117 9.305 9.305 7.746 1.559 25489 1479 1 3 . 1 1 118 118 LYS N N 118 118.567 118.567 120.547 -1.980 25489 1480 1 3 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.337 -0.160 25489 1481 1 3 . 1 1 118 118 LYS H H 118 7.947 7.947 7.629 0.318 25489 1482 1 3 . 1 1 119 119 GLU N N 119 113.899 113.899 117.118 -3.219 25489 1483 1 3 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.322 0.486 25489 1484 1 3 . 1 1 119 119 GLU H H 119 7.773 7.773 8.345 -0.572 25489 1485 1 3 . 1 1 120 120 ILE N N 120 111.215 111.215 118.293 -7.078 25489 1486 1 3 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.616 0.705 25489 1487 1 3 . 1 1 120 120 ILE H H 120 7.528 7.528 7.504 0.024 25489 1488 1 3 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.504 0.117 25489 1489 1 3 . 1 1 122 122 LEU N N 122 121.481 121.481 118.553 2.928 25489 1490 1 3 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.567 -0.275 25489 1491 1 3 . 1 1 122 122 LEU H H 122 6.815 6.815 7.789 -0.974 25489 1492 1 3 . 1 1 123 123 HIS N N 123 120.769 120.769 121.335 -0.566 25489 1493 1 3 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.936 -0.344 25489 1494 1 3 . 1 1 123 123 HIS H H 123 7.709 7.709 8.312 -0.603 25489 1495 1 3 . 1 1 124 124 PHE N N 124 120.530 120.530 120.283 0.247 25489 1496 1 3 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.068 0.744 25489 1497 1 3 . 1 1 124 124 PHE H H 124 8.306 8.306 7.505 0.801 25489 1498 1 3 . 1 1 125 125 ARG N N 125 123.891 123.891 122.991 0.900 25489 1499 1 3 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.648 0.005 25489 1500 1 3 . 1 1 125 125 ARG H H 125 8.408 8.408 8.855 -0.447 25489 1501 1 3 . 1 1 126 126 LYS N N 126 130.178 130.178 127.304 2.874 25489 1502 1 3 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.803 -0.442 25489 1503 1 3 . 1 1 126 126 LYS H H 126 8.468 8.468 8.636 -0.168 25489 1504 1 3 . 1 1 127 127 VAL N N 127 125.180 125.180 127.402 -2.222 25489 1505 1 3 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.351 0.157 25489 1506 1 3 . 1 1 127 127 VAL H H 127 8.679 8.679 8.176 0.503 25489 1507 1 3 . 1 1 128 128 VAL N N 128 117.584 117.584 120.550 -2.966 25489 1508 1 3 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.440 -0.154 25489 1509 1 3 . 1 1 128 128 VAL H H 128 8.469 8.469 8.379 0.090 25489 1510 1 3 . 1 1 129 129 TRP N N 129 119.805 119.805 121.890 -2.085 25489 1511 1 3 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.705 -0.019 25489 1512 1 3 . 1 1 129 129 TRP H H 129 7.447 7.447 7.738 -0.291 25489 1513 1 3 . 1 1 130 130 GLY N N 130 109.844 109.844 112.270 -2.426 25489 1514 1 3 . 1 1 130 130 GLY H H 130 8.072 8.072 7.575 0.497 25489 1515 1 3 . 1 1 131 131 THR N N 131 116.125 116.125 111.839 4.286 25489 1516 1 3 . 1 1 131 131 THR HA H 131 4.123 4.123 4.347 -0.224 25489 1517 1 3 . 1 1 131 131 THR H H 131 8.196 8.196 7.943 0.253 25489 1518 1 3 . 1 1 132 132 ALA N N 132 129.613 129.613 130.954 -1.341 25489 1519 1 3 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.416 0.095 25489 1520 1 3 . 1 1 132 132 ALA H H 132 7.919 7.919 8.149 -0.230 25489 1521 1 3 . 1 1 133 133 ASP N N 133 123.004 123.004 123.227 -0.223 25489 1522 1 3 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.580 -0.138 25489 1523 1 3 . 1 1 133 133 ASP H H 133 8.248 8.248 8.652 -0.404 25489 1524 1 3 . 1 1 134 134 ILE N N 134 125.478 125.478 122.477 3.001 25489 1525 1 3 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.062 0.031 25489 1526 1 3 . 1 1 134 134 ILE H H 134 8.804 8.804 8.317 0.487 25489 1527 1 3 . 1 1 135 135 MET N N 135 127.471 127.471 127.794 -0.323 25489 1528 1 3 . 1 1 135 135 MET HA H 135 5.194 5.194 5.228 -0.034 25489 1529 1 3 . 1 1 135 135 MET H H 135 7.437 7.437 8.879 -1.442 25489 1530 1 3 . 1 1 136 136 ILE N N 136 125.040 125.040 125.255 -0.215 25489 1531 1 3 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.454 1.123 25489 1532 1 3 . 1 1 136 136 ILE H H 136 9.085 9.085 8.314 0.771 25489 1533 1 3 . 1 1 137 137 GLY N N 137 112.059 112.059 114.632 -2.573 25489 1534 1 3 . 1 1 137 137 GLY H H 137 8.568 8.568 8.445 0.123 25489 1535 1 3 . 1 1 138 138 PHE N N 138 119.447 119.447 121.150 -1.703 25489 1536 1 3 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.291 0.163 25489 1537 1 3 . 1 1 138 138 PHE H H 138 7.861 7.861 7.910 -0.049 25489 1538 1 3 . 1 1 139 139 ALA N N 139 123.657 123.657 126.865 -3.208 25489 1539 1 3 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.778 -0.043 25489 1540 1 3 . 1 1 139 139 ALA H H 139 8.939 8.939 9.029 -0.090 25489 1541 1 3 . 1 1 140 140 ARG N N 140 118.688 118.688 119.902 -1.214 25489 1542 1 3 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.756 0.318 25489 1543 1 3 . 1 1 140 140 ARG H H 140 8.563 8.563 8.625 -0.062 25489 1544 1 3 . 1 1 141 141 GLY N N 141 108.964 108.964 107.137 1.827 25489 1545 1 3 . 1 1 141 141 GLY H H 141 9.018 9.018 8.689 0.329 25489 1546 1 3 . 1 1 143 143 HIS N N 143 120.218 120.218 113.163 7.055 25489 1547 1 3 . 1 1 143 143 HIS H H 143 8.998 8.998 7.800 1.198 25489 1548 1 3 . 1 1 145 145 ASP N N 145 117.684 117.684 119.304 -1.620 25489 1549 1 3 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.447 0.253 25489 1550 1 3 . 1 1 145 145 ASP H H 145 7.088 7.088 8.668 -1.580 25489 1551 1 3 . 1 1 146 146 SER HA H 146 4.140 4.140 4.414 -0.274 25489 1552 1 3 . 1 1 146 146 SER H H 146 8.220 8.220 7.260 0.960 25489 1553 1 3 . 1 1 147 147 TYR N N 147 120.867 120.867 125.574 -4.707 25489 1554 1 3 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.273 0.515 25489 1555 1 3 . 1 1 147 147 TYR H H 147 7.459 7.459 8.754 -1.295 25489 1556 1 3 . 1 1 149 149 PHE N N 149 120.630 120.630 122.954 -2.324 25489 1557 1 3 . 1 1 149 149 PHE H H 149 8.018 8.018 8.659 -0.641 25489 1558 1 3 . 1 1 150 150 ASP N N 150 115.626 115.626 114.758 0.868 25489 1559 1 3 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.330 0.513 25489 1560 1 3 . 1 1 150 150 ASP H H 150 7.543 7.543 7.901 -0.358 25489 1561 1 3 . 1 1 151 151 GLY N N 151 110.700 110.700 105.936 4.764 25489 1562 1 3 . 1 1 151 151 GLY H H 151 9.074 9.074 8.691 0.383 25489 1563 1 3 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.245 -0.219 25489 1564 1 3 . 1 1 153 153 GLY N N 153 118.786 118.786 116.054 2.732 25489 1565 1 3 . 1 1 153 153 GLY H H 153 11.385 11.385 8.026 3.359 25489 1566 1 3 . 1 1 154 154 ASN N N 154 120.613 120.613 124.739 -4.126 25489 1567 1 3 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.471 -0.273 25489 1568 1 3 . 1 1 154 154 ASN H H 154 9.225 9.225 8.394 0.831 25489 1569 1 3 . 1 1 155 155 THR N N 155 118.700 118.700 116.322 2.378 25489 1570 1 3 . 1 1 155 155 THR HA H 155 5.542 5.542 4.207 1.335 25489 1571 1 3 . 1 1 155 155 THR H H 155 9.519 9.519 8.551 0.968 25489 1572 1 3 . 1 1 156 156 LEU N N 156 122.765 122.765 124.019 -1.254 25489 1573 1 3 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.555 0.387 25489 1574 1 3 . 1 1 156 156 LEU H H 156 8.500 8.500 8.720 -0.220 25489 1575 1 3 . 1 1 157 157 ALA N N 157 115.545 115.545 116.997 -1.452 25489 1576 1 3 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.891 0.116 25489 1577 1 3 . 1 1 157 157 ALA H H 157 7.545 7.545 7.357 0.188 25489 1578 1 3 . 1 1 158 158 HIS N N 158 111.868 111.868 115.648 -3.780 25489 1579 1 3 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.032 -0.415 25489 1580 1 3 . 1 1 158 158 HIS H H 158 8.774 8.774 8.629 0.145 25489 1581 1 3 . 1 1 159 159 ALA N N 159 118.565 118.565 121.296 -2.731 25489 1582 1 3 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.510 0.147 25489 1583 1 3 . 1 1 159 159 ALA H H 159 6.114 6.114 8.159 -2.045 25489 1584 1 3 . 1 1 160 160 PHE N N 160 118.042 118.042 119.629 -1.587 25489 1585 1 3 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.605 -0.124 25489 1586 1 3 . 1 1 160 160 PHE H H 160 7.897 7.897 7.716 0.181 25489 1587 1 3 . 1 1 161 161 ALA N N 161 123.548 123.548 123.473 0.075 25489 1588 1 3 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.253 0.230 25489 1589 1 3 . 1 1 161 161 ALA H H 161 8.089 8.089 8.512 -0.423 25489 1590 1 3 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.450 -1.579 25489 1591 1 3 . 1 1 163 163 GLY N N 163 107.255 107.255 109.889 -2.634 25489 1592 1 3 . 1 1 163 163 GLY H H 163 5.992 5.992 8.183 -2.191 25489 1593 1 3 . 1 1 165 165 GLY H H 165 9.149 9.149 7.619 1.530 25489 1594 1 3 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.135 0.018 25489 1595 1 3 . 1 1 167 167 GLY N N 167 103.338 103.338 103.711 -0.373 25489 1596 1 3 . 1 1 167 167 GLY H H 167 7.774 7.774 7.355 0.419 25489 1597 1 3 . 1 1 168 168 GLY N N 168 121.031 121.031 107.591 13.440 25489 1598 1 3 . 1 1 168 168 GLY H H 168 7.685 7.685 8.368 -0.683 25489 1599 1 3 . 1 1 169 169 ASP N N 169 123.703 123.703 123.612 0.091 25489 1600 1 3 . 1 1 169 169 ASP H H 169 8.578 8.578 7.930 0.648 25489 1601 1 3 . 1 1 170 170 ALA N N 170 119.569 119.569 124.358 -4.789 25489 1602 1 3 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.661 0.043 25489 1603 1 3 . 1 1 170 170 ALA H H 170 8.371 8.371 7.821 0.550 25489 1604 1 3 . 1 1 171 171 HIS N N 171 120.286 120.286 118.944 1.342 25489 1605 1 3 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.805 0.925 25489 1606 1 3 . 1 1 171 171 HIS H H 171 8.513 8.513 8.422 0.091 25489 1607 1 3 . 1 1 172 172 PHE N N 172 120.919 120.919 123.956 -3.037 25489 1608 1 3 . 1 1 172 172 PHE H H 172 8.457 8.457 8.667 -0.210 25489 1609 1 3 . 1 1 173 173 ASP N N 173 123.993 123.993 120.353 3.640 25489 1610 1 3 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.290 -1.394 25489 1611 1 3 . 1 1 173 173 ASP H H 173 7.915 7.915 8.842 -0.927 25489 1612 1 3 . 1 1 174 174 GLU N N 174 132.684 132.684 127.122 5.562 25489 1613 1 3 . 1 1 174 174 GLU H H 174 9.461 9.461 8.606 0.855 25489 1614 1 3 . 1 1 175 175 ASP N N 175 117.313 117.313 117.007 0.306 25489 1615 1 3 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.448 0.349 25489 1616 1 3 . 1 1 175 175 ASP H H 175 8.756 8.756 8.133 0.623 25489 1617 1 3 . 1 1 176 176 GLU N N 176 116.511 116.511 119.893 -3.382 25489 1618 1 3 . 1 1 176 176 GLU H H 176 7.154 7.154 7.862 -0.708 25489 1619 1 3 . 1 1 177 177 ARG N N 177 121.920 121.920 123.192 -1.272 25489 1620 1 3 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.517 0.108 25489 1621 1 3 . 1 1 177 177 ARG H H 177 7.555 7.555 8.269 -0.714 25489 1622 1 3 . 1 1 178 178 TRP N N 178 129.182 129.182 126.694 2.488 25489 1623 1 3 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.662 -0.549 25489 1624 1 3 . 1 1 178 178 TRP H H 178 8.788 8.788 8.337 0.451 25489 1625 1 3 . 1 1 179 179 THR N N 179 112.874 112.874 114.115 -1.241 25489 1626 1 3 . 1 1 179 179 THR HA H 179 5.015 5.015 4.708 0.307 25489 1627 1 3 . 1 1 179 179 THR H H 179 8.946 8.946 8.640 0.306 25489 1628 1 3 . 1 1 180 180 ASP N N 180 121.969 121.969 123.656 -1.687 25489 1629 1 3 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.858 -0.436 25489 1630 1 3 . 1 1 180 180 ASP H H 180 8.478 8.478 8.716 -0.238 25489 1631 1 3 . 1 1 181 181 GLY N N 181 110.059 110.059 107.883 2.176 25489 1632 1 3 . 1 1 181 181 GLY H H 181 8.572 8.572 8.307 0.265 25489 1633 1 3 . 1 1 182 182 SER N N 182 115.564 115.564 117.241 -1.677 25489 1634 1 3 . 1 1 182 182 SER HA H 182 4.599 4.599 4.464 0.135 25489 1635 1 3 . 1 1 182 182 SER H H 182 8.173 8.173 8.003 0.170 25489 1636 1 3 . 1 1 183 183 SER N N 183 117.066 117.066 114.047 3.019 25489 1637 1 3 . 1 1 183 183 SER H H 183 7.819 7.819 8.466 -0.647 25489 1638 1 3 . 1 1 184 184 LEU N N 184 121.954 121.954 121.751 0.203 25489 1639 1 3 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.404 -0.042 25489 1640 1 3 . 1 1 184 184 LEU H H 184 8.104 8.104 7.253 0.851 25489 1641 1 3 . 1 1 185 185 GLY N N 185 108.989 108.989 105.770 3.219 25489 1642 1 3 . 1 1 185 185 GLY H H 185 7.954 7.954 7.345 0.609 25489 1643 1 3 . 1 1 186 186 ILE N N 186 123.084 123.084 120.617 2.467 25489 1644 1 3 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.060 -0.281 25489 1645 1 3 . 1 1 186 186 ILE H H 186 8.878 8.878 8.309 0.569 25489 1646 1 3 . 1 1 187 187 ASN N N 187 126.999 126.999 125.190 1.809 25489 1647 1 3 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.651 -0.255 25489 1648 1 3 . 1 1 187 187 ASN H H 187 8.575 8.575 7.758 0.817 25489 1649 1 3 . 1 1 188 188 PHE N N 188 129.819 129.819 128.543 1.276 25489 1650 1 3 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.249 0.342 25489 1651 1 3 . 1 1 188 188 PHE H H 188 9.365 9.365 8.880 0.485 25489 1652 1 3 . 1 1 189 189 LEU N N 189 119.292 119.292 120.297 -1.005 25489 1653 1 3 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.399 0.434 25489 1654 1 3 . 1 1 189 189 LEU H H 189 8.551 8.551 8.145 0.406 25489 1655 1 3 . 1 1 191 191 ALA N N 191 120.347 120.347 120.215 0.132 25489 1656 1 3 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.560 -0.263 25489 1657 1 3 . 1 1 191 191 ALA H H 191 7.973 7.973 7.724 0.249 25489 1658 1 3 . 1 1 192 192 ALA N N 192 121.365 121.365 122.098 -0.733 25489 1659 1 3 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.972 0.045 25489 1660 1 3 . 1 1 192 192 ALA H H 192 9.258 9.258 8.097 1.161 25489 1661 1 3 . 1 1 193 193 THR N N 193 117.027 117.027 111.483 5.544 25489 1662 1 3 . 1 1 193 193 THR HA H 193 3.825 3.825 3.498 0.327 25489 1663 1 3 . 1 1 193 193 THR H H 193 8.209 8.209 7.897 0.312 25489 1664 1 3 . 1 1 194 194 HIS N N 194 120.231 120.231 122.701 -2.470 25489 1665 1 3 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.248 -0.015 25489 1666 1 3 . 1 1 194 194 HIS H H 194 7.805 7.805 7.630 0.175 25489 1667 1 3 . 1 1 195 195 ALA N N 195 121.346 121.346 121.319 0.027 25489 1668 1 3 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.078 0.102 25489 1669 1 3 . 1 1 195 195 ALA H H 195 8.693 8.693 7.995 0.698 25489 1670 1 3 . 1 1 196 196 LEU N N 196 114.951 114.951 116.569 -1.618 25489 1671 1 3 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.456 -0.298 25489 1672 1 3 . 1 1 196 196 LEU H H 196 8.714 8.714 7.504 1.210 25489 1673 1 3 . 1 1 197 197 GLY N N 197 107.954 107.954 107.104 0.850 25489 1674 1 3 . 1 1 197 197 GLY H H 197 7.540 7.540 8.125 -0.585 25489 1675 1 3 . 1 1 198 198 HIS N N 198 121.996 121.996 119.273 2.723 25489 1676 1 3 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.422 0.387 25489 1677 1 3 . 1 1 198 198 HIS H H 198 7.205 7.205 7.442 -0.237 25489 1678 1 3 . 1 1 199 199 SER N N 199 118.570 118.570 116.428 2.142 25489 1679 1 3 . 1 1 199 199 SER HA H 199 4.448 4.448 4.271 0.177 25489 1680 1 3 . 1 1 199 199 SER H H 199 7.886 7.886 8.601 -0.715 25489 1681 1 3 . 1 1 200 200 LEU N N 200 114.779 114.779 119.673 -4.894 25489 1682 1 3 . 1 1 200 200 LEU H H 200 7.106 7.106 7.589 -0.483 25489 1683 1 3 . 1 1 201 201 GLY N N 201 108.350 108.350 106.144 2.206 25489 1684 1 3 . 1 1 201 201 GLY H H 201 8.213 8.213 7.750 0.463 25489 1685 1 3 . 1 1 202 202 MET N N 202 119.623 119.623 119.749 -0.126 25489 1686 1 3 . 1 1 202 202 MET HA H 202 4.484 4.484 4.247 0.237 25489 1687 1 3 . 1 1 202 202 MET H H 202 8.189 8.189 7.642 0.547 25489 1688 1 3 . 1 1 203 203 GLY N N 203 109.770 109.770 107.091 2.679 25489 1689 1 3 . 1 1 203 203 GLY H H 203 8.413 8.413 8.082 0.331 25489 1690 1 3 . 1 1 204 204 HIS N N 204 115.793 115.793 115.953 -0.160 25489 1691 1 3 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.862 0.512 25489 1692 1 3 . 1 1 204 204 HIS H H 204 8.383 8.383 8.285 0.098 25489 1693 1 3 . 1 1 205 205 SER N N 205 115.497 115.497 113.974 1.523 25489 1694 1 3 . 1 1 205 205 SER HA H 205 4.721 4.721 4.673 0.048 25489 1695 1 3 . 1 1 205 205 SER H H 205 7.223 7.223 8.151 -0.928 25489 1696 1 3 . 1 1 206 206 SER N N 206 119.268 119.268 119.135 0.133 25489 1697 1 3 . 1 1 206 206 SER HA H 206 3.721 3.721 4.549 -0.828 25489 1698 1 3 . 1 1 206 206 SER H H 206 8.290 8.290 8.929 -0.639 25489 1699 1 3 . 1 1 207 207 ASP N N 207 126.656 126.656 121.394 5.262 25489 1700 1 3 . 1 1 207 207 ASP H H 207 8.541 8.541 7.519 1.022 25489 1701 1 3 . 1 1 209 209 ASN N N 209 115.911 115.911 116.549 -0.638 25489 1702 1 3 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.524 0.092 25489 1703 1 3 . 1 1 209 209 ASN H H 209 8.374 8.374 8.217 0.157 25489 1704 1 3 . 1 1 210 210 ALA N N 210 124.929 124.929 119.994 4.935 25489 1705 1 3 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.441 -0.287 25489 1706 1 3 . 1 1 210 210 ALA H H 210 8.182 8.182 7.514 0.668 25489 1707 1 3 . 1 1 211 211 VAL N N 211 130.383 130.383 121.002 9.381 25489 1708 1 3 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.856 0.394 25489 1709 1 3 . 1 1 211 211 VAL H H 211 11.554 11.554 9.348 2.206 25489 1710 1 3 . 1 1 212 212 MET N N 212 113.319 113.319 117.347 -4.028 25489 1711 1 3 . 1 1 212 212 MET H H 212 7.741 7.741 8.322 -0.581 25489 1712 1 3 . 1 1 213 213 TYR N N 213 130.006 130.006 122.121 7.885 25489 1713 1 3 . 1 1 213 213 TYR H H 213 7.899 7.899 7.327 0.572 25489 1714 1 3 . 1 1 215 215 THR N N 215 104.747 104.747 109.500 -4.753 25489 1715 1 3 . 1 1 215 215 THR HA H 215 4.404 4.404 4.589 -0.185 25489 1716 1 3 . 1 1 215 215 THR H H 215 6.402 6.402 7.077 -0.675 25489 1717 1 3 . 1 1 216 216 TYR N N 216 124.699 124.699 124.728 -0.029 25489 1718 1 3 . 1 1 216 216 TYR H H 216 8.341 8.341 9.006 -0.665 25489 1719 1 3 . 1 1 217 217 GLY N N 217 116.288 116.288 113.724 2.564 25489 1720 1 3 . 1 1 217 217 GLY H H 217 7.685 7.685 7.823 -0.138 25489 1721 1 3 . 1 1 218 218 ASN N N 218 119.920 119.920 115.910 4.010 25489 1722 1 3 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.480 0.140 25489 1723 1 3 . 1 1 218 218 ASN H H 218 8.221 8.221 8.311 -0.090 25489 1724 1 3 . 1 1 219 219 GLY N N 219 109.601 109.601 107.997 1.604 25489 1725 1 3 . 1 1 219 219 GLY H H 219 8.072 8.072 7.923 0.149 25489 1726 1 3 . 1 1 220 220 ASP N N 220 123.006 123.006 121.744 1.262 25489 1727 1 3 . 1 1 220 220 ASP H H 220 8.280 8.280 8.382 -0.102 25489 1728 1 3 . 1 1 222 222 GLN N N 222 116.642 116.642 122.362 -5.720 25489 1729 1 3 . 1 1 222 222 GLN H H 222 8.215 8.215 8.612 -0.397 25489 1730 1 3 . 1 1 223 223 ASN N N 223 118.361 118.361 116.062 2.299 25489 1731 1 3 . 1 1 223 223 ASN H H 223 7.970 7.970 8.081 -0.111 25489 1732 1 3 . 1 1 225 225 LYS N N 225 122.215 122.215 126.171 -3.956 25489 1733 1 3 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.558 -0.142 25489 1734 1 3 . 1 1 225 225 LYS H H 225 7.656 7.656 7.649 0.007 25489 1735 1 3 . 1 1 226 226 LEU N N 226 119.165 119.165 121.980 -2.815 25489 1736 1 3 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.585 -0.497 25489 1737 1 3 . 1 1 226 226 LEU H H 226 7.984 7.984 8.548 -0.564 25489 1738 1 3 . 1 1 227 227 SER N N 227 120.520 120.520 120.042 0.478 25489 1739 1 3 . 1 1 227 227 SER HA H 227 4.676 4.676 4.701 -0.025 25489 1740 1 3 . 1 1 227 227 SER H H 227 9.646 9.646 9.505 0.141 25489 1741 1 3 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.105 0.569 25489 1742 1 3 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.518 -0.144 25489 1743 1 3 . 1 1 229 229 ASP H H 229 8.113 8.113 8.396 -0.283 25489 1744 1 3 . 1 1 230 230 ASP N N 230 119.878 119.878 118.353 1.525 25489 1745 1 3 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.490 -0.152 25489 1746 1 3 . 1 1 230 230 ASP H H 230 7.397 7.397 7.624 -0.227 25489 1747 1 3 . 1 1 231 231 ILE N N 231 120.389 120.389 120.270 0.119 25489 1748 1 3 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.714 -0.059 25489 1749 1 3 . 1 1 231 231 ILE H H 231 8.100 8.100 8.026 0.074 25489 1750 1 3 . 1 1 232 232 LYS N N 232 119.084 119.084 119.198 -0.114 25489 1751 1 3 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.295 -0.200 25489 1752 1 3 . 1 1 232 232 LYS H H 232 8.581 8.581 7.652 0.929 25489 1753 1 3 . 1 1 233 233 GLY N N 233 106.424 106.424 106.609 -0.185 25489 1754 1 3 . 1 1 233 233 GLY H H 233 8.061 8.061 7.471 0.590 25489 1755 1 3 . 1 1 234 234 ILE N N 234 125.166 125.166 121.258 3.908 25489 1756 1 3 . 1 1 234 234 ILE H H 234 8.517 8.517 7.487 1.030 25489 1757 1 3 . 1 1 235 235 GLN N N 235 122.969 122.969 120.470 2.499 25489 1758 1 3 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.052 0.329 25489 1759 1 3 . 1 1 235 235 GLN H H 235 8.291 8.291 7.856 0.435 25489 1760 1 3 . 1 1 236 236 LYS N N 236 123.770 123.770 120.238 3.532 25489 1761 1 3 . 1 1 236 236 LYS H H 236 8.035 8.035 7.881 0.154 25489 1762 1 3 . 1 1 237 237 LEU N N 237 116.854 116.854 118.075 -1.221 25489 1763 1 3 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.105 -0.146 25489 1764 1 3 . 1 1 237 237 LEU H H 237 6.886 6.886 7.330 -0.444 25489 1765 1 3 . 1 1 238 238 TYR N N 238 112.132 112.132 117.550 -5.418 25489 1766 1 3 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.659 -0.033 25489 1767 1 3 . 1 1 238 238 TYR H H 238 7.459 7.459 7.504 -0.045 25489 1768 1 3 . 1 1 239 239 GLY N N 239 110.898 110.898 107.948 2.950 25489 1769 1 3 . 1 1 239 239 GLY H H 239 8.442 8.442 7.491 0.951 25489 1770 1 3 . 1 1 240 240 LYS N N 240 114.400 114.400 120.361 -5.961 25489 1771 1 3 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.482 0.322 25489 1772 1 3 . 1 1 240 240 LYS H H 240 7.865 7.865 8.476 -0.611 25489 1773 1 3 . 1 1 241 241 ARG N N 241 123.851 123.851 124.239 -0.388 25489 1774 1 3 . 1 1 241 241 ARG H H 241 7.760 7.760 8.494 -0.734 25489 1775 1 3 . 1 1 242 242 SER N N 242 135.647 135.647 119.260 16.387 25489 1776 1 3 . 1 1 242 242 SER H H 242 9.158 9.158 8.570 0.588 25489 1777 1 4 . 1 1 3 3 GLU N N 3 121.690 121.690 127.790 -6.100 25489 1778 1 4 . 1 1 3 3 GLU H H 3 8.332 8.332 9.127 -0.795 25489 1779 1 4 . 1 1 4 4 ALA N N 4 124.526 124.526 119.655 4.871 25489 1780 1 4 . 1 1 4 4 ALA H H 4 8.111 8.111 8.303 -0.192 25489 1781 1 4 . 1 1 5 5 GLY N N 5 108.229 108.229 102.392 5.837 25489 1782 1 4 . 1 1 5 5 GLY H H 5 8.286 8.286 7.831 0.455 25489 1783 1 4 . 1 1 6 6 GLY N N 6 108.867 108.867 108.419 0.448 25489 1784 1 4 . 1 1 6 6 GLY H H 6 8.239 8.239 7.441 0.798 25489 1785 1 4 . 1 1 7 7 MET N N 7 119.984 119.984 120.091 -0.107 25489 1786 1 4 . 1 1 7 7 MET H H 7 8.044 8.044 7.277 0.767 25489 1787 1 4 . 1 1 8 8 SER N N 8 118.771 118.771 118.883 -0.112 25489 1788 1 4 . 1 1 8 8 SER HA H 8 4.239 4.239 4.564 -0.325 25489 1789 1 4 . 1 1 8 8 SER H H 8 8.738 8.738 8.581 0.157 25489 1790 1 4 . 1 1 9 9 GLU N N 9 122.551 122.551 127.603 -5.052 25489 1791 1 4 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.176 0.076 25489 1792 1 4 . 1 1 9 9 GLU H H 9 8.919 8.919 8.987 -0.068 25489 1793 1 4 . 1 1 10 10 LEU N N 10 120.638 120.638 119.916 0.722 25489 1794 1 4 . 1 1 10 10 LEU H H 10 8.017 8.017 8.078 -0.061 25489 1795 1 4 . 1 1 11 11 GLN N N 11 119.889 119.889 119.279 0.610 25489 1796 1 4 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.103 0.031 25489 1797 1 4 . 1 1 11 11 GLN H H 11 7.807 7.807 8.277 -0.470 25489 1798 1 4 . 1 1 12 12 TRP N N 12 120.951 120.951 121.931 -0.980 25489 1799 1 4 . 1 1 12 12 TRP H H 12 8.202 8.202 8.017 0.185 25489 1800 1 4 . 1 1 13 13 GLU N N 13 121.870 121.870 118.924 2.946 25489 1801 1 4 . 1 1 13 13 GLU H H 13 8.436 8.436 8.551 -0.115 25489 1802 1 4 . 1 1 14 14 GLN N N 14 120.646 120.646 117.902 2.744 25489 1803 1 4 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.878 0.291 25489 1804 1 4 . 1 1 14 14 GLN H H 14 8.159 8.159 7.414 0.745 25489 1805 1 4 . 1 1 15 15 ALA N N 15 123.216 123.216 122.610 0.606 25489 1806 1 4 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.720 0.618 25489 1807 1 4 . 1 1 15 15 ALA H H 15 8.355 8.355 7.213 1.142 25489 1808 1 4 . 1 1 16 16 GLN N N 16 117.766 117.766 114.431 3.335 25489 1809 1 4 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.885 -0.180 25489 1810 1 4 . 1 1 16 16 GLN H H 16 8.440 8.440 7.667 0.773 25489 1811 1 4 . 1 1 17 17 ASP N N 17 120.090 120.090 119.372 0.718 25489 1812 1 4 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.460 0.003 25489 1813 1 4 . 1 1 17 17 ASP H H 17 7.899 7.899 7.313 0.586 25489 1814 1 4 . 1 1 18 18 TYR N N 18 122.296 122.296 119.690 2.606 25489 1815 1 4 . 1 1 18 18 TYR H H 18 8.264 8.264 7.600 0.664 25489 1816 1 4 . 1 1 19 19 LEU N N 19 117.675 117.675 118.440 -0.765 25489 1817 1 4 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.149 -0.024 25489 1818 1 4 . 1 1 19 19 LEU H H 19 8.687 8.687 7.930 0.757 25489 1819 1 4 . 1 1 20 20 LYS N N 20 124.620 124.620 119.310 5.310 25489 1820 1 4 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.158 -0.015 25489 1821 1 4 . 1 1 20 20 LYS H H 20 8.790 8.790 7.878 0.912 25489 1822 1 4 . 1 1 21 21 ARG N N 21 117.608 117.608 116.625 0.983 25489 1823 1 4 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.309 -0.612 25489 1824 1 4 . 1 1 21 21 ARG H H 21 7.835 7.835 7.544 0.291 25489 1825 1 4 . 1 1 22 22 PHE N N 22 112.136 112.136 119.306 -7.170 25489 1826 1 4 . 1 1 22 22 PHE H H 22 8.003 8.003 8.159 -0.156 25489 1827 1 4 . 1 1 23 23 TYR N N 23 116.244 116.244 116.040 0.204 25489 1828 1 4 . 1 1 23 23 TYR H H 23 7.678 7.678 8.541 -0.863 25489 1829 1 4 . 1 1 24 24 LEU N N 24 115.582 115.582 115.701 -0.119 25489 1830 1 4 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.521 -0.386 25489 1831 1 4 . 1 1 24 24 LEU H H 24 7.238 7.238 7.786 -0.548 25489 1832 1 4 . 1 1 25 25 TYR N N 25 119.996 119.996 125.107 -5.111 25489 1833 1 4 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.578 -0.173 25489 1834 1 4 . 1 1 25 25 TYR H H 25 7.826 7.826 8.508 -0.682 25489 1835 1 4 . 1 1 26 26 ASP N N 26 129.292 129.292 128.122 1.170 25489 1836 1 4 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.722 -0.261 25489 1837 1 4 . 1 1 26 26 ASP H H 26 8.121 8.121 8.358 -0.237 25489 1838 1 4 . 1 1 28 28 GLU N N 28 122.115 122.115 121.020 1.095 25489 1839 1 4 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.308 -0.027 25489 1840 1 4 . 1 1 28 28 GLU H H 28 8.262 8.262 7.876 0.386 25489 1841 1 4 . 1 1 29 29 THR N N 29 114.171 114.171 113.780 0.391 25489 1842 1 4 . 1 1 29 29 THR HA H 29 4.222 4.222 4.333 -0.111 25489 1843 1 4 . 1 1 29 29 THR H H 29 7.496 7.496 8.191 -0.695 25489 1844 1 4 . 1 1 30 30 LYS N N 30 123.019 123.019 123.847 -0.828 25489 1845 1 4 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.045 0.173 25489 1846 1 4 . 1 1 30 30 LYS H H 30 8.154 8.154 7.665 0.489 25489 1847 1 4 . 1 1 32 32 ALA N N 32 126.481 126.481 128.612 -2.131 25489 1848 1 4 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.010 0.240 25489 1849 1 4 . 1 1 32 32 ALA H H 32 8.424 8.424 8.901 -0.477 25489 1850 1 4 . 1 1 33 33 ASN N N 33 116.834 116.834 115.896 0.938 25489 1851 1 4 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.559 0.139 25489 1852 1 4 . 1 1 33 33 ASN H H 33 8.312 8.312 8.341 -0.029 25489 1853 1 4 . 1 1 34 34 SER N N 34 116.960 116.960 116.476 0.484 25489 1854 1 4 . 1 1 34 34 SER HA H 34 4.522 4.522 4.256 0.266 25489 1855 1 4 . 1 1 34 34 SER H H 34 8.112 8.112 8.619 -0.507 25489 1856 1 4 . 1 1 35 35 LEU N N 35 125.335 125.335 120.615 4.720 25489 1857 1 4 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.047 -0.496 25489 1858 1 4 . 1 1 35 35 LEU H H 35 8.324 8.324 8.788 -0.464 25489 1859 1 4 . 1 1 36 36 GLU N N 36 119.302 119.302 119.655 -0.353 25489 1860 1 4 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.205 -0.262 25489 1861 1 4 . 1 1 36 36 GLU H H 36 8.239 8.239 7.895 0.344 25489 1862 1 4 . 1 1 37 37 ALA N N 37 120.683 120.683 122.759 -2.076 25489 1863 1 4 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.051 -0.004 25489 1864 1 4 . 1 1 37 37 ALA H H 37 7.898 7.898 8.321 -0.423 25489 1865 1 4 . 1 1 38 38 LYS N N 38 119.470 119.470 118.871 0.599 25489 1866 1 4 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.033 0.300 25489 1867 1 4 . 1 1 38 38 LYS H H 38 8.217 8.217 7.787 0.430 25489 1868 1 4 . 1 1 39 39 LEU N N 39 122.664 122.664 119.532 3.132 25489 1869 1 4 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.050 -0.136 25489 1870 1 4 . 1 1 39 39 LEU H H 39 8.658 8.658 7.609 1.049 25489 1871 1 4 . 1 1 40 40 LYS N N 40 118.301 118.301 119.365 -1.064 25489 1872 1 4 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.991 0.682 25489 1873 1 4 . 1 1 40 40 LYS H H 40 8.221 8.221 7.748 0.473 25489 1874 1 4 . 1 1 41 41 GLU N N 41 121.462 121.462 119.499 1.963 25489 1875 1 4 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.287 -0.219 25489 1876 1 4 . 1 1 41 41 GLU H H 41 7.736 7.736 7.833 -0.097 25489 1877 1 4 . 1 1 42 42 MET N N 42 123.761 123.761 121.091 2.670 25489 1878 1 4 . 1 1 42 42 MET HA H 42 4.046 4.046 4.430 -0.384 25489 1879 1 4 . 1 1 42 42 MET H H 42 7.672 7.672 8.276 -0.604 25489 1880 1 4 . 1 1 43 43 GLN N N 43 120.035 120.035 118.339 1.696 25489 1881 1 4 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.969 -0.173 25489 1882 1 4 . 1 1 43 43 GLN H H 43 8.904 8.904 8.037 0.867 25489 1883 1 4 . 1 1 44 44 LYS N N 44 119.131 119.131 120.587 -1.456 25489 1884 1 4 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.065 -0.013 25489 1885 1 4 . 1 1 44 44 LYS H H 44 8.511 8.511 7.580 0.931 25489 1886 1 4 . 1 1 45 45 PHE N N 45 123.544 123.544 119.660 3.884 25489 1887 1 4 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.154 -0.304 25489 1888 1 4 . 1 1 45 45 PHE H H 45 8.438 8.438 8.101 0.337 25489 1889 1 4 . 1 1 46 46 PHE N N 46 112.789 112.789 115.182 -2.393 25489 1890 1 4 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.333 0.249 25489 1891 1 4 . 1 1 46 46 PHE H H 46 8.273 8.273 8.254 0.019 25489 1892 1 4 . 1 1 47 47 GLY N N 47 110.408 110.408 106.333 4.075 25489 1893 1 4 . 1 1 47 47 GLY H H 47 7.922 7.922 7.769 0.153 25489 1894 1 4 . 1 1 48 48 LEU N N 48 121.853 121.853 122.848 -0.995 25489 1895 1 4 . 1 1 48 48 LEU H H 48 8.747 8.747 7.742 1.005 25489 1896 1 4 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.589 -0.388 25489 1897 1 4 . 1 1 50 50 ILE N N 50 127.000 127.000 120.682 6.318 25489 1898 1 4 . 1 1 50 50 ILE H H 50 8.529 8.529 7.613 0.916 25489 1899 1 4 . 1 1 51 51 THR N N 51 116.519 116.519 115.157 1.362 25489 1900 1 4 . 1 1 51 51 THR H H 51 7.980 7.980 8.042 -0.062 25489 1901 1 4 . 1 1 52 52 GLY N N 52 112.725 112.725 110.050 2.675 25489 1902 1 4 . 1 1 52 52 GLY H H 52 9.483 9.483 9.543 -0.060 25489 1903 1 4 . 1 1 53 53 MET N N 53 116.735 116.735 120.396 -3.661 25489 1904 1 4 . 1 1 53 53 MET HA H 53 4.044 4.044 4.816 -0.772 25489 1905 1 4 . 1 1 53 53 MET H H 53 7.969 7.969 7.791 0.178 25489 1906 1 4 . 1 1 54 54 LEU N N 54 122.602 122.602 124.916 -2.314 25489 1907 1 4 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.701 -0.995 25489 1908 1 4 . 1 1 54 54 LEU H H 54 7.926 7.926 8.731 -0.805 25489 1909 1 4 . 1 1 55 55 ASN N N 55 115.755 115.755 116.850 -1.095 25489 1910 1 4 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.769 -0.029 25489 1911 1 4 . 1 1 55 55 ASN H H 55 6.555 6.555 8.537 -1.982 25489 1912 1 4 . 1 1 56 56 SER N N 56 121.450 121.450 114.487 6.963 25489 1913 1 4 . 1 1 56 56 SER HA H 56 4.662 4.662 4.614 0.048 25489 1914 1 4 . 1 1 56 56 SER H H 56 8.205 8.205 7.805 0.400 25489 1915 1 4 . 1 1 57 57 ARG N N 57 123.219 123.219 120.983 2.236 25489 1916 1 4 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.201 0.005 25489 1917 1 4 . 1 1 57 57 ARG H H 57 7.883 7.883 8.710 -0.827 25489 1918 1 4 . 1 1 58 58 VAL N N 58 118.843 118.843 116.621 2.222 25489 1919 1 4 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.658 -0.358 25489 1920 1 4 . 1 1 58 58 VAL H H 58 7.594 7.594 7.783 -0.189 25489 1921 1 4 . 1 1 59 59 ILE N N 59 119.212 119.212 118.571 0.641 25489 1922 1 4 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.962 -0.493 25489 1923 1 4 . 1 1 59 59 ILE H H 59 7.326 7.326 8.019 -0.693 25489 1924 1 4 . 1 1 60 60 GLU N N 60 119.544 119.544 120.487 -0.943 25489 1925 1 4 . 1 1 60 60 GLU H H 60 7.880 7.880 8.093 -0.213 25489 1926 1 4 . 1 1 61 61 ILE N N 61 118.812 118.812 115.867 2.945 25489 1927 1 4 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.800 -0.358 25489 1928 1 4 . 1 1 61 61 ILE H H 61 7.217 7.217 7.409 -0.192 25489 1929 1 4 . 1 1 62 62 MET N N 62 120.202 120.202 114.888 5.314 25489 1930 1 4 . 1 1 62 62 MET HA H 62 3.419 3.419 4.213 -0.794 25489 1931 1 4 . 1 1 62 62 MET H H 62 7.820 7.820 7.253 0.567 25489 1932 1 4 . 1 1 63 63 GLN N N 63 116.274 116.274 116.890 -0.616 25489 1933 1 4 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.277 -0.036 25489 1934 1 4 . 1 1 63 63 GLN H H 63 7.442 7.442 7.337 0.105 25489 1935 1 4 . 1 1 64 64 LYS N N 64 121.450 121.450 120.252 1.198 25489 1936 1 4 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.428 0.071 25489 1937 1 4 . 1 1 64 64 LYS H H 64 7.474 7.474 7.506 -0.032 25489 1938 1 4 . 1 1 66 66 ARG N N 66 113.173 113.173 121.421 -8.248 25489 1939 1 4 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.740 -0.301 25489 1940 1 4 . 1 1 66 66 ARG H H 66 8.151 8.151 7.729 0.422 25489 1941 1 4 . 1 1 67 67 CYS N N 67 121.794 121.794 120.126 1.668 25489 1942 1 4 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.743 -0.323 25489 1943 1 4 . 1 1 67 67 CYS H H 67 7.709 7.709 8.714 -1.005 25489 1944 1 4 . 1 1 68 68 GLY N N 68 116.255 116.255 117.395 -1.140 25489 1945 1 4 . 1 1 68 68 GLY H H 68 9.707 9.707 8.768 0.939 25489 1946 1 4 . 1 1 69 69 VAL N N 69 126.541 126.541 115.368 11.173 25489 1947 1 4 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.586 -0.779 25489 1948 1 4 . 1 1 69 69 VAL H H 69 9.118 9.118 7.069 2.049 25489 1949 1 4 . 1 1 71 71 ASP N N 71 119.114 119.114 122.056 -2.942 25489 1950 1 4 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.429 0.054 25489 1951 1 4 . 1 1 71 71 ASP H H 71 8.067 8.067 8.429 -0.362 25489 1952 1 4 . 1 1 72 72 VAL N N 72 112.988 112.988 118.313 -5.325 25489 1953 1 4 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.695 0.586 25489 1954 1 4 . 1 1 72 72 VAL H H 72 6.438 6.438 7.441 -1.003 25489 1955 1 4 . 1 1 73 73 ALA N N 73 125.902 125.902 129.141 -3.239 25489 1956 1 4 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.056 0.211 25489 1957 1 4 . 1 1 73 73 ALA H H 73 8.171 8.171 6.555 1.616 25489 1958 1 4 . 1 1 74 74 GLU N N 74 120.835 120.835 125.712 -4.877 25489 1959 1 4 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.099 -0.016 25489 1960 1 4 . 1 1 74 74 GLU H H 74 8.385 8.385 7.981 0.404 25489 1961 1 4 . 1 1 75 75 TYR N N 75 121.820 121.820 120.413 1.407 25489 1962 1 4 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.824 -0.430 25489 1963 1 4 . 1 1 75 75 TYR H H 75 8.102 8.102 7.566 0.536 25489 1964 1 4 . 1 1 76 76 SER N N 76 117.881 117.881 118.345 -0.464 25489 1965 1 4 . 1 1 76 76 SER H H 76 7.718 7.718 8.782 -1.064 25489 1966 1 4 . 1 1 77 77 LEU N N 77 123.835 123.835 121.473 2.362 25489 1967 1 4 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.136 -0.044 25489 1968 1 4 . 1 1 77 77 LEU H H 77 8.033 8.033 8.645 -0.612 25489 1969 1 4 . 1 1 78 78 PHE N N 78 118.893 118.893 123.431 -4.538 25489 1970 1 4 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.644 0.201 25489 1971 1 4 . 1 1 78 78 PHE H H 78 7.822 7.822 7.743 0.079 25489 1972 1 4 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.288 0.043 25489 1973 1 4 . 1 1 80 80 ASN N N 80 118.184 118.184 122.811 -4.627 25489 1974 1 4 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.833 -0.153 25489 1975 1 4 . 1 1 80 80 ASN H H 80 8.106 8.106 8.333 -0.227 25489 1976 1 4 . 1 1 81 81 SER HA H 81 4.636 4.636 4.710 -0.074 25489 1977 1 4 . 1 1 83 83 LYS N N 83 114.696 114.696 113.373 1.323 25489 1978 1 4 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.743 -0.520 25489 1979 1 4 . 1 1 83 83 LYS H H 83 7.361 7.361 7.426 -0.065 25489 1980 1 4 . 1 1 84 84 TRP N N 84 122.459 122.459 122.234 0.225 25489 1981 1 4 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.671 -0.668 25489 1982 1 4 . 1 1 84 84 TRP H H 84 8.020 8.020 8.621 -0.601 25489 1983 1 4 . 1 1 85 85 THR N N 85 113.482 113.482 119.833 -6.351 25489 1984 1 4 . 1 1 85 85 THR HA H 85 4.586 4.586 4.297 0.289 25489 1985 1 4 . 1 1 85 85 THR H H 85 8.833 8.833 7.775 1.058 25489 1986 1 4 . 1 1 86 86 SER N N 86 117.316 117.316 116.197 1.119 25489 1987 1 4 . 1 1 86 86 SER HA H 86 4.665 4.665 4.277 0.388 25489 1988 1 4 . 1 1 86 86 SER H H 86 7.724 7.724 7.187 0.537 25489 1989 1 4 . 1 1 87 87 LYS N N 87 120.411 120.411 125.151 -4.740 25489 1990 1 4 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.381 -0.242 25489 1991 1 4 . 1 1 87 87 LYS H H 87 8.312 8.312 8.671 -0.359 25489 1992 1 4 . 1 1 88 88 VAL N N 88 117.674 117.674 113.682 3.992 25489 1993 1 4 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.603 0.048 25489 1994 1 4 . 1 1 88 88 VAL H H 88 7.425 7.425 7.306 0.119 25489 1995 1 4 . 1 1 89 89 VAL N N 89 131.493 131.493 124.562 6.931 25489 1996 1 4 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.883 -0.742 25489 1997 1 4 . 1 1 89 89 VAL H H 89 8.574 8.574 8.834 -0.260 25489 1998 1 4 . 1 1 90 90 THR N N 90 118.245 118.245 118.403 -0.158 25489 1999 1 4 . 1 1 90 90 THR HA H 90 5.627 5.627 5.275 0.352 25489 2000 1 4 . 1 1 90 90 THR H H 90 9.021 9.021 8.568 0.453 25489 2001 1 4 . 1 1 91 91 TYR N N 91 118.267 118.267 120.349 -2.082 25489 2002 1 4 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.462 0.212 25489 2003 1 4 . 1 1 91 91 TYR H H 91 8.555 8.555 9.257 -0.702 25489 2004 1 4 . 1 1 92 92 ARG N N 92 120.260 120.260 121.461 -1.201 25489 2005 1 4 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.836 -0.190 25489 2006 1 4 . 1 1 92 92 ARG H H 92 8.513 8.513 8.860 -0.347 25489 2007 1 4 . 1 1 93 93 ILE N N 93 128.361 128.361 127.147 1.214 25489 2008 1 4 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.602 0.017 25489 2009 1 4 . 1 1 93 93 ILE H H 93 8.878 8.878 9.057 -0.179 25489 2010 1 4 . 1 1 94 94 VAL N N 94 126.374 126.374 121.654 4.720 25489 2011 1 4 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.418 -0.418 25489 2012 1 4 . 1 1 94 94 VAL H H 94 9.492 9.492 8.712 0.780 25489 2013 1 4 . 1 1 95 95 SER N N 95 113.303 113.303 114.815 -1.512 25489 2014 1 4 . 1 1 95 95 SER HA H 95 4.705 4.705 4.819 -0.114 25489 2015 1 4 . 1 1 95 95 SER H H 95 7.431 7.431 7.635 -0.204 25489 2016 1 4 . 1 1 96 96 TYR N N 96 117.054 117.054 119.858 -2.804 25489 2017 1 4 . 1 1 96 96 TYR H H 96 8.255 8.255 8.901 -0.646 25489 2018 1 4 . 1 1 98 98 ARG N N 98 128.445 128.445 126.662 1.783 25489 2019 1 4 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.274 0.064 25489 2020 1 4 . 1 1 98 98 ARG H H 98 8.964 8.964 8.863 0.101 25489 2021 1 4 . 1 1 99 99 ASP N N 99 120.412 120.412 117.996 2.416 25489 2022 1 4 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.684 -0.349 25489 2023 1 4 . 1 1 99 99 ASP H H 99 8.695 8.695 7.758 0.937 25489 2024 1 4 . 1 1 100 100 LEU N N 100 116.851 116.851 119.131 -2.280 25489 2025 1 4 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.628 0.305 25489 2026 1 4 . 1 1 100 100 LEU H H 100 6.902 6.902 7.190 -0.288 25489 2027 1 4 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.101 0.066 25489 2028 1 4 . 1 1 103 103 ILE N N 103 115.469 115.469 115.668 -0.199 25489 2029 1 4 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.806 0.367 25489 2030 1 4 . 1 1 103 103 ILE H H 103 8.296 8.296 8.013 0.283 25489 2031 1 4 . 1 1 104 104 THR N N 104 119.413 119.413 117.021 2.392 25489 2032 1 4 . 1 1 104 104 THR HA H 104 4.019 4.019 3.985 0.034 25489 2033 1 4 . 1 1 104 104 THR H H 104 6.915 6.915 7.542 -0.627 25489 2034 1 4 . 1 1 105 105 VAL N N 105 123.232 123.232 121.397 1.835 25489 2035 1 4 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.308 0.106 25489 2036 1 4 . 1 1 105 105 VAL H H 105 7.379 7.379 7.571 -0.192 25489 2037 1 4 . 1 1 106 106 ASP N N 106 120.160 120.160 119.090 1.070 25489 2038 1 4 . 1 1 106 106 ASP H H 106 8.615 8.615 7.992 0.623 25489 2039 1 4 . 1 1 107 107 ARG N N 107 121.041 121.041 118.900 2.141 25489 2040 1 4 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.152 -0.062 25489 2041 1 4 . 1 1 107 107 ARG H H 107 8.372 8.372 7.637 0.735 25489 2042 1 4 . 1 1 108 108 LEU N N 108 121.644 121.644 121.406 0.238 25489 2043 1 4 . 1 1 108 108 LEU HA H 108 4.253 4.253 3.998 0.255 25489 2044 1 4 . 1 1 108 108 LEU H H 108 8.768 8.768 8.007 0.761 25489 2045 1 4 . 1 1 109 109 VAL N N 109 120.347 120.347 119.735 0.612 25489 2046 1 4 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.454 -0.083 25489 2047 1 4 . 1 1 109 109 VAL H H 109 8.762 8.762 8.357 0.405 25489 2048 1 4 . 1 1 110 110 SER N N 110 112.949 112.949 115.216 -2.267 25489 2049 1 4 . 1 1 110 110 SER HA H 110 4.270 4.270 3.871 0.399 25489 2050 1 4 . 1 1 110 110 SER H H 110 7.605 7.605 8.103 -0.498 25489 2051 1 4 . 1 1 111 111 LYS N N 111 122.434 122.434 121.285 1.149 25489 2052 1 4 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.932 0.110 25489 2053 1 4 . 1 1 111 111 LYS H H 111 8.146 8.146 8.285 -0.139 25489 2054 1 4 . 1 1 112 112 ALA N N 112 124.099 124.099 121.468 2.631 25489 2055 1 4 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.733 0.344 25489 2056 1 4 . 1 1 112 112 ALA H H 112 8.270 8.270 7.216 1.054 25489 2057 1 4 . 1 1 113 113 LEU N N 113 116.251 116.251 119.055 -2.804 25489 2058 1 4 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.439 0.283 25489 2059 1 4 . 1 1 113 113 LEU H H 113 8.019 8.019 8.126 -0.107 25489 2060 1 4 . 1 1 114 114 ASN N N 114 116.659 116.659 115.466 1.193 25489 2061 1 4 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.577 -0.048 25489 2062 1 4 . 1 1 114 114 ASN H H 114 8.197 8.197 7.946 0.251 25489 2063 1 4 . 1 1 115 115 MET N N 115 122.118 122.118 118.382 3.736 25489 2064 1 4 . 1 1 115 115 MET HA H 115 4.013 4.013 4.218 -0.205 25489 2065 1 4 . 1 1 115 115 MET H H 115 7.918 7.918 6.992 0.926 25489 2066 1 4 . 1 1 116 116 TRP N N 116 117.117 117.117 117.302 -0.185 25489 2067 1 4 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.665 -0.155 25489 2068 1 4 . 1 1 116 116 TRP H H 116 6.773 6.773 7.394 -0.621 25489 2069 1 4 . 1 1 117 117 GLY N N 117 104.656 104.656 106.195 -1.539 25489 2070 1 4 . 1 1 117 117 GLY H H 117 9.305 9.305 8.696 0.609 25489 2071 1 4 . 1 1 118 118 LYS N N 118 118.567 118.567 119.311 -0.744 25489 2072 1 4 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.330 -0.153 25489 2073 1 4 . 1 1 118 118 LYS H H 118 7.947 7.947 7.795 0.152 25489 2074 1 4 . 1 1 119 119 GLU N N 119 113.899 113.899 118.234 -4.335 25489 2075 1 4 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.369 0.439 25489 2076 1 4 . 1 1 119 119 GLU H H 119 7.773 7.773 7.850 -0.077 25489 2077 1 4 . 1 1 120 120 ILE N N 120 111.215 111.215 119.509 -8.294 25489 2078 1 4 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.638 0.683 25489 2079 1 4 . 1 1 120 120 ILE H H 120 7.528 7.528 8.335 -0.807 25489 2080 1 4 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.594 0.027 25489 2081 1 4 . 1 1 122 122 LEU N N 122 121.481 121.481 122.222 -0.741 25489 2082 1 4 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.468 -0.176 25489 2083 1 4 . 1 1 122 122 LEU H H 122 6.815 6.815 8.066 -1.251 25489 2084 1 4 . 1 1 123 123 HIS N N 123 120.769 120.769 123.436 -2.667 25489 2085 1 4 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.360 0.232 25489 2086 1 4 . 1 1 123 123 HIS H H 123 7.709 7.709 8.437 -0.728 25489 2087 1 4 . 1 1 124 124 PHE N N 124 120.530 120.530 123.393 -2.863 25489 2088 1 4 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.961 0.851 25489 2089 1 4 . 1 1 124 124 PHE H H 124 8.306 8.306 7.414 0.892 25489 2090 1 4 . 1 1 125 125 ARG N N 125 123.891 123.891 125.334 -1.443 25489 2091 1 4 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.485 0.168 25489 2092 1 4 . 1 1 125 125 ARG H H 125 8.408 8.408 8.589 -0.181 25489 2093 1 4 . 1 1 126 126 LYS N N 126 130.178 130.178 125.563 4.615 25489 2094 1 4 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.403 -0.042 25489 2095 1 4 . 1 1 126 126 LYS H H 126 8.468 8.468 8.591 -0.123 25489 2096 1 4 . 1 1 127 127 VAL N N 127 125.180 125.180 125.708 -0.528 25489 2097 1 4 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.375 0.133 25489 2098 1 4 . 1 1 127 127 VAL H H 127 8.679 8.679 7.916 0.763 25489 2099 1 4 . 1 1 128 128 VAL N N 128 117.584 117.584 119.891 -2.307 25489 2100 1 4 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.335 -0.049 25489 2101 1 4 . 1 1 128 128 VAL H H 128 8.469 8.469 8.320 0.149 25489 2102 1 4 . 1 1 129 129 TRP N N 129 119.805 119.805 120.289 -0.484 25489 2103 1 4 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.710 -0.024 25489 2104 1 4 . 1 1 129 129 TRP H H 129 7.447 7.447 7.694 -0.247 25489 2105 1 4 . 1 1 130 130 GLY N N 130 109.844 109.844 112.643 -2.799 25489 2106 1 4 . 1 1 130 130 GLY H H 130 8.072 8.072 7.437 0.635 25489 2107 1 4 . 1 1 131 131 THR N N 131 116.125 116.125 112.191 3.934 25489 2108 1 4 . 1 1 131 131 THR HA H 131 4.123 4.123 4.219 -0.096 25489 2109 1 4 . 1 1 131 131 THR H H 131 8.196 8.196 7.971 0.225 25489 2110 1 4 . 1 1 132 132 ALA N N 132 129.613 129.613 130.053 -0.440 25489 2111 1 4 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.487 0.024 25489 2112 1 4 . 1 1 132 132 ALA H H 132 7.919 7.919 7.966 -0.047 25489 2113 1 4 . 1 1 133 133 ASP N N 133 123.004 123.004 121.842 1.162 25489 2114 1 4 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.655 -0.213 25489 2115 1 4 . 1 1 133 133 ASP H H 133 8.248 8.248 8.509 -0.261 25489 2116 1 4 . 1 1 134 134 ILE N N 134 125.478 125.478 122.478 3.000 25489 2117 1 4 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.430 -0.337 25489 2118 1 4 . 1 1 134 134 ILE H H 134 8.804 8.804 8.366 0.438 25489 2119 1 4 . 1 1 135 135 MET N N 135 127.471 127.471 127.835 -0.364 25489 2120 1 4 . 1 1 135 135 MET HA H 135 5.194 5.194 5.194 -0.000 25489 2121 1 4 . 1 1 135 135 MET H H 135 7.437 7.437 8.653 -1.216 25489 2122 1 4 . 1 1 136 136 ILE N N 136 125.040 125.040 125.067 -0.027 25489 2123 1 4 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.632 0.945 25489 2124 1 4 . 1 1 136 136 ILE H H 136 9.085 9.085 8.677 0.408 25489 2125 1 4 . 1 1 137 137 GLY N N 137 112.059 112.059 113.067 -1.008 25489 2126 1 4 . 1 1 137 137 GLY H H 137 8.568 8.568 8.668 -0.100 25489 2127 1 4 . 1 1 138 138 PHE N N 138 119.447 119.447 119.756 -0.309 25489 2128 1 4 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.529 -0.075 25489 2129 1 4 . 1 1 138 138 PHE H H 138 7.861 7.861 8.616 -0.755 25489 2130 1 4 . 1 1 139 139 ALA N N 139 123.657 123.657 125.642 -1.985 25489 2131 1 4 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.638 0.097 25489 2132 1 4 . 1 1 139 139 ALA H H 139 8.939 8.939 9.073 -0.134 25489 2133 1 4 . 1 1 140 140 ARG N N 140 118.688 118.688 120.648 -1.960 25489 2134 1 4 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.392 0.682 25489 2135 1 4 . 1 1 140 140 ARG H H 140 8.563 8.563 8.575 -0.012 25489 2136 1 4 . 1 1 141 141 GLY N N 141 108.964 108.964 107.348 1.616 25489 2137 1 4 . 1 1 141 141 GLY H H 141 9.018 9.018 8.131 0.887 25489 2138 1 4 . 1 1 143 143 HIS N N 143 120.218 120.218 116.210 4.008 25489 2139 1 4 . 1 1 143 143 HIS H H 143 8.998 8.998 7.846 1.152 25489 2140 1 4 . 1 1 145 145 ASP N N 145 117.684 117.684 120.480 -2.796 25489 2141 1 4 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.667 0.033 25489 2142 1 4 . 1 1 145 145 ASP H H 145 7.088 7.088 8.435 -1.347 25489 2143 1 4 . 1 1 146 146 SER HA H 146 4.140 4.140 4.437 -0.297 25489 2144 1 4 . 1 1 146 146 SER H H 146 8.220 8.220 7.796 0.424 25489 2145 1 4 . 1 1 147 147 TYR N N 147 120.867 120.867 123.789 -2.922 25489 2146 1 4 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.261 0.527 25489 2147 1 4 . 1 1 147 147 TYR H H 147 7.459 7.459 8.663 -1.204 25489 2148 1 4 . 1 1 149 149 PHE N N 149 120.630 120.630 122.955 -2.325 25489 2149 1 4 . 1 1 149 149 PHE H H 149 8.018 8.018 8.647 -0.629 25489 2150 1 4 . 1 1 150 150 ASP N N 150 115.626 115.626 115.551 0.075 25489 2151 1 4 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.273 0.570 25489 2152 1 4 . 1 1 150 150 ASP H H 150 7.543 7.543 8.034 -0.491 25489 2153 1 4 . 1 1 151 151 GLY N N 151 110.700 110.700 108.666 2.034 25489 2154 1 4 . 1 1 151 151 GLY H H 151 9.074 9.074 8.213 0.861 25489 2155 1 4 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.600 -0.574 25489 2156 1 4 . 1 1 153 153 GLY N N 153 118.786 118.786 115.140 3.646 25489 2157 1 4 . 1 1 153 153 GLY H H 153 11.385 11.385 8.094 3.291 25489 2158 1 4 . 1 1 154 154 ASN N N 154 120.613 120.613 124.425 -3.812 25489 2159 1 4 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.345 -0.147 25489 2160 1 4 . 1 1 154 154 ASN H H 154 9.225 9.225 8.458 0.767 25489 2161 1 4 . 1 1 155 155 THR N N 155 118.700 118.700 113.842 4.858 25489 2162 1 4 . 1 1 155 155 THR HA H 155 5.542 5.542 4.130 1.412 25489 2163 1 4 . 1 1 155 155 THR H H 155 9.519 9.519 8.493 1.026 25489 2164 1 4 . 1 1 156 156 LEU N N 156 122.765 122.765 122.211 0.554 25489 2165 1 4 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.812 0.130 25489 2166 1 4 . 1 1 156 156 LEU H H 156 8.500 8.500 8.859 -0.359 25489 2167 1 4 . 1 1 157 157 ALA N N 157 115.545 115.545 118.590 -3.045 25489 2168 1 4 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.994 0.013 25489 2169 1 4 . 1 1 157 157 ALA H H 157 7.545 7.545 7.504 0.041 25489 2170 1 4 . 1 1 158 158 HIS N N 158 111.868 111.868 114.684 -2.816 25489 2171 1 4 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.874 -0.257 25489 2172 1 4 . 1 1 158 158 HIS H H 158 8.774 8.774 8.540 0.234 25489 2173 1 4 . 1 1 159 159 ALA N N 159 118.565 118.565 121.962 -3.397 25489 2174 1 4 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.698 -0.041 25489 2175 1 4 . 1 1 159 159 ALA H H 159 6.114 6.114 8.181 -2.067 25489 2176 1 4 . 1 1 160 160 PHE N N 160 118.042 118.042 118.140 -0.098 25489 2177 1 4 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.786 -0.305 25489 2178 1 4 . 1 1 160 160 PHE H H 160 7.897 7.897 7.956 -0.059 25489 2179 1 4 . 1 1 161 161 ALA N N 161 123.548 123.548 124.708 -1.160 25489 2180 1 4 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.345 0.138 25489 2181 1 4 . 1 1 161 161 ALA H H 161 8.089 8.089 8.636 -0.547 25489 2182 1 4 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.351 -1.480 25489 2183 1 4 . 1 1 163 163 GLY N N 163 107.255 107.255 109.289 -2.034 25489 2184 1 4 . 1 1 163 163 GLY H H 163 5.992 5.992 7.822 -1.830 25489 2185 1 4 . 1 1 165 165 GLY H H 165 9.149 9.149 7.823 1.326 25489 2186 1 4 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.117 0.036 25489 2187 1 4 . 1 1 167 167 GLY N N 167 103.338 103.338 104.061 -0.723 25489 2188 1 4 . 1 1 167 167 GLY H H 167 7.774 7.774 7.373 0.401 25489 2189 1 4 . 1 1 168 168 GLY N N 168 121.031 121.031 108.638 12.393 25489 2190 1 4 . 1 1 168 168 GLY H H 168 7.685 7.685 7.944 -0.259 25489 2191 1 4 . 1 1 169 169 ASP N N 169 123.703 123.703 121.441 2.262 25489 2192 1 4 . 1 1 169 169 ASP H H 169 8.578 8.578 7.843 0.735 25489 2193 1 4 . 1 1 170 170 ALA N N 170 119.569 119.569 119.093 0.476 25489 2194 1 4 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.689 0.015 25489 2195 1 4 . 1 1 170 170 ALA H H 170 8.371 8.371 7.880 0.491 25489 2196 1 4 . 1 1 171 171 HIS N N 171 120.286 120.286 119.487 0.799 25489 2197 1 4 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.675 1.055 25489 2198 1 4 . 1 1 171 171 HIS H H 171 8.513 8.513 8.275 0.238 25489 2199 1 4 . 1 1 172 172 PHE N N 172 120.919 120.919 124.100 -3.181 25489 2200 1 4 . 1 1 172 172 PHE H H 172 8.457 8.457 9.005 -0.548 25489 2201 1 4 . 1 1 173 173 ASP N N 173 123.993 123.993 121.127 2.866 25489 2202 1 4 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.017 -1.121 25489 2203 1 4 . 1 1 173 173 ASP H H 173 7.915 7.915 8.735 -0.820 25489 2204 1 4 . 1 1 174 174 GLU N N 174 132.684 132.684 126.366 6.318 25489 2205 1 4 . 1 1 174 174 GLU H H 174 9.461 9.461 8.196 1.265 25489 2206 1 4 . 1 1 175 175 ASP N N 175 117.313 117.313 118.118 -0.805 25489 2207 1 4 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.475 0.322 25489 2208 1 4 . 1 1 175 175 ASP H H 175 8.756 8.756 8.676 0.080 25489 2209 1 4 . 1 1 176 176 GLU N N 176 116.511 116.511 119.110 -2.599 25489 2210 1 4 . 1 1 176 176 GLU H H 176 7.154 7.154 7.629 -0.475 25489 2211 1 4 . 1 1 177 177 ARG N N 177 121.920 121.920 123.890 -1.970 25489 2212 1 4 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.391 0.234 25489 2213 1 4 . 1 1 177 177 ARG H H 177 7.555 7.555 8.169 -0.614 25489 2214 1 4 . 1 1 178 178 TRP N N 178 129.182 129.182 127.146 2.036 25489 2215 1 4 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.466 -0.353 25489 2216 1 4 . 1 1 178 178 TRP H H 178 8.788 8.788 8.140 0.648 25489 2217 1 4 . 1 1 179 179 THR N N 179 112.874 112.874 115.052 -2.178 25489 2218 1 4 . 1 1 179 179 THR HA H 179 5.015 5.015 4.747 0.268 25489 2219 1 4 . 1 1 179 179 THR H H 179 8.946 8.946 8.591 0.355 25489 2220 1 4 . 1 1 180 180 ASP N N 180 121.969 121.969 120.809 1.160 25489 2221 1 4 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.885 -0.463 25489 2222 1 4 . 1 1 180 180 ASP H H 180 8.478 8.478 8.514 -0.036 25489 2223 1 4 . 1 1 181 181 GLY N N 181 110.059 110.059 108.636 1.423 25489 2224 1 4 . 1 1 181 181 GLY H H 181 8.572 8.572 8.002 0.570 25489 2225 1 4 . 1 1 182 182 SER N N 182 115.564 115.564 115.577 -0.013 25489 2226 1 4 . 1 1 182 182 SER HA H 182 4.599 4.599 4.521 0.078 25489 2227 1 4 . 1 1 182 182 SER H H 182 8.173 8.173 8.017 0.156 25489 2228 1 4 . 1 1 183 183 SER N N 183 117.066 117.066 112.810 4.256 25489 2229 1 4 . 1 1 183 183 SER H H 183 7.819 7.819 7.961 -0.142 25489 2230 1 4 . 1 1 184 184 LEU N N 184 121.954 121.954 120.426 1.528 25489 2231 1 4 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.309 0.053 25489 2232 1 4 . 1 1 184 184 LEU H H 184 8.104 8.104 8.202 -0.098 25489 2233 1 4 . 1 1 185 185 GLY N N 185 108.989 108.989 105.681 3.308 25489 2234 1 4 . 1 1 185 185 GLY H H 185 7.954 7.954 7.549 0.405 25489 2235 1 4 . 1 1 186 186 ILE N N 186 123.084 123.084 121.541 1.543 25489 2236 1 4 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.155 0.624 25489 2237 1 4 . 1 1 186 186 ILE H H 186 8.878 8.878 7.946 0.932 25489 2238 1 4 . 1 1 187 187 ASN N N 187 126.999 126.999 126.342 0.657 25489 2239 1 4 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.937 -0.541 25489 2240 1 4 . 1 1 187 187 ASN H H 187 8.575 8.575 8.052 0.523 25489 2241 1 4 . 1 1 188 188 PHE N N 188 129.819 129.819 128.834 0.985 25489 2242 1 4 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.503 0.088 25489 2243 1 4 . 1 1 188 188 PHE H H 188 9.365 9.365 9.250 0.115 25489 2244 1 4 . 1 1 189 189 LEU N N 189 119.292 119.292 120.466 -1.174 25489 2245 1 4 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.737 0.096 25489 2246 1 4 . 1 1 189 189 LEU H H 189 8.551 8.551 8.012 0.539 25489 2247 1 4 . 1 1 191 191 ALA N N 191 120.347 120.347 119.838 0.509 25489 2248 1 4 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.292 0.005 25489 2249 1 4 . 1 1 191 191 ALA H H 191 7.973 7.973 8.122 -0.149 25489 2250 1 4 . 1 1 192 192 ALA N N 192 121.365 121.365 120.529 0.836 25489 2251 1 4 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.057 -0.040 25489 2252 1 4 . 1 1 192 192 ALA H H 192 9.258 9.258 8.087 1.171 25489 2253 1 4 . 1 1 193 193 THR N N 193 117.027 117.027 113.927 3.100 25489 2254 1 4 . 1 1 193 193 THR HA H 193 3.825 3.825 3.801 0.024 25489 2255 1 4 . 1 1 193 193 THR H H 193 8.209 8.209 7.859 0.350 25489 2256 1 4 . 1 1 194 194 HIS N N 194 120.231 120.231 122.971 -2.740 25489 2257 1 4 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.339 -0.106 25489 2258 1 4 . 1 1 194 194 HIS H H 194 7.805 7.805 7.953 -0.148 25489 2259 1 4 . 1 1 195 195 ALA N N 195 121.346 121.346 120.383 0.963 25489 2260 1 4 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.537 -0.357 25489 2261 1 4 . 1 1 195 195 ALA H H 195 8.693 8.693 7.970 0.723 25489 2262 1 4 . 1 1 196 196 LEU N N 196 114.951 114.951 116.903 -1.952 25489 2263 1 4 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.368 -0.210 25489 2264 1 4 . 1 1 196 196 LEU H H 196 8.714 8.714 7.655 1.059 25489 2265 1 4 . 1 1 197 197 GLY N N 197 107.954 107.954 106.426 1.528 25489 2266 1 4 . 1 1 197 197 GLY H H 197 7.540 7.540 7.653 -0.113 25489 2267 1 4 . 1 1 198 198 HIS N N 198 121.996 121.996 119.194 2.802 25489 2268 1 4 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.423 0.386 25489 2269 1 4 . 1 1 198 198 HIS H H 198 7.205 7.205 7.491 -0.286 25489 2270 1 4 . 1 1 199 199 SER N N 199 118.570 118.570 115.113 3.457 25489 2271 1 4 . 1 1 199 199 SER HA H 199 4.448 4.448 4.449 -0.001 25489 2272 1 4 . 1 1 199 199 SER H H 199 7.886 7.886 7.961 -0.075 25489 2273 1 4 . 1 1 200 200 LEU N N 200 114.779 114.779 119.842 -5.063 25489 2274 1 4 . 1 1 200 200 LEU H H 200 7.106 7.106 7.316 -0.210 25489 2275 1 4 . 1 1 201 201 GLY N N 201 108.350 108.350 106.380 1.970 25489 2276 1 4 . 1 1 201 201 GLY H H 201 8.213 8.213 7.581 0.632 25489 2277 1 4 . 1 1 202 202 MET N N 202 119.623 119.623 117.876 1.747 25489 2278 1 4 . 1 1 202 202 MET HA H 202 4.484 4.484 4.567 -0.083 25489 2279 1 4 . 1 1 202 202 MET H H 202 8.189 8.189 7.590 0.599 25489 2280 1 4 . 1 1 203 203 GLY N N 203 109.770 109.770 106.650 3.120 25489 2281 1 4 . 1 1 203 203 GLY H H 203 8.413 8.413 8.386 0.028 25489 2282 1 4 . 1 1 204 204 HIS N N 204 115.793 115.793 116.487 -0.694 25489 2283 1 4 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.972 0.402 25489 2284 1 4 . 1 1 204 204 HIS H H 204 8.383 8.383 8.363 0.020 25489 2285 1 4 . 1 1 205 205 SER N N 205 115.497 115.497 113.616 1.881 25489 2286 1 4 . 1 1 205 205 SER HA H 205 4.721 4.721 4.723 -0.002 25489 2287 1 4 . 1 1 205 205 SER H H 205 7.223 7.223 8.240 -1.017 25489 2288 1 4 . 1 1 206 206 SER N N 206 119.268 119.268 113.733 5.535 25489 2289 1 4 . 1 1 206 206 SER HA H 206 3.721 3.721 4.429 -0.708 25489 2290 1 4 . 1 1 206 206 SER H H 206 8.290 8.290 8.627 -0.337 25489 2291 1 4 . 1 1 207 207 ASP N N 207 126.656 126.656 121.861 4.795 25489 2292 1 4 . 1 1 207 207 ASP H H 207 8.541 8.541 8.153 0.388 25489 2293 1 4 . 1 1 209 209 ASN N N 209 115.911 115.911 114.269 1.642 25489 2294 1 4 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.753 -0.137 25489 2295 1 4 . 1 1 209 209 ASN H H 209 8.374 8.374 8.696 -0.322 25489 2296 1 4 . 1 1 210 210 ALA N N 210 124.929 124.929 122.513 2.416 25489 2297 1 4 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.570 -0.416 25489 2298 1 4 . 1 1 210 210 ALA H H 210 8.182 8.182 7.382 0.800 25489 2299 1 4 . 1 1 211 211 VAL N N 211 130.383 130.383 122.521 7.862 25489 2300 1 4 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.690 0.560 25489 2301 1 4 . 1 1 211 211 VAL H H 211 11.554 11.554 9.947 1.607 25489 2302 1 4 . 1 1 212 212 MET N N 212 113.319 113.319 116.097 -2.778 25489 2303 1 4 . 1 1 212 212 MET H H 212 7.741 7.741 7.990 -0.249 25489 2304 1 4 . 1 1 213 213 TYR N N 213 130.006 130.006 123.725 6.281 25489 2305 1 4 . 1 1 213 213 TYR H H 213 7.899 7.899 7.653 0.246 25489 2306 1 4 . 1 1 215 215 THR N N 215 104.747 104.747 112.772 -8.025 25489 2307 1 4 . 1 1 215 215 THR HA H 215 4.404 4.404 4.439 -0.035 25489 2308 1 4 . 1 1 215 215 THR H H 215 6.402 6.402 7.413 -1.011 25489 2309 1 4 . 1 1 216 216 TYR N N 216 124.699 124.699 123.889 0.810 25489 2310 1 4 . 1 1 216 216 TYR H H 216 8.341 8.341 8.598 -0.257 25489 2311 1 4 . 1 1 217 217 GLY N N 217 116.288 116.288 113.345 2.943 25489 2312 1 4 . 1 1 217 217 GLY H H 217 7.685 7.685 6.883 0.802 25489 2313 1 4 . 1 1 218 218 ASN N N 218 119.920 119.920 116.297 3.623 25489 2314 1 4 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.362 0.258 25489 2315 1 4 . 1 1 218 218 ASN H H 218 8.221 8.221 8.570 -0.349 25489 2316 1 4 . 1 1 219 219 GLY N N 219 109.601 109.601 110.090 -0.489 25489 2317 1 4 . 1 1 219 219 GLY H H 219 8.072 8.072 7.563 0.509 25489 2318 1 4 . 1 1 220 220 ASP N N 220 123.006 123.006 123.691 -0.685 25489 2319 1 4 . 1 1 220 220 ASP H H 220 8.280 8.280 7.789 0.491 25489 2320 1 4 . 1 1 222 222 GLN N N 222 116.642 116.642 124.516 -7.874 25489 2321 1 4 . 1 1 222 222 GLN H H 222 8.215 8.215 8.594 -0.379 25489 2322 1 4 . 1 1 223 223 ASN N N 223 118.361 118.361 114.935 3.426 25489 2323 1 4 . 1 1 223 223 ASN H H 223 7.970 7.970 7.931 0.039 25489 2324 1 4 . 1 1 225 225 LYS N N 225 122.215 122.215 125.085 -2.870 25489 2325 1 4 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.597 -0.181 25489 2326 1 4 . 1 1 225 225 LYS H H 225 7.656 7.656 7.705 -0.049 25489 2327 1 4 . 1 1 226 226 LEU N N 226 119.165 119.165 122.920 -3.755 25489 2328 1 4 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.579 -0.491 25489 2329 1 4 . 1 1 226 226 LEU H H 226 7.984 7.984 8.590 -0.606 25489 2330 1 4 . 1 1 227 227 SER N N 227 120.520 120.520 118.243 2.277 25489 2331 1 4 . 1 1 227 227 SER HA H 227 4.676 4.676 4.752 -0.076 25489 2332 1 4 . 1 1 227 227 SER H H 227 9.646 9.646 9.300 0.346 25489 2333 1 4 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.153 0.521 25489 2334 1 4 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.646 -0.272 25489 2335 1 4 . 1 1 229 229 ASP H H 229 8.113 8.113 7.646 0.467 25489 2336 1 4 . 1 1 230 230 ASP N N 230 119.878 119.878 121.486 -1.608 25489 2337 1 4 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.511 -0.173 25489 2338 1 4 . 1 1 230 230 ASP H H 230 7.397 7.397 7.727 -0.330 25489 2339 1 4 . 1 1 231 231 ILE N N 231 120.389 120.389 120.037 0.352 25489 2340 1 4 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.736 -0.081 25489 2341 1 4 . 1 1 231 231 ILE H H 231 8.100 8.100 7.840 0.260 25489 2342 1 4 . 1 1 232 232 LYS N N 232 119.084 119.084 118.965 0.119 25489 2343 1 4 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.925 0.170 25489 2344 1 4 . 1 1 232 232 LYS H H 232 8.581 8.581 7.728 0.853 25489 2345 1 4 . 1 1 233 233 GLY N N 233 106.424 106.424 105.460 0.964 25489 2346 1 4 . 1 1 233 233 GLY H H 233 8.061 8.061 7.745 0.316 25489 2347 1 4 . 1 1 234 234 ILE N N 234 125.166 125.166 123.422 1.744 25489 2348 1 4 . 1 1 234 234 ILE H H 234 8.517 8.517 7.400 1.117 25489 2349 1 4 . 1 1 235 235 GLN N N 235 122.969 122.969 118.336 4.633 25489 2350 1 4 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.431 0.950 25489 2351 1 4 . 1 1 235 235 GLN H H 235 8.291 8.291 7.891 0.400 25489 2352 1 4 . 1 1 236 236 LYS N N 236 123.770 123.770 116.922 6.848 25489 2353 1 4 . 1 1 236 236 LYS H H 236 8.035 8.035 7.544 0.491 25489 2354 1 4 . 1 1 237 237 LEU N N 237 116.854 116.854 118.562 -1.708 25489 2355 1 4 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.148 -0.189 25489 2356 1 4 . 1 1 237 237 LEU H H 237 6.886 6.886 7.205 -0.319 25489 2357 1 4 . 1 1 238 238 TYR N N 238 112.132 112.132 112.244 -0.112 25489 2358 1 4 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.809 -0.183 25489 2359 1 4 . 1 1 238 238 TYR H H 238 7.459 7.459 7.406 0.053 25489 2360 1 4 . 1 1 239 239 GLY N N 239 110.898 110.898 109.425 1.473 25489 2361 1 4 . 1 1 239 239 GLY H H 239 8.442 8.442 7.629 0.813 25489 2362 1 4 . 1 1 240 240 LYS N N 240 114.400 114.400 125.015 -10.615 25489 2363 1 4 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.418 0.386 25489 2364 1 4 . 1 1 240 240 LYS H H 240 7.865 7.865 8.451 -0.586 25489 2365 1 4 . 1 1 241 241 ARG N N 241 123.851 123.851 124.861 -1.010 25489 2366 1 4 . 1 1 241 241 ARG H H 241 7.760 7.760 8.491 -0.731 25489 2367 1 4 . 1 1 242 242 SER N N 242 135.647 135.647 116.662 18.985 25489 2368 1 4 . 1 1 242 242 SER H H 242 9.158 9.158 8.493 0.665 25489 2369 1 5 . 1 1 3 3 GLU N N 3 121.690 121.690 123.261 -1.571 25489 2370 1 5 . 1 1 3 3 GLU H H 3 8.332 8.332 8.850 -0.518 25489 2371 1 5 . 1 1 4 4 ALA N N 4 124.526 124.526 121.626 2.900 25489 2372 1 5 . 1 1 4 4 ALA H H 4 8.111 8.111 7.994 0.117 25489 2373 1 5 . 1 1 5 5 GLY N N 5 108.229 108.229 104.895 3.334 25489 2374 1 5 . 1 1 5 5 GLY H H 5 8.286 8.286 8.127 0.159 25489 2375 1 5 . 1 1 6 6 GLY N N 6 108.867 108.867 108.165 0.702 25489 2376 1 5 . 1 1 6 6 GLY H H 6 8.239 8.239 7.569 0.670 25489 2377 1 5 . 1 1 7 7 MET N N 7 119.984 119.984 118.665 1.319 25489 2378 1 5 . 1 1 7 7 MET H H 7 8.044 8.044 7.199 0.845 25489 2379 1 5 . 1 1 8 8 SER N N 8 118.771 118.771 117.673 1.098 25489 2380 1 5 . 1 1 8 8 SER HA H 8 4.239 4.239 4.373 -0.134 25489 2381 1 5 . 1 1 8 8 SER H H 8 8.738 8.738 8.354 0.384 25489 2382 1 5 . 1 1 9 9 GLU N N 9 122.551 122.551 128.877 -6.326 25489 2383 1 5 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.182 0.070 25489 2384 1 5 . 1 1 9 9 GLU H H 9 8.919 8.919 9.038 -0.119 25489 2385 1 5 . 1 1 10 10 LEU N N 10 120.638 120.638 120.129 0.509 25489 2386 1 5 . 1 1 10 10 LEU H H 10 8.017 8.017 7.772 0.245 25489 2387 1 5 . 1 1 11 11 GLN N N 11 119.889 119.889 119.059 0.830 25489 2388 1 5 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.127 0.007 25489 2389 1 5 . 1 1 11 11 GLN H H 11 7.807 7.807 7.782 0.025 25489 2390 1 5 . 1 1 12 12 TRP N N 12 120.951 120.951 121.910 -0.959 25489 2391 1 5 . 1 1 12 12 TRP H H 12 8.202 8.202 8.429 -0.227 25489 2392 1 5 . 1 1 13 13 GLU N N 13 121.870 121.870 118.956 2.914 25489 2393 1 5 . 1 1 13 13 GLU H H 13 8.436 8.436 7.790 0.646 25489 2394 1 5 . 1 1 14 14 GLN N N 14 120.646 120.646 117.660 2.986 25489 2395 1 5 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.709 0.460 25489 2396 1 5 . 1 1 14 14 GLN H H 14 8.159 8.159 7.811 0.348 25489 2397 1 5 . 1 1 15 15 ALA N N 15 123.216 123.216 121.372 1.844 25489 2398 1 5 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.994 0.344 25489 2399 1 5 . 1 1 15 15 ALA H H 15 8.355 8.355 7.461 0.894 25489 2400 1 5 . 1 1 16 16 GLN N N 16 117.766 117.766 116.161 1.605 25489 2401 1 5 . 1 1 16 16 GLN HA H 16 3.705 3.705 4.004 -0.299 25489 2402 1 5 . 1 1 16 16 GLN H H 16 8.440 8.440 7.449 0.991 25489 2403 1 5 . 1 1 17 17 ASP N N 17 120.090 120.090 121.215 -1.125 25489 2404 1 5 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.407 0.056 25489 2405 1 5 . 1 1 17 17 ASP H H 17 7.899 7.899 7.402 0.497 25489 2406 1 5 . 1 1 18 18 TYR N N 18 122.296 122.296 118.196 4.100 25489 2407 1 5 . 1 1 18 18 TYR H H 18 8.264 8.264 7.717 0.547 25489 2408 1 5 . 1 1 19 19 LEU N N 19 117.675 117.675 120.987 -3.312 25489 2409 1 5 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.355 -0.230 25489 2410 1 5 . 1 1 19 19 LEU H H 19 8.687 8.687 7.766 0.921 25489 2411 1 5 . 1 1 20 20 LYS N N 20 124.620 124.620 118.549 6.071 25489 2412 1 5 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.132 0.011 25489 2413 1 5 . 1 1 20 20 LYS H H 20 8.790 8.790 8.043 0.747 25489 2414 1 5 . 1 1 21 21 ARG N N 21 117.608 117.608 116.967 0.641 25489 2415 1 5 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.185 -0.488 25489 2416 1 5 . 1 1 21 21 ARG H H 21 7.835 7.835 7.802 0.033 25489 2417 1 5 . 1 1 22 22 PHE N N 22 112.136 112.136 119.242 -7.106 25489 2418 1 5 . 1 1 22 22 PHE H H 22 8.003 8.003 7.592 0.411 25489 2419 1 5 . 1 1 23 23 TYR N N 23 116.244 116.244 116.705 -0.461 25489 2420 1 5 . 1 1 23 23 TYR H H 23 7.678 7.678 8.386 -0.708 25489 2421 1 5 . 1 1 24 24 LEU N N 24 115.582 115.582 114.805 0.777 25489 2422 1 5 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.667 -0.532 25489 2423 1 5 . 1 1 24 24 LEU H H 24 7.238 7.238 7.838 -0.600 25489 2424 1 5 . 1 1 25 25 TYR N N 25 119.996 119.996 123.123 -3.127 25489 2425 1 5 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.504 -0.099 25489 2426 1 5 . 1 1 25 25 TYR H H 25 7.826 7.826 8.541 -0.715 25489 2427 1 5 . 1 1 26 26 ASP N N 26 129.292 129.292 127.103 2.189 25489 2428 1 5 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.549 -0.088 25489 2429 1 5 . 1 1 26 26 ASP H H 26 8.121 8.121 8.070 0.051 25489 2430 1 5 . 1 1 28 28 GLU N N 28 122.115 122.115 121.679 0.436 25489 2431 1 5 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.289 -0.008 25489 2432 1 5 . 1 1 28 28 GLU H H 28 8.262 8.262 7.716 0.546 25489 2433 1 5 . 1 1 29 29 THR N N 29 114.171 114.171 115.082 -0.911 25489 2434 1 5 . 1 1 29 29 THR HA H 29 4.222 4.222 4.168 0.054 25489 2435 1 5 . 1 1 29 29 THR H H 29 7.496 7.496 8.429 -0.933 25489 2436 1 5 . 1 1 30 30 LYS N N 30 123.019 123.019 122.505 0.514 25489 2437 1 5 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.124 0.094 25489 2438 1 5 . 1 1 30 30 LYS H H 30 8.154 8.154 7.501 0.653 25489 2439 1 5 . 1 1 32 32 ALA N N 32 126.481 126.481 124.188 2.293 25489 2440 1 5 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.914 0.336 25489 2441 1 5 . 1 1 32 32 ALA H H 32 8.424 8.424 8.772 -0.348 25489 2442 1 5 . 1 1 33 33 ASN N N 33 116.834 116.834 115.858 0.976 25489 2443 1 5 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.567 0.131 25489 2444 1 5 . 1 1 33 33 ASN H H 33 8.312 8.312 8.618 -0.306 25489 2445 1 5 . 1 1 34 34 SER N N 34 116.960 116.960 117.180 -0.220 25489 2446 1 5 . 1 1 34 34 SER HA H 34 4.522 4.522 4.280 0.242 25489 2447 1 5 . 1 1 34 34 SER H H 34 8.112 8.112 8.023 0.089 25489 2448 1 5 . 1 1 35 35 LEU N N 35 125.335 125.335 121.674 3.661 25489 2449 1 5 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.097 -0.546 25489 2450 1 5 . 1 1 35 35 LEU H H 35 8.324 8.324 8.361 -0.037 25489 2451 1 5 . 1 1 36 36 GLU N N 36 119.302 119.302 120.596 -1.294 25489 2452 1 5 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.185 -0.242 25489 2453 1 5 . 1 1 36 36 GLU H H 36 8.239 8.239 7.917 0.322 25489 2454 1 5 . 1 1 37 37 ALA N N 37 120.683 120.683 121.916 -1.233 25489 2455 1 5 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.106 -0.059 25489 2456 1 5 . 1 1 37 37 ALA H H 37 7.898 7.898 8.701 -0.803 25489 2457 1 5 . 1 1 38 38 LYS N N 38 119.470 119.470 119.094 0.376 25489 2458 1 5 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.075 0.258 25489 2459 1 5 . 1 1 38 38 LYS H H 38 8.217 8.217 7.894 0.323 25489 2460 1 5 . 1 1 39 39 LEU N N 39 122.664 122.664 120.992 1.672 25489 2461 1 5 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.046 -0.132 25489 2462 1 5 . 1 1 39 39 LEU H H 39 8.658 8.658 7.921 0.737 25489 2463 1 5 . 1 1 40 40 LYS N N 40 118.301 118.301 117.679 0.622 25489 2464 1 5 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.184 0.489 25489 2465 1 5 . 1 1 40 40 LYS H H 40 8.221 8.221 8.571 -0.350 25489 2466 1 5 . 1 1 41 41 GLU N N 41 121.462 121.462 121.006 0.456 25489 2467 1 5 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.107 -0.039 25489 2468 1 5 . 1 1 41 41 GLU H H 41 7.736 7.736 7.708 0.028 25489 2469 1 5 . 1 1 42 42 MET N N 42 123.761 123.761 119.876 3.885 25489 2470 1 5 . 1 1 42 42 MET HA H 42 4.046 4.046 4.085 -0.039 25489 2471 1 5 . 1 1 42 42 MET H H 42 7.672 7.672 7.792 -0.120 25489 2472 1 5 . 1 1 43 43 GLN N N 43 120.035 120.035 118.290 1.745 25489 2473 1 5 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.033 -0.237 25489 2474 1 5 . 1 1 43 43 GLN H H 43 8.904 8.904 8.381 0.523 25489 2475 1 5 . 1 1 44 44 LYS N N 44 119.131 119.131 117.771 1.360 25489 2476 1 5 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.235 -0.183 25489 2477 1 5 . 1 1 44 44 LYS H H 44 8.511 8.511 7.484 1.027 25489 2478 1 5 . 1 1 45 45 PHE N N 45 123.544 123.544 118.801 4.743 25489 2479 1 5 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.100 -0.250 25489 2480 1 5 . 1 1 45 45 PHE H H 45 8.438 8.438 8.012 0.426 25489 2481 1 5 . 1 1 46 46 PHE N N 46 112.789 112.789 114.681 -1.892 25489 2482 1 5 . 1 1 46 46 PHE HA H 46 4.582 4.582 5.002 -0.420 25489 2483 1 5 . 1 1 46 46 PHE H H 46 8.273 8.273 7.301 0.972 25489 2484 1 5 . 1 1 47 47 GLY N N 47 110.408 110.408 107.114 3.294 25489 2485 1 5 . 1 1 47 47 GLY H H 47 7.922 7.922 7.362 0.560 25489 2486 1 5 . 1 1 48 48 LEU N N 48 121.853 121.853 122.590 -0.737 25489 2487 1 5 . 1 1 48 48 LEU H H 48 8.747 8.747 7.574 1.173 25489 2488 1 5 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.444 -0.243 25489 2489 1 5 . 1 1 50 50 ILE N N 50 127.000 127.000 118.997 8.003 25489 2490 1 5 . 1 1 50 50 ILE H H 50 8.529 8.529 7.446 1.083 25489 2491 1 5 . 1 1 51 51 THR N N 51 116.519 116.519 115.779 0.740 25489 2492 1 5 . 1 1 51 51 THR H H 51 7.980 7.980 8.074 -0.094 25489 2493 1 5 . 1 1 52 52 GLY N N 52 112.725 112.725 112.958 -0.233 25489 2494 1 5 . 1 1 52 52 GLY H H 52 9.483 9.483 8.959 0.524 25489 2495 1 5 . 1 1 53 53 MET N N 53 116.735 116.735 119.223 -2.488 25489 2496 1 5 . 1 1 53 53 MET HA H 53 4.044 4.044 4.674 -0.630 25489 2497 1 5 . 1 1 53 53 MET H H 53 7.969 7.969 7.697 0.272 25489 2498 1 5 . 1 1 54 54 LEU N N 54 122.602 122.602 127.704 -5.102 25489 2499 1 5 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.572 -0.866 25489 2500 1 5 . 1 1 54 54 LEU H H 54 7.926 7.926 8.698 -0.772 25489 2501 1 5 . 1 1 55 55 ASN N N 55 115.755 115.755 118.178 -2.423 25489 2502 1 5 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.900 -0.160 25489 2503 1 5 . 1 1 55 55 ASN H H 55 6.555 6.555 8.816 -2.261 25489 2504 1 5 . 1 1 56 56 SER N N 56 121.450 121.450 115.820 5.630 25489 2505 1 5 . 1 1 56 56 SER HA H 56 4.662 4.662 4.824 -0.162 25489 2506 1 5 . 1 1 56 56 SER H H 56 8.205 8.205 7.655 0.550 25489 2507 1 5 . 1 1 57 57 ARG N N 57 123.219 123.219 121.966 1.253 25489 2508 1 5 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.094 0.112 25489 2509 1 5 . 1 1 57 57 ARG H H 57 7.883 7.883 8.672 -0.789 25489 2510 1 5 . 1 1 58 58 VAL N N 58 118.843 118.843 118.163 0.680 25489 2511 1 5 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.900 -0.600 25489 2512 1 5 . 1 1 58 58 VAL H H 58 7.594 7.594 8.089 -0.495 25489 2513 1 5 . 1 1 59 59 ILE N N 59 119.212 119.212 118.351 0.861 25489 2514 1 5 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.010 -0.541 25489 2515 1 5 . 1 1 59 59 ILE H H 59 7.326 7.326 7.778 -0.452 25489 2516 1 5 . 1 1 60 60 GLU N N 60 119.544 119.544 120.730 -1.186 25489 2517 1 5 . 1 1 60 60 GLU H H 60 7.880 7.880 8.278 -0.398 25489 2518 1 5 . 1 1 61 61 ILE N N 61 118.812 118.812 115.328 3.484 25489 2519 1 5 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.792 -0.350 25489 2520 1 5 . 1 1 61 61 ILE H H 61 7.217 7.217 7.509 -0.292 25489 2521 1 5 . 1 1 62 62 MET N N 62 120.202 120.202 115.706 4.496 25489 2522 1 5 . 1 1 62 62 MET HA H 62 3.419 3.419 4.144 -0.725 25489 2523 1 5 . 1 1 62 62 MET H H 62 7.820 7.820 7.410 0.410 25489 2524 1 5 . 1 1 63 63 GLN N N 63 116.274 116.274 116.363 -0.089 25489 2525 1 5 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.218 0.023 25489 2526 1 5 . 1 1 63 63 GLN H H 63 7.442 7.442 7.409 0.033 25489 2527 1 5 . 1 1 64 64 LYS N N 64 121.450 121.450 120.569 0.881 25489 2528 1 5 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.371 0.128 25489 2529 1 5 . 1 1 64 64 LYS H H 64 7.474 7.474 7.627 -0.153 25489 2530 1 5 . 1 1 66 66 ARG N N 66 113.173 113.173 121.142 -7.969 25489 2531 1 5 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.959 -0.520 25489 2532 1 5 . 1 1 66 66 ARG H H 66 8.151 8.151 7.649 0.502 25489 2533 1 5 . 1 1 67 67 CYS N N 67 121.794 121.794 120.101 1.693 25489 2534 1 5 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.667 -0.247 25489 2535 1 5 . 1 1 67 67 CYS H H 67 7.709 7.709 8.780 -1.071 25489 2536 1 5 . 1 1 68 68 GLY N N 68 116.255 116.255 117.740 -1.485 25489 2537 1 5 . 1 1 68 68 GLY H H 68 9.707 9.707 9.036 0.671 25489 2538 1 5 . 1 1 69 69 VAL N N 69 126.541 126.541 115.686 10.855 25489 2539 1 5 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.689 -0.882 25489 2540 1 5 . 1 1 69 69 VAL H H 69 9.118 9.118 7.380 1.738 25489 2541 1 5 . 1 1 71 71 ASP N N 71 119.114 119.114 120.381 -1.267 25489 2542 1 5 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.578 -0.095 25489 2543 1 5 . 1 1 71 71 ASP H H 71 8.067 8.067 8.808 -0.741 25489 2544 1 5 . 1 1 72 72 VAL N N 72 112.988 112.988 116.571 -3.583 25489 2545 1 5 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.362 0.919 25489 2546 1 5 . 1 1 72 72 VAL H H 72 6.438 6.438 7.422 -0.984 25489 2547 1 5 . 1 1 73 73 ALA N N 73 125.902 125.902 127.606 -1.704 25489 2548 1 5 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.465 -0.198 25489 2549 1 5 . 1 1 73 73 ALA H H 73 8.171 8.171 6.769 1.402 25489 2550 1 5 . 1 1 74 74 GLU N N 74 120.835 120.835 122.183 -1.348 25489 2551 1 5 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.456 -0.373 25489 2552 1 5 . 1 1 74 74 GLU H H 74 8.385 8.385 8.358 0.027 25489 2553 1 5 . 1 1 75 75 TYR N N 75 121.820 121.820 121.431 0.389 25489 2554 1 5 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.872 -0.478 25489 2555 1 5 . 1 1 75 75 TYR H H 75 8.102 8.102 7.542 0.560 25489 2556 1 5 . 1 1 76 76 SER N N 76 117.881 117.881 118.727 -0.846 25489 2557 1 5 . 1 1 76 76 SER H H 76 7.718 7.718 8.816 -1.098 25489 2558 1 5 . 1 1 77 77 LEU N N 77 123.835 123.835 121.738 2.097 25489 2559 1 5 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.073 0.019 25489 2560 1 5 . 1 1 77 77 LEU H H 77 8.033 8.033 8.680 -0.647 25489 2561 1 5 . 1 1 78 78 PHE N N 78 118.893 118.893 122.689 -3.796 25489 2562 1 5 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.703 0.142 25489 2563 1 5 . 1 1 78 78 PHE H H 78 7.822 7.822 7.915 -0.093 25489 2564 1 5 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.283 0.048 25489 2565 1 5 . 1 1 80 80 ASN N N 80 118.184 118.184 120.031 -1.847 25489 2566 1 5 . 1 1 80 80 ASN HA H 80 4.680 4.680 5.086 -0.406 25489 2567 1 5 . 1 1 80 80 ASN H H 80 8.106 8.106 8.317 -0.211 25489 2568 1 5 . 1 1 81 81 SER HA H 81 4.636 4.636 4.909 -0.273 25489 2569 1 5 . 1 1 83 83 LYS N N 83 114.696 114.696 114.593 0.103 25489 2570 1 5 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.564 -0.341 25489 2571 1 5 . 1 1 83 83 LYS H H 83 7.361 7.361 7.316 0.045 25489 2572 1 5 . 1 1 84 84 TRP N N 84 122.459 122.459 122.170 0.289 25489 2573 1 5 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.700 -0.697 25489 2574 1 5 . 1 1 84 84 TRP H H 84 8.020 8.020 8.466 -0.446 25489 2575 1 5 . 1 1 85 85 THR N N 85 113.482 113.482 118.603 -5.121 25489 2576 1 5 . 1 1 85 85 THR HA H 85 4.586 4.586 4.338 0.248 25489 2577 1 5 . 1 1 85 85 THR H H 85 8.833 8.833 8.035 0.798 25489 2578 1 5 . 1 1 86 86 SER N N 86 117.316 117.316 115.518 1.798 25489 2579 1 5 . 1 1 86 86 SER HA H 86 4.665 4.665 4.188 0.477 25489 2580 1 5 . 1 1 86 86 SER H H 86 7.724 7.724 6.998 0.726 25489 2581 1 5 . 1 1 87 87 LYS N N 87 120.411 120.411 121.727 -1.316 25489 2582 1 5 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.190 -0.051 25489 2583 1 5 . 1 1 87 87 LYS H H 87 8.312 8.312 8.625 -0.313 25489 2584 1 5 . 1 1 88 88 VAL N N 88 117.674 117.674 111.091 6.583 25489 2585 1 5 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.480 0.171 25489 2586 1 5 . 1 1 88 88 VAL H H 88 7.425 7.425 7.401 0.024 25489 2587 1 5 . 1 1 89 89 VAL N N 89 131.493 131.493 125.916 5.577 25489 2588 1 5 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.661 -0.520 25489 2589 1 5 . 1 1 89 89 VAL H H 89 8.574 8.574 8.881 -0.307 25489 2590 1 5 . 1 1 90 90 THR N N 90 118.245 118.245 120.475 -2.230 25489 2591 1 5 . 1 1 90 90 THR HA H 90 5.627 5.627 5.359 0.268 25489 2592 1 5 . 1 1 90 90 THR H H 90 9.021 9.021 8.558 0.463 25489 2593 1 5 . 1 1 91 91 TYR N N 91 118.267 118.267 120.862 -2.595 25489 2594 1 5 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.741 -0.067 25489 2595 1 5 . 1 1 91 91 TYR H H 91 8.555 8.555 9.282 -0.727 25489 2596 1 5 . 1 1 92 92 ARG N N 92 120.260 120.260 121.248 -0.988 25489 2597 1 5 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.239 -0.593 25489 2598 1 5 . 1 1 92 92 ARG H H 92 8.513 8.513 9.152 -0.639 25489 2599 1 5 . 1 1 93 93 ILE N N 93 128.361 128.361 126.633 1.728 25489 2600 1 5 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.691 -0.072 25489 2601 1 5 . 1 1 93 93 ILE H H 93 8.878 8.878 9.001 -0.123 25489 2602 1 5 . 1 1 94 94 VAL N N 94 126.374 126.374 123.056 3.318 25489 2603 1 5 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.252 -0.252 25489 2604 1 5 . 1 1 94 94 VAL H H 94 9.492 9.492 8.679 0.813 25489 2605 1 5 . 1 1 95 95 SER N N 95 113.303 113.303 114.213 -0.910 25489 2606 1 5 . 1 1 95 95 SER HA H 95 4.705 4.705 4.761 -0.056 25489 2607 1 5 . 1 1 95 95 SER H H 95 7.431 7.431 7.521 -0.090 25489 2608 1 5 . 1 1 96 96 TYR N N 96 117.054 117.054 119.177 -2.123 25489 2609 1 5 . 1 1 96 96 TYR H H 96 8.255 8.255 8.327 -0.072 25489 2610 1 5 . 1 1 98 98 ARG N N 98 128.445 128.445 125.094 3.351 25489 2611 1 5 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.398 -0.060 25489 2612 1 5 . 1 1 98 98 ARG H H 98 8.964 8.964 8.542 0.422 25489 2613 1 5 . 1 1 99 99 ASP N N 99 120.412 120.412 119.022 1.390 25489 2614 1 5 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.501 -0.166 25489 2615 1 5 . 1 1 99 99 ASP H H 99 8.695 8.695 7.718 0.977 25489 2616 1 5 . 1 1 100 100 LEU N N 100 116.851 116.851 118.914 -2.063 25489 2617 1 5 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.537 0.396 25489 2618 1 5 . 1 1 100 100 LEU H H 100 6.902 6.902 7.308 -0.406 25489 2619 1 5 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.137 0.030 25489 2620 1 5 . 1 1 103 103 ILE N N 103 115.469 115.469 113.352 2.117 25489 2621 1 5 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.964 0.209 25489 2622 1 5 . 1 1 103 103 ILE H H 103 8.296 8.296 8.094 0.202 25489 2623 1 5 . 1 1 104 104 THR N N 104 119.413 119.413 116.502 2.911 25489 2624 1 5 . 1 1 104 104 THR HA H 104 4.019 4.019 4.226 -0.207 25489 2625 1 5 . 1 1 104 104 THR H H 104 6.915 6.915 7.269 -0.354 25489 2626 1 5 . 1 1 105 105 VAL N N 105 123.232 123.232 119.670 3.562 25489 2627 1 5 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.861 -0.447 25489 2628 1 5 . 1 1 105 105 VAL H H 105 7.379 7.379 7.407 -0.028 25489 2629 1 5 . 1 1 106 106 ASP N N 106 120.160 120.160 121.352 -1.192 25489 2630 1 5 . 1 1 106 106 ASP H H 106 8.615 8.615 7.948 0.667 25489 2631 1 5 . 1 1 107 107 ARG N N 107 121.041 121.041 119.255 1.786 25489 2632 1 5 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.035 0.055 25489 2633 1 5 . 1 1 107 107 ARG H H 107 8.372 8.372 7.583 0.789 25489 2634 1 5 . 1 1 108 108 LEU N N 108 121.644 121.644 118.986 2.658 25489 2635 1 5 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.120 0.133 25489 2636 1 5 . 1 1 108 108 LEU H H 108 8.768 8.768 8.527 0.241 25489 2637 1 5 . 1 1 109 109 VAL N N 109 120.347 120.347 120.059 0.288 25489 2638 1 5 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.393 -0.022 25489 2639 1 5 . 1 1 109 109 VAL H H 109 8.762 8.762 8.209 0.553 25489 2640 1 5 . 1 1 110 110 SER N N 110 112.949 112.949 115.523 -2.574 25489 2641 1 5 . 1 1 110 110 SER HA H 110 4.270 4.270 3.716 0.554 25489 2642 1 5 . 1 1 110 110 SER H H 110 7.605 7.605 8.196 -0.591 25489 2643 1 5 . 1 1 111 111 LYS N N 111 122.434 122.434 121.232 1.202 25489 2644 1 5 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.009 0.033 25489 2645 1 5 . 1 1 111 111 LYS H H 111 8.146 8.146 7.692 0.454 25489 2646 1 5 . 1 1 112 112 ALA N N 112 124.099 124.099 121.686 2.413 25489 2647 1 5 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.580 0.497 25489 2648 1 5 . 1 1 112 112 ALA H H 112 8.270 8.270 7.508 0.762 25489 2649 1 5 . 1 1 113 113 LEU N N 113 116.251 116.251 119.206 -2.955 25489 2650 1 5 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.519 0.203 25489 2651 1 5 . 1 1 113 113 LEU H H 113 8.019 8.019 7.468 0.551 25489 2652 1 5 . 1 1 114 114 ASN N N 114 116.659 116.659 116.303 0.356 25489 2653 1 5 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.644 -0.115 25489 2654 1 5 . 1 1 114 114 ASN H H 114 8.197 8.197 8.245 -0.048 25489 2655 1 5 . 1 1 115 115 MET N N 115 122.118 122.118 117.678 4.440 25489 2656 1 5 . 1 1 115 115 MET HA H 115 4.013 4.013 4.245 -0.232 25489 2657 1 5 . 1 1 115 115 MET H H 115 7.918 7.918 7.279 0.639 25489 2658 1 5 . 1 1 116 116 TRP N N 116 117.117 117.117 119.995 -2.878 25489 2659 1 5 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.519 -0.009 25489 2660 1 5 . 1 1 116 116 TRP H H 116 6.773 6.773 7.528 -0.755 25489 2661 1 5 . 1 1 117 117 GLY N N 117 104.656 104.656 106.362 -1.706 25489 2662 1 5 . 1 1 117 117 GLY H H 117 9.305 9.305 8.906 0.399 25489 2663 1 5 . 1 1 118 118 LYS N N 118 118.567 118.567 119.135 -0.568 25489 2664 1 5 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.283 -0.106 25489 2665 1 5 . 1 1 118 118 LYS H H 118 7.947 7.947 7.492 0.455 25489 2666 1 5 . 1 1 119 119 GLU N N 119 113.899 113.899 117.237 -3.338 25489 2667 1 5 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.446 0.362 25489 2668 1 5 . 1 1 119 119 GLU H H 119 7.773 7.773 7.723 0.050 25489 2669 1 5 . 1 1 120 120 ILE N N 120 111.215 111.215 122.124 -10.909 25489 2670 1 5 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.757 0.564 25489 2671 1 5 . 1 1 120 120 ILE H H 120 7.528 7.528 8.239 -0.711 25489 2672 1 5 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.684 -0.063 25489 2673 1 5 . 1 1 122 122 LEU N N 122 121.481 121.481 119.309 2.172 25489 2674 1 5 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.564 -0.272 25489 2675 1 5 . 1 1 122 122 LEU H H 122 6.815 6.815 7.571 -0.756 25489 2676 1 5 . 1 1 123 123 HIS N N 123 120.769 120.769 119.060 1.709 25489 2677 1 5 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.730 -0.138 25489 2678 1 5 . 1 1 123 123 HIS H H 123 7.709 7.709 8.335 -0.626 25489 2679 1 5 . 1 1 124 124 PHE N N 124 120.530 120.530 119.774 0.756 25489 2680 1 5 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.937 0.875 25489 2681 1 5 . 1 1 124 124 PHE H H 124 8.306 8.306 7.446 0.860 25489 2682 1 5 . 1 1 125 125 ARG N N 125 123.891 123.891 122.734 1.157 25489 2683 1 5 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.708 -0.055 25489 2684 1 5 . 1 1 125 125 ARG H H 125 8.408 8.408 9.003 -0.595 25489 2685 1 5 . 1 1 126 126 LYS N N 126 130.178 130.178 124.577 5.601 25489 2686 1 5 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.205 0.156 25489 2687 1 5 . 1 1 126 126 LYS H H 126 8.468 8.468 8.575 -0.107 25489 2688 1 5 . 1 1 127 127 VAL N N 127 125.180 125.180 126.223 -1.043 25489 2689 1 5 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.396 0.112 25489 2690 1 5 . 1 1 127 127 VAL H H 127 8.679 8.679 8.273 0.406 25489 2691 1 5 . 1 1 128 128 VAL N N 128 117.584 117.584 118.957 -1.373 25489 2692 1 5 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.516 -0.230 25489 2693 1 5 . 1 1 128 128 VAL H H 128 8.469 8.469 8.407 0.062 25489 2694 1 5 . 1 1 129 129 TRP N N 129 119.805 119.805 121.683 -1.878 25489 2695 1 5 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.731 -0.045 25489 2696 1 5 . 1 1 129 129 TRP H H 129 7.447 7.447 7.793 -0.346 25489 2697 1 5 . 1 1 130 130 GLY N N 130 109.844 109.844 113.843 -3.999 25489 2698 1 5 . 1 1 130 130 GLY H H 130 8.072 8.072 7.686 0.386 25489 2699 1 5 . 1 1 131 131 THR N N 131 116.125 116.125 112.976 3.149 25489 2700 1 5 . 1 1 131 131 THR HA H 131 4.123 4.123 4.160 -0.037 25489 2701 1 5 . 1 1 131 131 THR H H 131 8.196 8.196 8.115 0.081 25489 2702 1 5 . 1 1 132 132 ALA N N 132 129.613 129.613 129.210 0.403 25489 2703 1 5 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.460 0.051 25489 2704 1 5 . 1 1 132 132 ALA H H 132 7.919 7.919 7.930 -0.011 25489 2705 1 5 . 1 1 133 133 ASP N N 133 123.004 123.004 121.850 1.154 25489 2706 1 5 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.611 -0.169 25489 2707 1 5 . 1 1 133 133 ASP H H 133 8.248 8.248 8.409 -0.161 25489 2708 1 5 . 1 1 134 134 ILE N N 134 125.478 125.478 122.288 3.190 25489 2709 1 5 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.265 -0.172 25489 2710 1 5 . 1 1 134 134 ILE H H 134 8.804 8.804 8.339 0.465 25489 2711 1 5 . 1 1 135 135 MET N N 135 127.471 127.471 127.965 -0.494 25489 2712 1 5 . 1 1 135 135 MET HA H 135 5.194 5.194 5.129 0.065 25489 2713 1 5 . 1 1 135 135 MET H H 135 7.437 7.437 8.503 -1.066 25489 2714 1 5 . 1 1 136 136 ILE N N 136 125.040 125.040 125.151 -0.111 25489 2715 1 5 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.478 1.099 25489 2716 1 5 . 1 1 136 136 ILE H H 136 9.085 9.085 8.586 0.499 25489 2717 1 5 . 1 1 137 137 GLY N N 137 112.059 112.059 114.459 -2.400 25489 2718 1 5 . 1 1 137 137 GLY H H 137 8.568 8.568 8.540 0.028 25489 2719 1 5 . 1 1 138 138 PHE N N 138 119.447 119.447 120.746 -1.299 25489 2720 1 5 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.640 -0.186 25489 2721 1 5 . 1 1 138 138 PHE H H 138 7.861 7.861 8.641 -0.780 25489 2722 1 5 . 1 1 139 139 ALA N N 139 123.657 123.657 126.350 -2.693 25489 2723 1 5 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.740 -0.005 25489 2724 1 5 . 1 1 139 139 ALA H H 139 8.939 8.939 8.913 0.026 25489 2725 1 5 . 1 1 140 140 ARG N N 140 118.688 118.688 120.120 -1.432 25489 2726 1 5 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.490 0.584 25489 2727 1 5 . 1 1 140 140 ARG H H 140 8.563 8.563 8.507 0.056 25489 2728 1 5 . 1 1 141 141 GLY N N 141 108.964 108.964 107.311 1.653 25489 2729 1 5 . 1 1 141 141 GLY H H 141 9.018 9.018 8.410 0.608 25489 2730 1 5 . 1 1 143 143 HIS N N 143 120.218 120.218 113.677 6.541 25489 2731 1 5 . 1 1 143 143 HIS H H 143 8.998 8.998 8.167 0.831 25489 2732 1 5 . 1 1 145 145 ASP N N 145 117.684 117.684 120.024 -2.340 25489 2733 1 5 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.408 0.292 25489 2734 1 5 . 1 1 145 145 ASP H H 145 7.088 7.088 8.349 -1.261 25489 2735 1 5 . 1 1 146 146 SER HA H 146 4.140 4.140 4.150 -0.010 25489 2736 1 5 . 1 1 146 146 SER H H 146 8.220 8.220 7.176 1.044 25489 2737 1 5 . 1 1 147 147 TYR N N 147 120.867 120.867 125.653 -4.786 25489 2738 1 5 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.071 0.717 25489 2739 1 5 . 1 1 147 147 TYR H H 147 7.459 7.459 8.693 -1.234 25489 2740 1 5 . 1 1 149 149 PHE N N 149 120.630 120.630 119.987 0.643 25489 2741 1 5 . 1 1 149 149 PHE H H 149 8.018 8.018 8.724 -0.706 25489 2742 1 5 . 1 1 150 150 ASP N N 150 115.626 115.626 115.061 0.565 25489 2743 1 5 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.380 0.463 25489 2744 1 5 . 1 1 150 150 ASP H H 150 7.543 7.543 7.767 -0.224 25489 2745 1 5 . 1 1 151 151 GLY N N 151 110.700 110.700 106.593 4.107 25489 2746 1 5 . 1 1 151 151 GLY H H 151 9.074 9.074 8.133 0.941 25489 2747 1 5 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.579 -0.553 25489 2748 1 5 . 1 1 153 153 GLY N N 153 118.786 118.786 115.997 2.789 25489 2749 1 5 . 1 1 153 153 GLY H H 153 11.385 11.385 8.021 3.364 25489 2750 1 5 . 1 1 154 154 ASN N N 154 120.613 120.613 125.123 -4.510 25489 2751 1 5 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.428 -0.230 25489 2752 1 5 . 1 1 154 154 ASN H H 154 9.225 9.225 8.507 0.718 25489 2753 1 5 . 1 1 155 155 THR N N 155 118.700 118.700 116.822 1.878 25489 2754 1 5 . 1 1 155 155 THR HA H 155 5.542 5.542 4.057 1.485 25489 2755 1 5 . 1 1 155 155 THR H H 155 9.519 9.519 8.861 0.658 25489 2756 1 5 . 1 1 156 156 LEU N N 156 122.765 122.765 124.503 -1.738 25489 2757 1 5 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.346 0.596 25489 2758 1 5 . 1 1 156 156 LEU H H 156 8.500 8.500 8.900 -0.400 25489 2759 1 5 . 1 1 157 157 ALA N N 157 115.545 115.545 115.172 0.373 25489 2760 1 5 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.949 0.058 25489 2761 1 5 . 1 1 157 157 ALA H H 157 7.545 7.545 7.408 0.137 25489 2762 1 5 . 1 1 158 158 HIS N N 158 111.868 111.868 115.205 -3.337 25489 2763 1 5 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.877 -0.260 25489 2764 1 5 . 1 1 158 158 HIS H H 158 8.774 8.774 8.736 0.038 25489 2765 1 5 . 1 1 159 159 ALA N N 159 118.565 118.565 122.946 -4.381 25489 2766 1 5 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.925 -0.268 25489 2767 1 5 . 1 1 159 159 ALA H H 159 6.114 6.114 8.331 -2.217 25489 2768 1 5 . 1 1 160 160 PHE N N 160 118.042 118.042 120.881 -2.839 25489 2769 1 5 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.534 -0.053 25489 2770 1 5 . 1 1 160 160 PHE H H 160 7.897 7.897 8.469 -0.572 25489 2771 1 5 . 1 1 161 161 ALA N N 161 123.548 123.548 123.526 0.022 25489 2772 1 5 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.551 -0.068 25489 2773 1 5 . 1 1 161 161 ALA H H 161 8.089 8.089 8.569 -0.480 25489 2774 1 5 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.553 -1.683 25489 2775 1 5 . 1 1 163 163 GLY N N 163 107.255 107.255 111.087 -3.832 25489 2776 1 5 . 1 1 163 163 GLY H H 163 5.992 5.992 7.623 -1.631 25489 2777 1 5 . 1 1 165 165 GLY H H 165 9.149 9.149 8.633 0.516 25489 2778 1 5 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.113 0.040 25489 2779 1 5 . 1 1 167 167 GLY N N 167 103.338 103.338 103.759 -0.421 25489 2780 1 5 . 1 1 167 167 GLY H H 167 7.774 7.774 7.377 0.397 25489 2781 1 5 . 1 1 168 168 GLY N N 168 121.031 121.031 111.551 9.480 25489 2782 1 5 . 1 1 168 168 GLY H H 168 7.685 7.685 8.026 -0.341 25489 2783 1 5 . 1 1 169 169 ASP N N 169 123.703 123.703 125.105 -1.402 25489 2784 1 5 . 1 1 169 169 ASP H H 169 8.578 8.578 7.757 0.821 25489 2785 1 5 . 1 1 170 170 ALA N N 170 119.569 119.569 123.906 -4.337 25489 2786 1 5 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.794 -0.090 25489 2787 1 5 . 1 1 170 170 ALA H H 170 8.371 8.371 8.020 0.351 25489 2788 1 5 . 1 1 171 171 HIS N N 171 120.286 120.286 120.959 -0.673 25489 2789 1 5 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.050 0.680 25489 2790 1 5 . 1 1 171 171 HIS H H 171 8.513 8.513 8.629 -0.116 25489 2791 1 5 . 1 1 172 172 PHE N N 172 120.919 120.919 125.053 -4.134 25489 2792 1 5 . 1 1 172 172 PHE H H 172 8.457 8.457 9.084 -0.627 25489 2793 1 5 . 1 1 173 173 ASP N N 173 123.993 123.993 123.825 0.168 25489 2794 1 5 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.955 -1.059 25489 2795 1 5 . 1 1 173 173 ASP H H 173 7.915 7.915 8.843 -0.928 25489 2796 1 5 . 1 1 174 174 GLU N N 174 132.684 132.684 125.969 6.715 25489 2797 1 5 . 1 1 174 174 GLU H H 174 9.461 9.461 8.710 0.751 25489 2798 1 5 . 1 1 175 175 ASP N N 175 117.313 117.313 118.687 -1.374 25489 2799 1 5 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.554 0.243 25489 2800 1 5 . 1 1 175 175 ASP H H 175 8.756 8.756 8.368 0.388 25489 2801 1 5 . 1 1 176 176 GLU N N 176 116.511 116.511 119.060 -2.549 25489 2802 1 5 . 1 1 176 176 GLU H H 176 7.154 7.154 8.199 -1.045 25489 2803 1 5 . 1 1 177 177 ARG N N 177 121.920 121.920 124.600 -2.680 25489 2804 1 5 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.346 0.279 25489 2805 1 5 . 1 1 177 177 ARG H H 177 7.555 7.555 8.140 -0.585 25489 2806 1 5 . 1 1 178 178 TRP N N 178 129.182 129.182 126.994 2.188 25489 2807 1 5 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.419 -0.306 25489 2808 1 5 . 1 1 178 178 TRP H H 178 8.788 8.788 8.138 0.650 25489 2809 1 5 . 1 1 179 179 THR N N 179 112.874 112.874 115.011 -2.137 25489 2810 1 5 . 1 1 179 179 THR HA H 179 5.015 5.015 4.773 0.242 25489 2811 1 5 . 1 1 179 179 THR H H 179 8.946 8.946 8.872 0.074 25489 2812 1 5 . 1 1 180 180 ASP N N 180 121.969 121.969 122.103 -0.134 25489 2813 1 5 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.839 -0.417 25489 2814 1 5 . 1 1 180 180 ASP H H 180 8.478 8.478 8.550 -0.072 25489 2815 1 5 . 1 1 181 181 GLY N N 181 110.059 110.059 108.732 1.327 25489 2816 1 5 . 1 1 181 181 GLY H H 181 8.572 8.572 8.408 0.164 25489 2817 1 5 . 1 1 182 182 SER N N 182 115.564 115.564 116.838 -1.274 25489 2818 1 5 . 1 1 182 182 SER HA H 182 4.599 4.599 4.553 0.046 25489 2819 1 5 . 1 1 182 182 SER H H 182 8.173 8.173 8.065 0.108 25489 2820 1 5 . 1 1 183 183 SER N N 183 117.066 117.066 114.615 2.451 25489 2821 1 5 . 1 1 183 183 SER H H 183 7.819 7.819 8.288 -0.469 25489 2822 1 5 . 1 1 184 184 LEU N N 184 121.954 121.954 122.046 -0.092 25489 2823 1 5 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.312 0.050 25489 2824 1 5 . 1 1 184 184 LEU H H 184 8.104 8.104 7.466 0.638 25489 2825 1 5 . 1 1 185 185 GLY N N 185 108.989 108.989 105.522 3.467 25489 2826 1 5 . 1 1 185 185 GLY H H 185 7.954 7.954 7.376 0.578 25489 2827 1 5 . 1 1 186 186 ILE N N 186 123.084 123.084 121.599 1.485 25489 2828 1 5 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.696 0.083 25489 2829 1 5 . 1 1 186 186 ILE H H 186 8.878 8.878 8.101 0.777 25489 2830 1 5 . 1 1 187 187 ASN N N 187 126.999 126.999 125.719 1.280 25489 2831 1 5 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.710 -0.314 25489 2832 1 5 . 1 1 187 187 ASN H H 187 8.575 8.575 8.037 0.538 25489 2833 1 5 . 1 1 188 188 PHE N N 188 129.819 129.819 128.343 1.476 25489 2834 1 5 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.483 0.108 25489 2835 1 5 . 1 1 188 188 PHE H H 188 9.365 9.365 9.320 0.045 25489 2836 1 5 . 1 1 189 189 LEU N N 189 119.292 119.292 122.008 -2.716 25489 2837 1 5 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.856 -0.023 25489 2838 1 5 . 1 1 189 189 LEU H H 189 8.551 8.551 8.224 0.327 25489 2839 1 5 . 1 1 191 191 ALA N N 191 120.347 120.347 121.046 -0.699 25489 2840 1 5 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.159 0.138 25489 2841 1 5 . 1 1 191 191 ALA H H 191 7.973 7.973 7.600 0.373 25489 2842 1 5 . 1 1 192 192 ALA N N 192 121.365 121.365 120.741 0.624 25489 2843 1 5 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.931 0.086 25489 2844 1 5 . 1 1 192 192 ALA H H 192 9.258 9.258 8.245 1.013 25489 2845 1 5 . 1 1 193 193 THR N N 193 117.027 117.027 112.633 4.394 25489 2846 1 5 . 1 1 193 193 THR HA H 193 3.825 3.825 3.610 0.215 25489 2847 1 5 . 1 1 193 193 THR H H 193 8.209 8.209 7.568 0.641 25489 2848 1 5 . 1 1 194 194 HIS N N 194 120.231 120.231 122.862 -2.631 25489 2849 1 5 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.286 -0.053 25489 2850 1 5 . 1 1 194 194 HIS H H 194 7.805 7.805 7.920 -0.115 25489 2851 1 5 . 1 1 195 195 ALA N N 195 121.346 121.346 119.141 2.205 25489 2852 1 5 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.378 -0.198 25489 2853 1 5 . 1 1 195 195 ALA H H 195 8.693 8.693 7.655 1.038 25489 2854 1 5 . 1 1 196 196 LEU N N 196 114.951 114.951 117.467 -2.516 25489 2855 1 5 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.242 -0.084 25489 2856 1 5 . 1 1 196 196 LEU H H 196 8.714 8.714 7.664 1.050 25489 2857 1 5 . 1 1 197 197 GLY N N 197 107.954 107.954 105.667 2.287 25489 2858 1 5 . 1 1 197 197 GLY H H 197 7.540 7.540 7.518 0.022 25489 2859 1 5 . 1 1 198 198 HIS N N 198 121.996 121.996 119.236 2.760 25489 2860 1 5 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.689 0.120 25489 2861 1 5 . 1 1 198 198 HIS H H 198 7.205 7.205 7.328 -0.123 25489 2862 1 5 . 1 1 199 199 SER N N 199 118.570 118.570 115.354 3.216 25489 2863 1 5 . 1 1 199 199 SER HA H 199 4.448 4.448 4.394 0.054 25489 2864 1 5 . 1 1 199 199 SER H H 199 7.886 7.886 8.402 -0.516 25489 2865 1 5 . 1 1 200 200 LEU N N 200 114.779 114.779 118.194 -3.415 25489 2866 1 5 . 1 1 200 200 LEU H H 200 7.106 7.106 7.516 -0.410 25489 2867 1 5 . 1 1 201 201 GLY N N 201 108.350 108.350 103.727 4.623 25489 2868 1 5 . 1 1 201 201 GLY H H 201 8.213 8.213 7.724 0.489 25489 2869 1 5 . 1 1 202 202 MET N N 202 119.623 119.623 119.920 -0.297 25489 2870 1 5 . 1 1 202 202 MET HA H 202 4.484 4.484 4.128 0.356 25489 2871 1 5 . 1 1 202 202 MET H H 202 8.189 8.189 8.151 0.038 25489 2872 1 5 . 1 1 203 203 GLY N N 203 109.770 109.770 106.029 3.741 25489 2873 1 5 . 1 1 203 203 GLY H H 203 8.413 8.413 8.236 0.177 25489 2874 1 5 . 1 1 204 204 HIS N N 204 115.793 115.793 116.093 -0.300 25489 2875 1 5 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.946 0.428 25489 2876 1 5 . 1 1 204 204 HIS H H 204 8.383 8.383 8.396 -0.013 25489 2877 1 5 . 1 1 205 205 SER N N 205 115.497 115.497 113.960 1.537 25489 2878 1 5 . 1 1 205 205 SER HA H 205 4.721 4.721 4.891 -0.170 25489 2879 1 5 . 1 1 205 205 SER H H 205 7.223 7.223 8.598 -1.375 25489 2880 1 5 . 1 1 206 206 SER N N 206 119.268 119.268 115.453 3.815 25489 2881 1 5 . 1 1 206 206 SER HA H 206 3.721 3.721 4.667 -0.946 25489 2882 1 5 . 1 1 206 206 SER H H 206 8.290 8.290 8.684 -0.394 25489 2883 1 5 . 1 1 207 207 ASP N N 207 126.656 126.656 121.945 4.711 25489 2884 1 5 . 1 1 207 207 ASP H H 207 8.541 8.541 8.204 0.337 25489 2885 1 5 . 1 1 209 209 ASN N N 209 115.911 115.911 115.448 0.463 25489 2886 1 5 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.705 -0.089 25489 2887 1 5 . 1 1 209 209 ASN H H 209 8.374 8.374 7.864 0.510 25489 2888 1 5 . 1 1 210 210 ALA N N 210 124.929 124.929 121.904 3.025 25489 2889 1 5 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.512 -0.358 25489 2890 1 5 . 1 1 210 210 ALA H H 210 8.182 8.182 7.508 0.674 25489 2891 1 5 . 1 1 211 211 VAL N N 211 130.383 130.383 123.100 7.283 25489 2892 1 5 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.572 0.678 25489 2893 1 5 . 1 1 211 211 VAL H H 211 11.554 11.554 9.961 1.593 25489 2894 1 5 . 1 1 212 212 MET N N 212 113.319 113.319 116.442 -3.123 25489 2895 1 5 . 1 1 212 212 MET H H 212 7.741 7.741 8.772 -1.031 25489 2896 1 5 . 1 1 213 213 TYR N N 213 130.006 130.006 123.090 6.916 25489 2897 1 5 . 1 1 213 213 TYR H H 213 7.899 7.899 7.404 0.495 25489 2898 1 5 . 1 1 215 215 THR N N 215 104.747 104.747 108.714 -3.967 25489 2899 1 5 . 1 1 215 215 THR HA H 215 4.404 4.404 4.561 -0.157 25489 2900 1 5 . 1 1 215 215 THR H H 215 6.402 6.402 7.209 -0.807 25489 2901 1 5 . 1 1 216 216 TYR N N 216 124.699 124.699 122.010 2.689 25489 2902 1 5 . 1 1 216 216 TYR H H 216 8.341 8.341 8.744 -0.403 25489 2903 1 5 . 1 1 217 217 GLY N N 217 116.288 116.288 112.388 3.900 25489 2904 1 5 . 1 1 217 217 GLY H H 217 7.685 7.685 7.761 -0.076 25489 2905 1 5 . 1 1 218 218 ASN N N 218 119.920 119.920 116.371 3.549 25489 2906 1 5 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.227 0.393 25489 2907 1 5 . 1 1 218 218 ASN H H 218 8.221 8.221 8.608 -0.387 25489 2908 1 5 . 1 1 219 219 GLY N N 219 109.601 109.601 108.456 1.145 25489 2909 1 5 . 1 1 219 219 GLY H H 219 8.072 8.072 7.423 0.649 25489 2910 1 5 . 1 1 220 220 ASP N N 220 123.006 123.006 122.098 0.908 25489 2911 1 5 . 1 1 220 220 ASP H H 220 8.280 8.280 8.365 -0.085 25489 2912 1 5 . 1 1 222 222 GLN N N 222 116.642 116.642 122.324 -5.682 25489 2913 1 5 . 1 1 222 222 GLN H H 222 8.215 8.215 8.658 -0.443 25489 2914 1 5 . 1 1 223 223 ASN N N 223 118.361 118.361 116.762 1.599 25489 2915 1 5 . 1 1 223 223 ASN H H 223 7.970 7.970 8.050 -0.080 25489 2916 1 5 . 1 1 225 225 LYS N N 225 122.215 122.215 125.795 -3.580 25489 2917 1 5 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.721 -0.305 25489 2918 1 5 . 1 1 225 225 LYS H H 225 7.656 7.656 7.992 -0.336 25489 2919 1 5 . 1 1 226 226 LEU N N 226 119.165 119.165 123.438 -4.273 25489 2920 1 5 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.601 -0.513 25489 2921 1 5 . 1 1 226 226 LEU H H 226 7.984 7.984 8.695 -0.712 25489 2922 1 5 . 1 1 227 227 SER N N 227 120.520 120.520 119.247 1.273 25489 2923 1 5 . 1 1 227 227 SER HA H 227 4.676 4.676 4.669 0.007 25489 2924 1 5 . 1 1 227 227 SER H H 227 9.646 9.646 9.245 0.401 25489 2925 1 5 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.117 0.557 25489 2926 1 5 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.462 -0.088 25489 2927 1 5 . 1 1 229 229 ASP H H 229 8.113 8.113 8.751 -0.638 25489 2928 1 5 . 1 1 230 230 ASP N N 230 119.878 119.878 120.819 -0.941 25489 2929 1 5 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.622 -0.284 25489 2930 1 5 . 1 1 230 230 ASP H H 230 7.397 7.397 7.609 -0.212 25489 2931 1 5 . 1 1 231 231 ILE N N 231 120.389 120.389 122.306 -1.917 25489 2932 1 5 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.567 0.088 25489 2933 1 5 . 1 1 231 231 ILE H H 231 8.100 8.100 8.191 -0.091 25489 2934 1 5 . 1 1 232 232 LYS N N 232 119.084 119.084 119.382 -0.298 25489 2935 1 5 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.954 0.141 25489 2936 1 5 . 1 1 232 232 LYS H H 232 8.581 8.581 7.972 0.609 25489 2937 1 5 . 1 1 233 233 GLY N N 233 106.424 106.424 104.736 1.688 25489 2938 1 5 . 1 1 233 233 GLY H H 233 8.061 8.061 7.863 0.198 25489 2939 1 5 . 1 1 234 234 ILE N N 234 125.166 125.166 122.242 2.924 25489 2940 1 5 . 1 1 234 234 ILE H H 234 8.517 8.517 7.514 1.003 25489 2941 1 5 . 1 1 235 235 GLN N N 235 122.969 122.969 119.119 3.850 25489 2942 1 5 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.101 0.280 25489 2943 1 5 . 1 1 235 235 GLN H H 235 8.291 8.291 8.396 -0.105 25489 2944 1 5 . 1 1 236 236 LYS N N 236 123.770 123.770 119.732 4.038 25489 2945 1 5 . 1 1 236 236 LYS H H 236 8.035 8.035 7.378 0.657 25489 2946 1 5 . 1 1 237 237 LEU N N 237 116.854 116.854 118.568 -1.714 25489 2947 1 5 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.012 -0.053 25489 2948 1 5 . 1 1 237 237 LEU H H 237 6.886 6.886 7.318 -0.432 25489 2949 1 5 . 1 1 238 238 TYR N N 238 112.132 112.132 114.661 -2.529 25489 2950 1 5 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.644 -0.018 25489 2951 1 5 . 1 1 238 238 TYR H H 238 7.459 7.459 7.463 -0.004 25489 2952 1 5 . 1 1 239 239 GLY N N 239 110.898 110.898 109.311 1.587 25489 2953 1 5 . 1 1 239 239 GLY H H 239 8.442 8.442 7.698 0.744 25489 2954 1 5 . 1 1 240 240 LYS N N 240 114.400 114.400 120.666 -6.266 25489 2955 1 5 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.451 0.353 25489 2956 1 5 . 1 1 240 240 LYS H H 240 7.865 7.865 8.307 -0.442 25489 2957 1 5 . 1 1 241 241 ARG N N 241 123.851 123.851 122.705 1.146 25489 2958 1 5 . 1 1 241 241 ARG H H 241 7.760 7.760 8.823 -1.063 25489 2959 1 5 . 1 1 242 242 SER N N 242 135.647 135.647 117.114 18.533 25489 2960 1 5 . 1 1 242 242 SER H H 242 9.158 9.158 8.299 0.859 25489 2961 1 6 . 1 1 3 3 GLU N N 3 121.690 121.690 124.053 -2.363 25489 2962 1 6 . 1 1 3 3 GLU H H 3 8.332 8.332 9.031 -0.699 25489 2963 1 6 . 1 1 4 4 ALA N N 4 124.526 124.526 119.634 4.892 25489 2964 1 6 . 1 1 4 4 ALA H H 4 8.111 8.111 8.006 0.105 25489 2965 1 6 . 1 1 5 5 GLY N N 5 108.229 108.229 104.494 3.735 25489 2966 1 6 . 1 1 5 5 GLY H H 5 8.286 8.286 7.990 0.296 25489 2967 1 6 . 1 1 6 6 GLY N N 6 108.867 108.867 108.366 0.501 25489 2968 1 6 . 1 1 6 6 GLY H H 6 8.239 8.239 8.042 0.197 25489 2969 1 6 . 1 1 7 7 MET N N 7 119.984 119.984 121.565 -1.581 25489 2970 1 6 . 1 1 7 7 MET H H 7 8.044 8.044 7.528 0.516 25489 2971 1 6 . 1 1 8 8 SER N N 8 118.771 118.771 119.024 -0.253 25489 2972 1 6 . 1 1 8 8 SER HA H 8 4.239 4.239 4.690 -0.451 25489 2973 1 6 . 1 1 8 8 SER H H 8 8.738 8.738 8.444 0.294 25489 2974 1 6 . 1 1 9 9 GLU N N 9 122.551 122.551 127.859 -5.308 25489 2975 1 6 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.153 0.099 25489 2976 1 6 . 1 1 9 9 GLU H H 9 8.919 8.919 9.159 -0.240 25489 2977 1 6 . 1 1 10 10 LEU N N 10 120.638 120.638 118.975 1.663 25489 2978 1 6 . 1 1 10 10 LEU H H 10 8.017 8.017 7.493 0.524 25489 2979 1 6 . 1 1 11 11 GLN N N 11 119.889 119.889 119.291 0.598 25489 2980 1 6 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.199 -0.065 25489 2981 1 6 . 1 1 11 11 GLN H H 11 7.807 7.807 7.853 -0.046 25489 2982 1 6 . 1 1 12 12 TRP N N 12 120.951 120.951 121.693 -0.742 25489 2983 1 6 . 1 1 12 12 TRP H H 12 8.202 8.202 8.564 -0.362 25489 2984 1 6 . 1 1 13 13 GLU N N 13 121.870 121.870 119.050 2.820 25489 2985 1 6 . 1 1 13 13 GLU H H 13 8.436 8.436 8.022 0.414 25489 2986 1 6 . 1 1 14 14 GLN N N 14 120.646 120.646 118.682 1.964 25489 2987 1 6 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.878 0.291 25489 2988 1 6 . 1 1 14 14 GLN H H 14 8.159 8.159 7.334 0.825 25489 2989 1 6 . 1 1 15 15 ALA N N 15 123.216 123.216 120.274 2.942 25489 2990 1 6 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.968 0.370 25489 2991 1 6 . 1 1 15 15 ALA H H 15 8.355 8.355 8.220 0.135 25489 2992 1 6 . 1 1 16 16 GLN N N 16 117.766 117.766 117.033 0.733 25489 2993 1 6 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.853 -0.148 25489 2994 1 6 . 1 1 16 16 GLN H H 16 8.440 8.440 7.646 0.794 25489 2995 1 6 . 1 1 17 17 ASP N N 17 120.090 120.090 120.874 -0.784 25489 2996 1 6 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.405 0.058 25489 2997 1 6 . 1 1 17 17 ASP H H 17 7.899 7.899 7.286 0.613 25489 2998 1 6 . 1 1 18 18 TYR N N 18 122.296 122.296 116.139 6.157 25489 2999 1 6 . 1 1 18 18 TYR H H 18 8.264 8.264 8.224 0.040 25489 3000 1 6 . 1 1 19 19 LEU N N 19 117.675 117.675 116.478 1.197 25489 3001 1 6 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.384 -0.259 25489 3002 1 6 . 1 1 19 19 LEU H H 19 8.687 8.687 7.330 1.357 25489 3003 1 6 . 1 1 20 20 LYS N N 20 124.620 124.620 119.596 5.024 25489 3004 1 6 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.034 0.109 25489 3005 1 6 . 1 1 20 20 LYS H H 20 8.790 8.790 7.930 0.860 25489 3006 1 6 . 1 1 21 21 ARG N N 21 117.608 117.608 115.762 1.846 25489 3007 1 6 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.106 -0.409 25489 3008 1 6 . 1 1 21 21 ARG H H 21 7.835 7.835 7.858 -0.023 25489 3009 1 6 . 1 1 22 22 PHE N N 22 112.136 112.136 117.902 -5.766 25489 3010 1 6 . 1 1 22 22 PHE H H 22 8.003 8.003 7.484 0.519 25489 3011 1 6 . 1 1 23 23 TYR N N 23 116.244 116.244 115.930 0.314 25489 3012 1 6 . 1 1 23 23 TYR H H 23 7.678 7.678 8.379 -0.701 25489 3013 1 6 . 1 1 24 24 LEU N N 24 115.582 115.582 114.840 0.742 25489 3014 1 6 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.543 -0.408 25489 3015 1 6 . 1 1 24 24 LEU H H 24 7.238 7.238 7.647 -0.409 25489 3016 1 6 . 1 1 25 25 TYR N N 25 119.996 119.996 124.257 -4.261 25489 3017 1 6 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.428 -0.023 25489 3018 1 6 . 1 1 25 25 TYR H H 25 7.826 7.826 8.542 -0.716 25489 3019 1 6 . 1 1 26 26 ASP N N 26 129.292 129.292 127.099 2.193 25489 3020 1 6 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.534 -0.073 25489 3021 1 6 . 1 1 26 26 ASP H H 26 8.121 8.121 8.143 -0.022 25489 3022 1 6 . 1 1 28 28 GLU N N 28 122.115 122.115 121.417 0.698 25489 3023 1 6 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.308 -0.027 25489 3024 1 6 . 1 1 28 28 GLU H H 28 8.262 8.262 7.853 0.409 25489 3025 1 6 . 1 1 29 29 THR N N 29 114.171 114.171 114.953 -0.782 25489 3026 1 6 . 1 1 29 29 THR HA H 29 4.222 4.222 4.097 0.125 25489 3027 1 6 . 1 1 29 29 THR H H 29 7.496 7.496 7.815 -0.319 25489 3028 1 6 . 1 1 30 30 LYS N N 30 123.019 123.019 122.177 0.842 25489 3029 1 6 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.149 0.069 25489 3030 1 6 . 1 1 30 30 LYS H H 30 8.154 8.154 7.668 0.486 25489 3031 1 6 . 1 1 32 32 ALA N N 32 126.481 126.481 128.464 -1.983 25489 3032 1 6 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.171 0.079 25489 3033 1 6 . 1 1 32 32 ALA H H 32 8.424 8.424 8.881 -0.457 25489 3034 1 6 . 1 1 33 33 ASN N N 33 116.834 116.834 114.304 2.530 25489 3035 1 6 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.635 0.063 25489 3036 1 6 . 1 1 33 33 ASN H H 33 8.312 8.312 8.662 -0.350 25489 3037 1 6 . 1 1 34 34 SER N N 34 116.960 116.960 117.542 -0.582 25489 3038 1 6 . 1 1 34 34 SER HA H 34 4.522 4.522 4.271 0.251 25489 3039 1 6 . 1 1 34 34 SER H H 34 8.112 8.112 7.692 0.420 25489 3040 1 6 . 1 1 35 35 LEU N N 35 125.335 125.335 122.129 3.206 25489 3041 1 6 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.954 -0.403 25489 3042 1 6 . 1 1 35 35 LEU H H 35 8.324 8.324 8.851 -0.527 25489 3043 1 6 . 1 1 36 36 GLU N N 36 119.302 119.302 118.969 0.333 25489 3044 1 6 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.159 -0.216 25489 3045 1 6 . 1 1 36 36 GLU H H 36 8.239 8.239 7.964 0.275 25489 3046 1 6 . 1 1 37 37 ALA N N 37 120.683 120.683 121.890 -1.207 25489 3047 1 6 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.188 -0.141 25489 3048 1 6 . 1 1 37 37 ALA H H 37 7.898 7.898 8.049 -0.151 25489 3049 1 6 . 1 1 38 38 LYS N N 38 119.470 119.470 119.470 0.000 25489 3050 1 6 . 1 1 38 38 LYS HA H 38 4.333 4.333 3.996 0.337 25489 3051 1 6 . 1 1 38 38 LYS H H 38 8.217 8.217 7.841 0.376 25489 3052 1 6 . 1 1 39 39 LEU N N 39 122.664 122.664 119.887 2.777 25489 3053 1 6 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.071 -0.157 25489 3054 1 6 . 1 1 39 39 LEU H H 39 8.658 8.658 7.887 0.771 25489 3055 1 6 . 1 1 40 40 LYS N N 40 118.301 118.301 119.598 -1.297 25489 3056 1 6 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.858 0.815 25489 3057 1 6 . 1 1 40 40 LYS H H 40 8.221 8.221 7.992 0.229 25489 3058 1 6 . 1 1 41 41 GLU N N 41 121.462 121.462 119.154 2.308 25489 3059 1 6 . 1 1 41 41 GLU HA H 41 4.068 4.068 3.993 0.075 25489 3060 1 6 . 1 1 41 41 GLU H H 41 7.736 7.736 7.805 -0.069 25489 3061 1 6 . 1 1 42 42 MET N N 42 123.761 123.761 120.063 3.698 25489 3062 1 6 . 1 1 42 42 MET HA H 42 4.046 4.046 4.237 -0.191 25489 3063 1 6 . 1 1 42 42 MET H H 42 7.672 7.672 7.641 0.031 25489 3064 1 6 . 1 1 43 43 GLN N N 43 120.035 120.035 117.741 2.294 25489 3065 1 6 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.164 -0.368 25489 3066 1 6 . 1 1 43 43 GLN H H 43 8.904 8.904 8.800 0.104 25489 3067 1 6 . 1 1 44 44 LYS N N 44 119.131 119.131 121.995 -2.864 25489 3068 1 6 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.220 -0.168 25489 3069 1 6 . 1 1 44 44 LYS H H 44 8.511 8.511 8.129 0.382 25489 3070 1 6 . 1 1 45 45 PHE N N 45 123.544 123.544 121.028 2.516 25489 3071 1 6 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.230 -0.380 25489 3072 1 6 . 1 1 45 45 PHE H H 45 8.438 8.438 8.465 -0.027 25489 3073 1 6 . 1 1 46 46 PHE N N 46 112.789 112.789 116.066 -3.277 25489 3074 1 6 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.698 -0.116 25489 3075 1 6 . 1 1 46 46 PHE H H 46 8.273 8.273 8.442 -0.169 25489 3076 1 6 . 1 1 47 47 GLY N N 47 110.408 110.408 106.951 3.457 25489 3077 1 6 . 1 1 47 47 GLY H H 47 7.922 7.922 7.929 -0.007 25489 3078 1 6 . 1 1 48 48 LEU N N 48 121.853 121.853 123.280 -1.427 25489 3079 1 6 . 1 1 48 48 LEU H H 48 8.747 8.747 8.100 0.647 25489 3080 1 6 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.384 -0.183 25489 3081 1 6 . 1 1 50 50 ILE N N 50 127.000 127.000 121.278 5.722 25489 3082 1 6 . 1 1 50 50 ILE H H 50 8.529 8.529 7.774 0.755 25489 3083 1 6 . 1 1 51 51 THR N N 51 116.519 116.519 114.946 1.573 25489 3084 1 6 . 1 1 51 51 THR H H 51 7.980 7.980 8.066 -0.086 25489 3085 1 6 . 1 1 52 52 GLY N N 52 112.725 112.725 113.897 -1.172 25489 3086 1 6 . 1 1 52 52 GLY H H 52 9.483 9.483 9.815 -0.332 25489 3087 1 6 . 1 1 53 53 MET N N 53 116.735 116.735 119.005 -2.270 25489 3088 1 6 . 1 1 53 53 MET HA H 53 4.044 4.044 4.787 -0.743 25489 3089 1 6 . 1 1 53 53 MET H H 53 7.969 7.969 7.999 -0.030 25489 3090 1 6 . 1 1 54 54 LEU N N 54 122.602 122.602 122.284 0.318 25489 3091 1 6 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.744 -1.038 25489 3092 1 6 . 1 1 54 54 LEU H H 54 7.926 7.926 8.740 -0.814 25489 3093 1 6 . 1 1 55 55 ASN N N 55 115.755 115.755 115.891 -0.136 25489 3094 1 6 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.843 -0.103 25489 3095 1 6 . 1 1 55 55 ASN H H 55 6.555 6.555 8.089 -1.534 25489 3096 1 6 . 1 1 56 56 SER N N 56 121.450 121.450 114.858 6.592 25489 3097 1 6 . 1 1 56 56 SER HA H 56 4.662 4.662 4.635 0.027 25489 3098 1 6 . 1 1 56 56 SER H H 56 8.205 8.205 7.921 0.284 25489 3099 1 6 . 1 1 57 57 ARG N N 57 123.219 123.219 121.327 1.892 25489 3100 1 6 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.882 0.324 25489 3101 1 6 . 1 1 57 57 ARG H H 57 7.883 7.883 8.596 -0.713 25489 3102 1 6 . 1 1 58 58 VAL N N 58 118.843 118.843 116.241 2.602 25489 3103 1 6 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.400 -0.100 25489 3104 1 6 . 1 1 58 58 VAL H H 58 7.594 7.594 8.200 -0.606 25489 3105 1 6 . 1 1 59 59 ILE N N 59 119.212 119.212 115.984 3.228 25489 3106 1 6 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.966 -0.497 25489 3107 1 6 . 1 1 59 59 ILE H H 59 7.326 7.326 7.475 -0.149 25489 3108 1 6 . 1 1 60 60 GLU N N 60 119.544 119.544 120.808 -1.264 25489 3109 1 6 . 1 1 60 60 GLU H H 60 7.880 7.880 8.004 -0.124 25489 3110 1 6 . 1 1 61 61 ILE N N 61 118.812 118.812 114.411 4.401 25489 3111 1 6 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.923 -0.481 25489 3112 1 6 . 1 1 61 61 ILE H H 61 7.217 7.217 7.204 0.013 25489 3113 1 6 . 1 1 62 62 MET N N 62 120.202 120.202 116.255 3.947 25489 3114 1 6 . 1 1 62 62 MET HA H 62 3.419 3.419 4.089 -0.670 25489 3115 1 6 . 1 1 62 62 MET H H 62 7.820 7.820 7.210 0.610 25489 3116 1 6 . 1 1 63 63 GLN N N 63 116.274 116.274 116.117 0.157 25489 3117 1 6 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.247 -0.006 25489 3118 1 6 . 1 1 63 63 GLN H H 63 7.442 7.442 7.380 0.062 25489 3119 1 6 . 1 1 64 64 LYS N N 64 121.450 121.450 118.572 2.878 25489 3120 1 6 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.606 -0.107 25489 3121 1 6 . 1 1 64 64 LYS H H 64 7.474 7.474 7.233 0.241 25489 3122 1 6 . 1 1 66 66 ARG N N 66 113.173 113.173 119.314 -6.141 25489 3123 1 6 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.702 -0.263 25489 3124 1 6 . 1 1 66 66 ARG H H 66 8.151 8.151 8.044 0.107 25489 3125 1 6 . 1 1 67 67 CYS N N 67 121.794 121.794 120.820 0.974 25489 3126 1 6 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.484 -0.064 25489 3127 1 6 . 1 1 67 67 CYS H H 67 7.709 7.709 8.933 -1.224 25489 3128 1 6 . 1 1 68 68 GLY N N 68 116.255 116.255 116.454 -0.199 25489 3129 1 6 . 1 1 68 68 GLY H H 68 9.707 9.707 8.967 0.740 25489 3130 1 6 . 1 1 69 69 VAL N N 69 126.541 126.541 114.525 12.016 25489 3131 1 6 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.652 -0.845 25489 3132 1 6 . 1 1 69 69 VAL H H 69 9.118 9.118 7.017 2.101 25489 3133 1 6 . 1 1 71 71 ASP N N 71 119.114 119.114 118.525 0.589 25489 3134 1 6 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.258 0.225 25489 3135 1 6 . 1 1 71 71 ASP H H 71 8.067 8.067 8.323 -0.256 25489 3136 1 6 . 1 1 72 72 VAL N N 72 112.988 112.988 116.876 -3.888 25489 3137 1 6 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.663 0.618 25489 3138 1 6 . 1 1 72 72 VAL H H 72 6.438 6.438 7.489 -1.050 25489 3139 1 6 . 1 1 73 73 ALA N N 73 125.902 125.902 128.837 -2.935 25489 3140 1 6 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.433 -0.166 25489 3141 1 6 . 1 1 73 73 ALA H H 73 8.171 8.171 7.010 1.161 25489 3142 1 6 . 1 1 74 74 GLU N N 74 120.835 120.835 125.864 -5.029 25489 3143 1 6 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.131 -0.048 25489 3144 1 6 . 1 1 74 74 GLU H H 74 8.385 8.385 8.613 -0.228 25489 3145 1 6 . 1 1 75 75 TYR N N 75 121.820 121.820 120.982 0.838 25489 3146 1 6 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.830 -0.436 25489 3147 1 6 . 1 1 75 75 TYR H H 75 8.102 8.102 7.690 0.412 25489 3148 1 6 . 1 1 76 76 SER N N 76 117.881 117.881 119.191 -1.310 25489 3149 1 6 . 1 1 76 76 SER H H 76 7.718 7.718 8.751 -1.033 25489 3150 1 6 . 1 1 77 77 LEU N N 77 123.835 123.835 119.523 4.312 25489 3151 1 6 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.081 0.011 25489 3152 1 6 . 1 1 77 77 LEU H H 77 8.033 8.033 8.571 -0.538 25489 3153 1 6 . 1 1 78 78 PHE N N 78 118.893 118.893 124.774 -5.881 25489 3154 1 6 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.482 0.363 25489 3155 1 6 . 1 1 78 78 PHE H H 78 7.822 7.822 7.623 0.199 25489 3156 1 6 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.316 0.015 25489 3157 1 6 . 1 1 80 80 ASN N N 80 118.184 118.184 121.804 -3.620 25489 3158 1 6 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.887 -0.207 25489 3159 1 6 . 1 1 80 80 ASN H H 80 8.106 8.106 8.486 -0.380 25489 3160 1 6 . 1 1 81 81 SER HA H 81 4.636 4.636 4.872 -0.236 25489 3161 1 6 . 1 1 83 83 LYS N N 83 114.696 114.696 116.058 -1.362 25489 3162 1 6 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.684 -0.461 25489 3163 1 6 . 1 1 83 83 LYS H H 83 7.361 7.361 7.488 -0.127 25489 3164 1 6 . 1 1 84 84 TRP N N 84 122.459 122.459 122.548 -0.089 25489 3165 1 6 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.669 -0.666 25489 3166 1 6 . 1 1 84 84 TRP H H 84 8.020 8.020 8.480 -0.460 25489 3167 1 6 . 1 1 85 85 THR N N 85 113.482 113.482 118.948 -5.466 25489 3168 1 6 . 1 1 85 85 THR HA H 85 4.586 4.586 4.380 0.206 25489 3169 1 6 . 1 1 85 85 THR H H 85 8.833 8.833 7.865 0.968 25489 3170 1 6 . 1 1 86 86 SER N N 86 117.316 117.316 116.543 0.773 25489 3171 1 6 . 1 1 86 86 SER HA H 86 4.665 4.665 4.535 0.130 25489 3172 1 6 . 1 1 86 86 SER H H 86 7.724 7.724 7.087 0.637 25489 3173 1 6 . 1 1 87 87 LYS N N 87 120.411 120.411 119.803 0.608 25489 3174 1 6 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.347 -0.208 25489 3175 1 6 . 1 1 87 87 LYS H H 87 8.312 8.312 8.784 -0.472 25489 3176 1 6 . 1 1 88 88 VAL N N 88 117.674 117.674 112.254 5.420 25489 3177 1 6 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.418 0.233 25489 3178 1 6 . 1 1 88 88 VAL H H 88 7.425 7.425 7.496 -0.071 25489 3179 1 6 . 1 1 89 89 VAL N N 89 131.493 131.493 125.686 5.807 25489 3180 1 6 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.676 -0.535 25489 3181 1 6 . 1 1 89 89 VAL H H 89 8.574 8.574 8.808 -0.234 25489 3182 1 6 . 1 1 90 90 THR N N 90 118.245 118.245 119.681 -1.436 25489 3183 1 6 . 1 1 90 90 THR HA H 90 5.627 5.627 5.439 0.188 25489 3184 1 6 . 1 1 90 90 THR H H 90 9.021 9.021 8.676 0.345 25489 3185 1 6 . 1 1 91 91 TYR N N 91 118.267 118.267 119.351 -1.084 25489 3186 1 6 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.342 0.332 25489 3187 1 6 . 1 1 91 91 TYR H H 91 8.555 8.555 8.718 -0.163 25489 3188 1 6 . 1 1 92 92 ARG N N 92 120.260 120.260 123.314 -3.054 25489 3189 1 6 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.854 -0.208 25489 3190 1 6 . 1 1 92 92 ARG H H 92 8.513 8.513 8.761 -0.248 25489 3191 1 6 . 1 1 93 93 ILE N N 93 128.361 128.361 128.414 -0.053 25489 3192 1 6 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.679 -0.060 25489 3193 1 6 . 1 1 93 93 ILE H H 93 8.878 8.878 9.031 -0.153 25489 3194 1 6 . 1 1 94 94 VAL N N 94 126.374 126.374 123.127 3.247 25489 3195 1 6 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.250 -0.250 25489 3196 1 6 . 1 1 94 94 VAL H H 94 9.492 9.492 8.240 1.252 25489 3197 1 6 . 1 1 95 95 SER N N 95 113.303 113.303 113.507 -0.204 25489 3198 1 6 . 1 1 95 95 SER HA H 95 4.705 4.705 4.643 0.062 25489 3199 1 6 . 1 1 95 95 SER H H 95 7.431 7.431 7.440 -0.009 25489 3200 1 6 . 1 1 96 96 TYR N N 96 117.054 117.054 118.947 -1.893 25489 3201 1 6 . 1 1 96 96 TYR H H 96 8.255 8.255 7.990 0.265 25489 3202 1 6 . 1 1 98 98 ARG N N 98 128.445 128.445 127.082 1.363 25489 3203 1 6 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.317 0.021 25489 3204 1 6 . 1 1 98 98 ARG H H 98 8.964 8.964 8.816 0.148 25489 3205 1 6 . 1 1 99 99 ASP N N 99 120.412 120.412 118.469 1.943 25489 3206 1 6 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.568 -0.233 25489 3207 1 6 . 1 1 99 99 ASP H H 99 8.695 8.695 7.632 1.063 25489 3208 1 6 . 1 1 100 100 LEU N N 100 116.851 116.851 118.468 -1.617 25489 3209 1 6 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.549 0.384 25489 3210 1 6 . 1 1 100 100 LEU H H 100 6.902 6.902 7.128 -0.226 25489 3211 1 6 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.095 0.072 25489 3212 1 6 . 1 1 103 103 ILE N N 103 115.469 115.469 116.294 -0.825 25489 3213 1 6 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.662 0.511 25489 3214 1 6 . 1 1 103 103 ILE H H 103 8.296 8.296 8.119 0.177 25489 3215 1 6 . 1 1 104 104 THR N N 104 119.413 119.413 116.047 3.366 25489 3216 1 6 . 1 1 104 104 THR HA H 104 4.019 4.019 4.134 -0.115 25489 3217 1 6 . 1 1 104 104 THR H H 104 6.915 6.915 8.058 -1.143 25489 3218 1 6 . 1 1 105 105 VAL N N 105 123.232 123.232 122.212 1.020 25489 3219 1 6 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.550 -0.136 25489 3220 1 6 . 1 1 105 105 VAL H H 105 7.379 7.379 7.356 0.023 25489 3221 1 6 . 1 1 106 106 ASP N N 106 120.160 120.160 120.108 0.052 25489 3222 1 6 . 1 1 106 106 ASP H H 106 8.615 8.615 8.203 0.412 25489 3223 1 6 . 1 1 107 107 ARG N N 107 121.041 121.041 119.312 1.729 25489 3224 1 6 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.028 0.062 25489 3225 1 6 . 1 1 107 107 ARG H H 107 8.372 8.372 8.054 0.318 25489 3226 1 6 . 1 1 108 108 LEU N N 108 121.644 121.644 120.072 1.572 25489 3227 1 6 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.053 0.200 25489 3228 1 6 . 1 1 108 108 LEU H H 108 8.768 8.768 8.411 0.357 25489 3229 1 6 . 1 1 109 109 VAL N N 109 120.347 120.347 120.472 -0.125 25489 3230 1 6 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.216 0.155 25489 3231 1 6 . 1 1 109 109 VAL H H 109 8.762 8.762 8.814 -0.052 25489 3232 1 6 . 1 1 110 110 SER N N 110 112.949 112.949 114.210 -1.261 25489 3233 1 6 . 1 1 110 110 SER HA H 110 4.270 4.270 3.822 0.448 25489 3234 1 6 . 1 1 110 110 SER H H 110 7.605 7.605 7.881 -0.276 25489 3235 1 6 . 1 1 111 111 LYS N N 111 122.434 122.434 121.674 0.760 25489 3236 1 6 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.937 0.105 25489 3237 1 6 . 1 1 111 111 LYS H H 111 8.146 8.146 8.400 -0.254 25489 3238 1 6 . 1 1 112 112 ALA N N 112 124.099 124.099 121.147 2.952 25489 3239 1 6 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.603 0.474 25489 3240 1 6 . 1 1 112 112 ALA H H 112 8.270 8.270 7.351 0.919 25489 3241 1 6 . 1 1 113 113 LEU N N 113 116.251 116.251 118.360 -2.109 25489 3242 1 6 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.532 0.190 25489 3243 1 6 . 1 1 113 113 LEU H H 113 8.019 8.019 7.806 0.213 25489 3244 1 6 . 1 1 114 114 ASN N N 114 116.659 116.659 116.141 0.518 25489 3245 1 6 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.529 0.000 25489 3246 1 6 . 1 1 114 114 ASN H H 114 8.197 8.197 8.029 0.168 25489 3247 1 6 . 1 1 115 115 MET N N 115 122.118 122.118 120.015 2.103 25489 3248 1 6 . 1 1 115 115 MET HA H 115 4.013 4.013 4.125 -0.112 25489 3249 1 6 . 1 1 115 115 MET H H 115 7.918 7.918 7.223 0.695 25489 3250 1 6 . 1 1 116 116 TRP N N 116 117.117 117.117 117.581 -0.464 25489 3251 1 6 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.549 -0.039 25489 3252 1 6 . 1 1 116 116 TRP H H 116 6.773 6.773 7.985 -1.212 25489 3253 1 6 . 1 1 117 117 GLY N N 117 104.656 104.656 107.399 -2.743 25489 3254 1 6 . 1 1 117 117 GLY H H 117 9.305 9.305 7.870 1.435 25489 3255 1 6 . 1 1 118 118 LYS N N 118 118.567 118.567 120.482 -1.915 25489 3256 1 6 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.234 -0.057 25489 3257 1 6 . 1 1 118 118 LYS H H 118 7.947 7.947 7.500 0.447 25489 3258 1 6 . 1 1 119 119 GLU N N 119 113.899 113.899 116.129 -2.230 25489 3259 1 6 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.331 0.477 25489 3260 1 6 . 1 1 119 119 GLU H H 119 7.773 7.773 8.373 -0.600 25489 3261 1 6 . 1 1 120 120 ILE N N 120 111.215 111.215 119.234 -8.019 25489 3262 1 6 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.634 0.687 25489 3263 1 6 . 1 1 120 120 ILE H H 120 7.528 7.528 7.720 -0.192 25489 3264 1 6 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.501 0.120 25489 3265 1 6 . 1 1 122 122 LEU N N 122 121.481 121.481 123.248 -1.767 25489 3266 1 6 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.267 0.025 25489 3267 1 6 . 1 1 122 122 LEU H H 122 6.815 6.815 7.939 -1.124 25489 3268 1 6 . 1 1 123 123 HIS N N 123 120.769 120.769 126.981 -6.212 25489 3269 1 6 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.291 0.301 25489 3270 1 6 . 1 1 123 123 HIS H H 123 7.709 7.709 8.423 -0.714 25489 3271 1 6 . 1 1 124 124 PHE N N 124 120.530 120.530 120.168 0.362 25489 3272 1 6 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.793 1.019 25489 3273 1 6 . 1 1 124 124 PHE H H 124 8.306 8.306 7.210 1.096 25489 3274 1 6 . 1 1 125 125 ARG N N 125 123.891 123.891 123.882 0.009 25489 3275 1 6 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.689 -0.036 25489 3276 1 6 . 1 1 125 125 ARG H H 125 8.408 8.408 8.458 -0.050 25489 3277 1 6 . 1 1 126 126 LYS N N 126 130.178 130.178 126.744 3.434 25489 3278 1 6 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.278 0.083 25489 3279 1 6 . 1 1 126 126 LYS H H 126 8.468 8.468 8.608 -0.140 25489 3280 1 6 . 1 1 127 127 VAL N N 127 125.180 125.180 126.832 -1.652 25489 3281 1 6 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.310 0.198 25489 3282 1 6 . 1 1 127 127 VAL H H 127 8.679 8.679 7.774 0.905 25489 3283 1 6 . 1 1 128 128 VAL N N 128 117.584 117.584 116.420 1.164 25489 3284 1 6 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.479 -0.193 25489 3285 1 6 . 1 1 128 128 VAL H H 128 8.469 8.469 8.224 0.245 25489 3286 1 6 . 1 1 129 129 TRP N N 129 119.805 119.805 120.425 -0.620 25489 3287 1 6 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.746 -0.060 25489 3288 1 6 . 1 1 129 129 TRP H H 129 7.447 7.447 7.785 -0.338 25489 3289 1 6 . 1 1 130 130 GLY N N 130 109.844 109.844 112.950 -3.106 25489 3290 1 6 . 1 1 130 130 GLY H H 130 8.072 8.072 7.438 0.634 25489 3291 1 6 . 1 1 131 131 THR N N 131 116.125 116.125 113.464 2.661 25489 3292 1 6 . 1 1 131 131 THR HA H 131 4.123 4.123 4.324 -0.201 25489 3293 1 6 . 1 1 131 131 THR H H 131 8.196 8.196 8.088 0.108 25489 3294 1 6 . 1 1 132 132 ALA N N 132 129.613 129.613 129.359 0.254 25489 3295 1 6 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.494 0.017 25489 3296 1 6 . 1 1 132 132 ALA H H 132 7.919 7.919 8.358 -0.439 25489 3297 1 6 . 1 1 133 133 ASP N N 133 123.004 123.004 123.269 -0.265 25489 3298 1 6 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.770 -0.328 25489 3299 1 6 . 1 1 133 133 ASP H H 133 8.248 8.248 8.783 -0.535 25489 3300 1 6 . 1 1 134 134 ILE N N 134 125.478 125.478 122.835 2.643 25489 3301 1 6 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.130 -0.037 25489 3302 1 6 . 1 1 134 134 ILE H H 134 8.804 8.804 8.034 0.770 25489 3303 1 6 . 1 1 135 135 MET N N 135 127.471 127.471 127.419 0.052 25489 3304 1 6 . 1 1 135 135 MET HA H 135 5.194 5.194 5.274 -0.080 25489 3305 1 6 . 1 1 135 135 MET H H 135 7.437 7.437 9.105 -1.668 25489 3306 1 6 . 1 1 136 136 ILE N N 136 125.040 125.040 125.322 -0.282 25489 3307 1 6 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.964 0.613 25489 3308 1 6 . 1 1 136 136 ILE H H 136 9.085 9.085 8.042 1.043 25489 3309 1 6 . 1 1 137 137 GLY N N 137 112.059 112.059 114.123 -2.064 25489 3310 1 6 . 1 1 137 137 GLY H H 137 8.568 8.568 8.332 0.236 25489 3311 1 6 . 1 1 138 138 PHE N N 138 119.447 119.447 120.873 -1.426 25489 3312 1 6 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.679 -0.225 25489 3313 1 6 . 1 1 138 138 PHE H H 138 7.861 7.861 8.443 -0.582 25489 3314 1 6 . 1 1 139 139 ALA N N 139 123.657 123.657 125.919 -2.262 25489 3315 1 6 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.766 -0.031 25489 3316 1 6 . 1 1 139 139 ALA H H 139 8.939 8.939 9.118 -0.179 25489 3317 1 6 . 1 1 140 140 ARG N N 140 118.688 118.688 120.367 -1.679 25489 3318 1 6 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.527 0.547 25489 3319 1 6 . 1 1 140 140 ARG H H 140 8.563 8.563 8.630 -0.067 25489 3320 1 6 . 1 1 141 141 GLY N N 141 108.964 108.964 107.140 1.824 25489 3321 1 6 . 1 1 141 141 GLY H H 141 9.018 9.018 8.256 0.762 25489 3322 1 6 . 1 1 143 143 HIS N N 143 120.218 120.218 115.177 5.041 25489 3323 1 6 . 1 1 143 143 HIS H H 143 8.998 8.998 7.963 1.035 25489 3324 1 6 . 1 1 145 145 ASP N N 145 117.684 117.684 119.992 -2.308 25489 3325 1 6 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.365 0.335 25489 3326 1 6 . 1 1 145 145 ASP H H 145 7.088 7.088 8.248 -1.160 25489 3327 1 6 . 1 1 146 146 SER HA H 146 4.140 4.140 4.180 -0.040 25489 3328 1 6 . 1 1 146 146 SER H H 146 8.220 8.220 7.088 1.132 25489 3329 1 6 . 1 1 147 147 TYR N N 147 120.867 120.867 126.098 -5.231 25489 3330 1 6 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.114 0.674 25489 3331 1 6 . 1 1 147 147 TYR H H 147 7.459 7.459 8.656 -1.197 25489 3332 1 6 . 1 1 149 149 PHE N N 149 120.630 120.630 120.220 0.410 25489 3333 1 6 . 1 1 149 149 PHE H H 149 8.018 8.018 8.725 -0.707 25489 3334 1 6 . 1 1 150 150 ASP N N 150 115.626 115.626 115.843 -0.217 25489 3335 1 6 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.387 0.456 25489 3336 1 6 . 1 1 150 150 ASP H H 150 7.543 7.543 7.919 -0.376 25489 3337 1 6 . 1 1 151 151 GLY N N 151 110.700 110.700 106.497 4.203 25489 3338 1 6 . 1 1 151 151 GLY H H 151 9.074 9.074 8.439 0.635 25489 3339 1 6 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.686 -0.660 25489 3340 1 6 . 1 1 153 153 GLY N N 153 118.786 118.786 116.242 2.544 25489 3341 1 6 . 1 1 153 153 GLY H H 153 11.385 11.385 8.163 3.222 25489 3342 1 6 . 1 1 154 154 ASN N N 154 120.613 120.613 124.479 -3.866 25489 3343 1 6 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.407 -0.209 25489 3344 1 6 . 1 1 154 154 ASN H H 154 9.225 9.225 8.552 0.673 25489 3345 1 6 . 1 1 155 155 THR N N 155 118.700 118.700 116.789 1.911 25489 3346 1 6 . 1 1 155 155 THR HA H 155 5.542 5.542 4.072 1.470 25489 3347 1 6 . 1 1 155 155 THR H H 155 9.519 9.519 8.802 0.717 25489 3348 1 6 . 1 1 156 156 LEU N N 156 122.765 122.765 123.237 -0.472 25489 3349 1 6 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.769 0.173 25489 3350 1 6 . 1 1 156 156 LEU H H 156 8.500 8.500 8.576 -0.076 25489 3351 1 6 . 1 1 157 157 ALA N N 157 115.545 115.545 117.939 -2.394 25489 3352 1 6 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.967 0.040 25489 3353 1 6 . 1 1 157 157 ALA H H 157 7.545 7.545 7.416 0.129 25489 3354 1 6 . 1 1 158 158 HIS N N 158 111.868 111.868 115.898 -4.030 25489 3355 1 6 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.069 -0.452 25489 3356 1 6 . 1 1 158 158 HIS H H 158 8.774 8.774 8.797 -0.023 25489 3357 1 6 . 1 1 159 159 ALA N N 159 118.565 118.565 121.546 -2.981 25489 3358 1 6 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.548 0.109 25489 3359 1 6 . 1 1 159 159 ALA H H 159 6.114 6.114 8.160 -2.046 25489 3360 1 6 . 1 1 160 160 PHE N N 160 118.042 118.042 120.338 -2.296 25489 3361 1 6 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.717 -0.236 25489 3362 1 6 . 1 1 160 160 PHE H H 160 7.897 7.897 7.916 -0.019 25489 3363 1 6 . 1 1 161 161 ALA N N 161 123.548 123.548 122.863 0.685 25489 3364 1 6 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.323 0.160 25489 3365 1 6 . 1 1 161 161 ALA H H 161 8.089 8.089 8.570 -0.481 25489 3366 1 6 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.519 -1.648 25489 3367 1 6 . 1 1 163 163 GLY N N 163 107.255 107.255 110.242 -2.987 25489 3368 1 6 . 1 1 163 163 GLY H H 163 5.992 5.992 7.700 -1.708 25489 3369 1 6 . 1 1 165 165 GLY H H 165 9.149 9.149 8.695 0.454 25489 3370 1 6 . 1 1 166 166 LEU HA H 166 4.153 4.153 3.960 0.193 25489 3371 1 6 . 1 1 167 167 GLY N N 167 103.338 103.338 102.896 0.442 25489 3372 1 6 . 1 1 167 167 GLY H H 167 7.774 7.774 7.154 0.620 25489 3373 1 6 . 1 1 168 168 GLY N N 168 121.031 121.031 107.267 13.764 25489 3374 1 6 . 1 1 168 168 GLY H H 168 7.685 7.685 8.126 -0.441 25489 3375 1 6 . 1 1 169 169 ASP N N 169 123.703 123.703 121.354 2.349 25489 3376 1 6 . 1 1 169 169 ASP H H 169 8.578 8.578 7.751 0.827 25489 3377 1 6 . 1 1 170 170 ALA N N 170 119.569 119.569 122.064 -2.495 25489 3378 1 6 . 1 1 170 170 ALA HA H 170 4.704 4.704 5.018 -0.314 25489 3379 1 6 . 1 1 170 170 ALA H H 170 8.371 8.371 8.088 0.283 25489 3380 1 6 . 1 1 171 171 HIS N N 171 120.286 120.286 122.185 -1.899 25489 3381 1 6 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.176 0.554 25489 3382 1 6 . 1 1 171 171 HIS H H 171 8.513 8.513 8.278 0.235 25489 3383 1 6 . 1 1 172 172 PHE N N 172 120.919 120.919 124.488 -3.569 25489 3384 1 6 . 1 1 172 172 PHE H H 172 8.457 8.457 9.212 -0.755 25489 3385 1 6 . 1 1 173 173 ASP N N 173 123.993 123.993 121.925 2.068 25489 3386 1 6 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.209 -1.313 25489 3387 1 6 . 1 1 173 173 ASP H H 173 7.915 7.915 8.860 -0.945 25489 3388 1 6 . 1 1 174 174 GLU N N 174 132.684 132.684 125.080 7.604 25489 3389 1 6 . 1 1 174 174 GLU H H 174 9.461 9.461 8.571 0.890 25489 3390 1 6 . 1 1 175 175 ASP N N 175 117.313 117.313 118.373 -1.060 25489 3391 1 6 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.573 0.224 25489 3392 1 6 . 1 1 175 175 ASP H H 175 8.756 8.756 8.433 0.323 25489 3393 1 6 . 1 1 176 176 GLU N N 176 116.511 116.511 120.064 -3.553 25489 3394 1 6 . 1 1 176 176 GLU H H 176 7.154 7.154 8.050 -0.896 25489 3395 1 6 . 1 1 177 177 ARG N N 177 121.920 121.920 122.501 -0.581 25489 3396 1 6 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.643 -0.018 25489 3397 1 6 . 1 1 177 177 ARG H H 177 7.555 7.555 8.295 -0.740 25489 3398 1 6 . 1 1 178 178 TRP N N 178 129.182 129.182 127.841 1.341 25489 3399 1 6 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.408 -0.295 25489 3400 1 6 . 1 1 178 178 TRP H H 178 8.788 8.788 8.623 0.165 25489 3401 1 6 . 1 1 179 179 THR N N 179 112.874 112.874 116.320 -3.446 25489 3402 1 6 . 1 1 179 179 THR HA H 179 5.015 5.015 4.787 0.228 25489 3403 1 6 . 1 1 179 179 THR H H 179 8.946 8.946 8.985 -0.039 25489 3404 1 6 . 1 1 180 180 ASP N N 180 121.969 121.969 126.154 -4.185 25489 3405 1 6 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.750 -0.328 25489 3406 1 6 . 1 1 180 180 ASP H H 180 8.478 8.478 8.700 -0.222 25489 3407 1 6 . 1 1 181 181 GLY N N 181 110.059 110.059 108.555 1.504 25489 3408 1 6 . 1 1 181 181 GLY H H 181 8.572 8.572 8.413 0.159 25489 3409 1 6 . 1 1 182 182 SER N N 182 115.564 115.564 115.940 -0.376 25489 3410 1 6 . 1 1 182 182 SER HA H 182 4.599 4.599 4.379 0.220 25489 3411 1 6 . 1 1 182 182 SER H H 182 8.173 8.173 8.028 0.145 25489 3412 1 6 . 1 1 183 183 SER N N 183 117.066 117.066 112.995 4.071 25489 3413 1 6 . 1 1 183 183 SER H H 183 7.819 7.819 8.439 -0.620 25489 3414 1 6 . 1 1 184 184 LEU N N 184 121.954 121.954 121.950 0.004 25489 3415 1 6 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.507 -0.145 25489 3416 1 6 . 1 1 184 184 LEU H H 184 8.104 8.104 7.635 0.469 25489 3417 1 6 . 1 1 185 185 GLY N N 185 108.989 108.989 105.503 3.486 25489 3418 1 6 . 1 1 185 185 GLY H H 185 7.954 7.954 7.376 0.578 25489 3419 1 6 . 1 1 186 186 ILE N N 186 123.084 123.084 121.869 1.215 25489 3420 1 6 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.193 -0.414 25489 3421 1 6 . 1 1 186 186 ILE H H 186 8.878 8.878 8.484 0.394 25489 3422 1 6 . 1 1 187 187 ASN N N 187 126.999 126.999 125.881 1.118 25489 3423 1 6 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.705 -0.309 25489 3424 1 6 . 1 1 187 187 ASN H H 187 8.575 8.575 8.686 -0.111 25489 3425 1 6 . 1 1 188 188 PHE N N 188 129.819 129.819 128.202 1.617 25489 3426 1 6 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.643 -0.052 25489 3427 1 6 . 1 1 188 188 PHE H H 188 9.365 9.365 8.161 1.204 25489 3428 1 6 . 1 1 189 189 LEU N N 189 119.292 119.292 121.853 -2.561 25489 3429 1 6 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.661 0.172 25489 3430 1 6 . 1 1 189 189 LEU H H 189 8.551 8.551 8.004 0.547 25489 3431 1 6 . 1 1 191 191 ALA N N 191 120.347 120.347 120.905 -0.558 25489 3432 1 6 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.142 0.155 25489 3433 1 6 . 1 1 191 191 ALA H H 191 7.973 7.973 7.555 0.418 25489 3434 1 6 . 1 1 192 192 ALA N N 192 121.365 121.365 121.667 -0.302 25489 3435 1 6 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.738 0.279 25489 3436 1 6 . 1 1 192 192 ALA H H 192 9.258 9.258 8.157 1.101 25489 3437 1 6 . 1 1 193 193 THR N N 193 117.027 117.027 112.898 4.129 25489 3438 1 6 . 1 1 193 193 THR HA H 193 3.825 3.825 3.452 0.373 25489 3439 1 6 . 1 1 193 193 THR H H 193 8.209 8.209 7.834 0.375 25489 3440 1 6 . 1 1 194 194 HIS N N 194 120.231 120.231 122.427 -2.196 25489 3441 1 6 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.303 -0.070 25489 3442 1 6 . 1 1 194 194 HIS H H 194 7.805 7.805 7.807 -0.002 25489 3443 1 6 . 1 1 195 195 ALA N N 195 121.346 121.346 120.499 0.847 25489 3444 1 6 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.232 -0.052 25489 3445 1 6 . 1 1 195 195 ALA H H 195 8.693 8.693 8.068 0.625 25489 3446 1 6 . 1 1 196 196 LEU N N 196 114.951 114.951 118.284 -3.333 25489 3447 1 6 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.197 -0.039 25489 3448 1 6 . 1 1 196 196 LEU H H 196 8.714 8.714 8.163 0.551 25489 3449 1 6 . 1 1 197 197 GLY N N 197 107.954 107.954 106.966 0.988 25489 3450 1 6 . 1 1 197 197 GLY H H 197 7.540 7.540 8.075 -0.535 25489 3451 1 6 . 1 1 198 198 HIS N N 198 121.996 121.996 120.708 1.288 25489 3452 1 6 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.258 0.551 25489 3453 1 6 . 1 1 198 198 HIS H H 198 7.205 7.205 7.212 -0.007 25489 3454 1 6 . 1 1 199 199 SER N N 199 118.570 118.570 115.152 3.418 25489 3455 1 6 . 1 1 199 199 SER HA H 199 4.448 4.448 4.327 0.121 25489 3456 1 6 . 1 1 199 199 SER H H 199 7.886 7.886 8.193 -0.307 25489 3457 1 6 . 1 1 200 200 LEU N N 200 114.779 114.779 119.174 -4.395 25489 3458 1 6 . 1 1 200 200 LEU H H 200 7.106 7.106 8.136 -1.030 25489 3459 1 6 . 1 1 201 201 GLY N N 201 108.350 108.350 105.377 2.973 25489 3460 1 6 . 1 1 201 201 GLY H H 201 8.213 8.213 7.935 0.278 25489 3461 1 6 . 1 1 202 202 MET N N 202 119.623 119.623 119.002 0.621 25489 3462 1 6 . 1 1 202 202 MET HA H 202 4.484 4.484 4.466 0.018 25489 3463 1 6 . 1 1 202 202 MET H H 202 8.189 8.189 8.107 0.082 25489 3464 1 6 . 1 1 203 203 GLY N N 203 109.770 109.770 106.867 2.903 25489 3465 1 6 . 1 1 203 203 GLY H H 203 8.413 8.413 7.966 0.447 25489 3466 1 6 . 1 1 204 204 HIS N N 204 115.793 115.793 116.929 -1.136 25489 3467 1 6 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.920 0.454 25489 3468 1 6 . 1 1 204 204 HIS H H 204 8.383 8.383 8.463 -0.080 25489 3469 1 6 . 1 1 205 205 SER N N 205 115.497 115.497 114.580 0.917 25489 3470 1 6 . 1 1 205 205 SER HA H 205 4.721 4.721 4.632 0.089 25489 3471 1 6 . 1 1 205 205 SER H H 205 7.223 7.223 8.449 -1.226 25489 3472 1 6 . 1 1 206 206 SER N N 206 119.268 119.268 114.311 4.957 25489 3473 1 6 . 1 1 206 206 SER HA H 206 3.721 3.721 4.655 -0.934 25489 3474 1 6 . 1 1 206 206 SER H H 206 8.290 8.290 8.725 -0.435 25489 3475 1 6 . 1 1 207 207 ASP N N 207 126.656 126.656 122.122 4.534 25489 3476 1 6 . 1 1 207 207 ASP H H 207 8.541 8.541 8.005 0.536 25489 3477 1 6 . 1 1 209 209 ASN N N 209 115.911 115.911 114.963 0.948 25489 3478 1 6 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.854 -0.238 25489 3479 1 6 . 1 1 209 209 ASN H H 209 8.374 8.374 7.708 0.666 25489 3480 1 6 . 1 1 210 210 ALA N N 210 124.929 124.929 123.638 1.291 25489 3481 1 6 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.410 -0.256 25489 3482 1 6 . 1 1 210 210 ALA H H 210 8.182 8.182 7.999 0.183 25489 3483 1 6 . 1 1 211 211 VAL N N 211 130.383 130.383 124.285 6.098 25489 3484 1 6 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.684 0.566 25489 3485 1 6 . 1 1 211 211 VAL H H 211 11.554 11.554 8.493 3.061 25489 3486 1 6 . 1 1 212 212 MET N N 212 113.319 113.319 115.995 -2.676 25489 3487 1 6 . 1 1 212 212 MET H H 212 7.741 7.741 8.746 -1.005 25489 3488 1 6 . 1 1 213 213 TYR N N 213 130.006 130.006 122.882 7.124 25489 3489 1 6 . 1 1 213 213 TYR H H 213 7.899 7.899 7.777 0.122 25489 3490 1 6 . 1 1 215 215 THR N N 215 104.747 104.747 107.717 -2.970 25489 3491 1 6 . 1 1 215 215 THR HA H 215 4.404 4.404 4.696 -0.292 25489 3492 1 6 . 1 1 215 215 THR H H 215 6.402 6.402 7.368 -0.966 25489 3493 1 6 . 1 1 216 216 TYR N N 216 124.699 124.699 123.889 0.810 25489 3494 1 6 . 1 1 216 216 TYR H H 216 8.341 8.341 8.963 -0.622 25489 3495 1 6 . 1 1 217 217 GLY N N 217 116.288 116.288 113.892 2.396 25489 3496 1 6 . 1 1 217 217 GLY H H 217 7.685 7.685 8.253 -0.568 25489 3497 1 6 . 1 1 218 218 ASN N N 218 119.920 119.920 116.749 3.171 25489 3498 1 6 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.597 0.023 25489 3499 1 6 . 1 1 218 218 ASN H H 218 8.221 8.221 8.591 -0.370 25489 3500 1 6 . 1 1 219 219 GLY N N 219 109.601 109.601 108.378 1.223 25489 3501 1 6 . 1 1 219 219 GLY H H 219 8.072 8.072 7.552 0.520 25489 3502 1 6 . 1 1 220 220 ASP N N 220 123.006 123.006 122.257 0.749 25489 3503 1 6 . 1 1 220 220 ASP H H 220 8.280 8.280 8.332 -0.052 25489 3504 1 6 . 1 1 222 222 GLN N N 222 116.642 116.642 124.001 -7.359 25489 3505 1 6 . 1 1 222 222 GLN H H 222 8.215 8.215 8.599 -0.384 25489 3506 1 6 . 1 1 223 223 ASN N N 223 118.361 118.361 114.716 3.645 25489 3507 1 6 . 1 1 223 223 ASN H H 223 7.970 7.970 8.110 -0.140 25489 3508 1 6 . 1 1 225 225 LYS N N 225 122.215 122.215 124.439 -2.224 25489 3509 1 6 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.662 -0.246 25489 3510 1 6 . 1 1 225 225 LYS H H 225 7.656 7.656 7.755 -0.099 25489 3511 1 6 . 1 1 226 226 LEU N N 226 119.165 119.165 121.902 -2.737 25489 3512 1 6 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.744 -0.656 25489 3513 1 6 . 1 1 226 226 LEU H H 226 7.984 7.984 8.429 -0.445 25489 3514 1 6 . 1 1 227 227 SER N N 227 120.520 120.520 119.686 0.834 25489 3515 1 6 . 1 1 227 227 SER HA H 227 4.676 4.676 4.632 0.044 25489 3516 1 6 . 1 1 227 227 SER H H 227 9.646 9.646 9.402 0.244 25489 3517 1 6 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.247 0.427 25489 3518 1 6 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.497 -0.123 25489 3519 1 6 . 1 1 229 229 ASP H H 229 8.113 8.113 7.799 0.314 25489 3520 1 6 . 1 1 230 230 ASP N N 230 119.878 119.878 120.332 -0.454 25489 3521 1 6 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.567 -0.229 25489 3522 1 6 . 1 1 230 230 ASP H H 230 7.397 7.397 7.615 -0.218 25489 3523 1 6 . 1 1 231 231 ILE N N 231 120.389 120.389 120.849 -0.460 25489 3524 1 6 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.706 -0.051 25489 3525 1 6 . 1 1 231 231 ILE H H 231 8.100 8.100 7.738 0.362 25489 3526 1 6 . 1 1 232 232 LYS N N 232 119.084 119.084 119.452 -0.368 25489 3527 1 6 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.128 -0.033 25489 3528 1 6 . 1 1 232 232 LYS H H 232 8.581 8.581 7.712 0.869 25489 3529 1 6 . 1 1 233 233 GLY N N 233 106.424 106.424 105.877 0.547 25489 3530 1 6 . 1 1 233 233 GLY H H 233 8.061 8.061 7.693 0.368 25489 3531 1 6 . 1 1 234 234 ILE N N 234 125.166 125.166 122.216 2.950 25489 3532 1 6 . 1 1 234 234 ILE H H 234 8.517 8.517 7.153 1.364 25489 3533 1 6 . 1 1 235 235 GLN N N 235 122.969 122.969 117.778 5.191 25489 3534 1 6 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.869 0.512 25489 3535 1 6 . 1 1 235 235 GLN H H 235 8.291 8.291 7.920 0.371 25489 3536 1 6 . 1 1 236 236 LYS N N 236 123.770 123.770 119.559 4.211 25489 3537 1 6 . 1 1 236 236 LYS H H 236 8.035 8.035 7.385 0.650 25489 3538 1 6 . 1 1 237 237 LEU N N 237 116.854 116.854 119.487 -2.633 25489 3539 1 6 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.055 -0.096 25489 3540 1 6 . 1 1 237 237 LEU H H 237 6.886 6.886 7.210 -0.324 25489 3541 1 6 . 1 1 238 238 TYR N N 238 112.132 112.132 112.758 -0.626 25489 3542 1 6 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.702 -0.076 25489 3543 1 6 . 1 1 238 238 TYR H H 238 7.459 7.459 7.059 0.400 25489 3544 1 6 . 1 1 239 239 GLY N N 239 110.898 110.898 110.797 0.101 25489 3545 1 6 . 1 1 239 239 GLY H H 239 8.442 8.442 7.445 0.997 25489 3546 1 6 . 1 1 240 240 LYS N N 240 114.400 114.400 122.761 -8.361 25489 3547 1 6 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.421 0.383 25489 3548 1 6 . 1 1 240 240 LYS H H 240 7.865 7.865 8.234 -0.369 25489 3549 1 6 . 1 1 241 241 ARG N N 241 123.851 123.851 121.143 2.708 25489 3550 1 6 . 1 1 241 241 ARG H H 241 7.760 7.760 8.654 -0.894 25489 3551 1 6 . 1 1 242 242 SER N N 242 135.647 135.647 117.477 18.170 25489 3552 1 6 . 1 1 242 242 SER H H 242 9.158 9.158 8.593 0.565 25489 3553 1 7 . 1 1 3 3 GLU N N 3 121.690 121.690 119.980 1.710 25489 3554 1 7 . 1 1 3 3 GLU H H 3 8.332 8.332 8.877 -0.545 25489 3555 1 7 . 1 1 4 4 ALA N N 4 124.526 124.526 120.142 4.384 25489 3556 1 7 . 1 1 4 4 ALA H H 4 8.111 8.111 8.210 -0.099 25489 3557 1 7 . 1 1 5 5 GLY N N 5 108.229 108.229 105.646 2.583 25489 3558 1 7 . 1 1 5 5 GLY H H 5 8.286 8.286 7.550 0.736 25489 3559 1 7 . 1 1 6 6 GLY N N 6 108.867 108.867 108.046 0.821 25489 3560 1 7 . 1 1 6 6 GLY H H 6 8.239 8.239 7.488 0.751 25489 3561 1 7 . 1 1 7 7 MET N N 7 119.984 119.984 119.927 0.057 25489 3562 1 7 . 1 1 7 7 MET H H 7 8.044 8.044 7.369 0.675 25489 3563 1 7 . 1 1 8 8 SER N N 8 118.771 118.771 120.878 -2.107 25489 3564 1 7 . 1 1 8 8 SER HA H 8 4.239 4.239 4.402 -0.163 25489 3565 1 7 . 1 1 8 8 SER H H 8 8.738 8.738 8.478 0.260 25489 3566 1 7 . 1 1 9 9 GLU N N 9 122.551 122.551 128.774 -6.223 25489 3567 1 7 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.123 0.129 25489 3568 1 7 . 1 1 9 9 GLU H H 9 8.919 8.919 9.086 -0.167 25489 3569 1 7 . 1 1 10 10 LEU N N 10 120.638 120.638 119.504 1.134 25489 3570 1 7 . 1 1 10 10 LEU H H 10 8.017 8.017 7.672 0.345 25489 3571 1 7 . 1 1 11 11 GLN N N 11 119.889 119.889 118.362 1.527 25489 3572 1 7 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.194 -0.060 25489 3573 1 7 . 1 1 11 11 GLN H H 11 7.807 7.807 8.200 -0.393 25489 3574 1 7 . 1 1 12 12 TRP N N 12 120.951 120.951 123.262 -2.311 25489 3575 1 7 . 1 1 12 12 TRP H H 12 8.202 8.202 7.818 0.384 25489 3576 1 7 . 1 1 13 13 GLU N N 13 121.870 121.870 118.915 2.955 25489 3577 1 7 . 1 1 13 13 GLU H H 13 8.436 8.436 7.780 0.656 25489 3578 1 7 . 1 1 14 14 GLN N N 14 120.646 120.646 118.976 1.670 25489 3579 1 7 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.654 0.515 25489 3580 1 7 . 1 1 14 14 GLN H H 14 8.159 8.159 7.617 0.542 25489 3581 1 7 . 1 1 15 15 ALA N N 15 123.216 123.216 121.857 1.359 25489 3582 1 7 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.911 0.427 25489 3583 1 7 . 1 1 15 15 ALA H H 15 8.355 8.355 7.752 0.603 25489 3584 1 7 . 1 1 16 16 GLN N N 16 117.766 117.766 117.762 0.004 25489 3585 1 7 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.807 -0.102 25489 3586 1 7 . 1 1 16 16 GLN H H 16 8.440 8.440 8.078 0.362 25489 3587 1 7 . 1 1 17 17 ASP N N 17 120.090 120.090 119.913 0.177 25489 3588 1 7 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.329 0.134 25489 3589 1 7 . 1 1 17 17 ASP H H 17 7.899 7.899 7.638 0.261 25489 3590 1 7 . 1 1 18 18 TYR N N 18 122.296 122.296 118.407 3.889 25489 3591 1 7 . 1 1 18 18 TYR H H 18 8.264 8.264 7.847 0.417 25489 3592 1 7 . 1 1 19 19 LEU N N 19 117.675 117.675 121.123 -3.448 25489 3593 1 7 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.219 -0.094 25489 3594 1 7 . 1 1 19 19 LEU H H 19 8.687 8.687 7.868 0.819 25489 3595 1 7 . 1 1 20 20 LYS N N 20 124.620 124.620 117.947 6.673 25489 3596 1 7 . 1 1 20 20 LYS HA H 20 4.143 4.143 3.932 0.211 25489 3597 1 7 . 1 1 20 20 LYS H H 20 8.790 8.790 7.755 1.035 25489 3598 1 7 . 1 1 21 21 ARG N N 21 117.608 117.608 115.945 1.663 25489 3599 1 7 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.220 -0.523 25489 3600 1 7 . 1 1 21 21 ARG H H 21 7.835 7.835 7.625 0.210 25489 3601 1 7 . 1 1 22 22 PHE N N 22 112.136 112.136 119.121 -6.985 25489 3602 1 7 . 1 1 22 22 PHE H H 22 8.003 8.003 7.791 0.212 25489 3603 1 7 . 1 1 23 23 TYR N N 23 116.244 116.244 115.257 0.987 25489 3604 1 7 . 1 1 23 23 TYR H H 23 7.678 7.678 8.256 -0.578 25489 3605 1 7 . 1 1 24 24 LEU N N 24 115.582 115.582 114.880 0.702 25489 3606 1 7 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.499 -0.364 25489 3607 1 7 . 1 1 24 24 LEU H H 24 7.238 7.238 7.935 -0.697 25489 3608 1 7 . 1 1 25 25 TYR N N 25 119.996 119.996 124.379 -4.383 25489 3609 1 7 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.466 -0.061 25489 3610 1 7 . 1 1 25 25 TYR H H 25 7.826 7.826 8.505 -0.679 25489 3611 1 7 . 1 1 26 26 ASP N N 26 129.292 129.292 125.169 4.123 25489 3612 1 7 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.578 -0.117 25489 3613 1 7 . 1 1 26 26 ASP H H 26 8.121 8.121 7.579 0.542 25489 3614 1 7 . 1 1 28 28 GLU N N 28 122.115 122.115 120.798 1.317 25489 3615 1 7 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.298 -0.017 25489 3616 1 7 . 1 1 28 28 GLU H H 28 8.262 8.262 7.869 0.393 25489 3617 1 7 . 1 1 29 29 THR N N 29 114.171 114.171 113.537 0.634 25489 3618 1 7 . 1 1 29 29 THR HA H 29 4.222 4.222 4.147 0.075 25489 3619 1 7 . 1 1 29 29 THR H H 29 7.496 7.496 7.671 -0.175 25489 3620 1 7 . 1 1 30 30 LYS N N 30 123.019 123.019 121.573 1.446 25489 3621 1 7 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.270 -0.052 25489 3622 1 7 . 1 1 30 30 LYS H H 30 8.154 8.154 7.115 1.039 25489 3623 1 7 . 1 1 32 32 ALA N N 32 126.481 126.481 126.440 0.041 25489 3624 1 7 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.310 -0.060 25489 3625 1 7 . 1 1 32 32 ALA H H 32 8.424 8.424 8.765 -0.341 25489 3626 1 7 . 1 1 33 33 ASN N N 33 116.834 116.834 116.051 0.783 25489 3627 1 7 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.680 0.018 25489 3628 1 7 . 1 1 33 33 ASN H H 33 8.312 8.312 8.122 0.190 25489 3629 1 7 . 1 1 34 34 SER N N 34 116.960 116.960 116.995 -0.035 25489 3630 1 7 . 1 1 34 34 SER HA H 34 4.522 4.522 4.301 0.221 25489 3631 1 7 . 1 1 34 34 SER H H 34 8.112 8.112 8.089 0.023 25489 3632 1 7 . 1 1 35 35 LEU N N 35 125.335 125.335 123.322 2.013 25489 3633 1 7 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.241 -0.690 25489 3634 1 7 . 1 1 35 35 LEU H H 35 8.324 8.324 8.872 -0.548 25489 3635 1 7 . 1 1 36 36 GLU N N 36 119.302 119.302 119.877 -0.575 25489 3636 1 7 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.313 -0.370 25489 3637 1 7 . 1 1 36 36 GLU H H 36 8.239 8.239 7.848 0.391 25489 3638 1 7 . 1 1 37 37 ALA N N 37 120.683 120.683 121.898 -1.215 25489 3639 1 7 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.173 -0.126 25489 3640 1 7 . 1 1 37 37 ALA H H 37 7.898 7.898 7.948 -0.050 25489 3641 1 7 . 1 1 38 38 LYS N N 38 119.470 119.470 119.546 -0.076 25489 3642 1 7 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.072 0.261 25489 3643 1 7 . 1 1 38 38 LYS H H 38 8.217 8.217 7.496 0.721 25489 3644 1 7 . 1 1 39 39 LEU N N 39 122.664 122.664 120.006 2.658 25489 3645 1 7 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.982 -0.068 25489 3646 1 7 . 1 1 39 39 LEU H H 39 8.658 8.658 8.122 0.536 25489 3647 1 7 . 1 1 40 40 LYS N N 40 118.301 118.301 119.172 -0.871 25489 3648 1 7 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.096 0.577 25489 3649 1 7 . 1 1 40 40 LYS H H 40 8.221 8.221 8.548 -0.327 25489 3650 1 7 . 1 1 41 41 GLU N N 41 121.462 121.462 118.592 2.870 25489 3651 1 7 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.166 -0.098 25489 3652 1 7 . 1 1 41 41 GLU H H 41 7.736 7.736 7.741 -0.005 25489 3653 1 7 . 1 1 42 42 MET N N 42 123.761 123.761 119.989 3.772 25489 3654 1 7 . 1 1 42 42 MET HA H 42 4.046 4.046 4.559 -0.513 25489 3655 1 7 . 1 1 42 42 MET H H 42 7.672 7.672 7.731 -0.059 25489 3656 1 7 . 1 1 43 43 GLN N N 43 120.035 120.035 118.399 1.636 25489 3657 1 7 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.139 -0.343 25489 3658 1 7 . 1 1 43 43 GLN H H 43 8.904 8.904 8.120 0.784 25489 3659 1 7 . 1 1 44 44 LYS N N 44 119.131 119.131 119.379 -0.248 25489 3660 1 7 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.270 -0.218 25489 3661 1 7 . 1 1 44 44 LYS H H 44 8.511 8.511 7.844 0.667 25489 3662 1 7 . 1 1 45 45 PHE N N 45 123.544 123.544 120.670 2.874 25489 3663 1 7 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.208 -0.358 25489 3664 1 7 . 1 1 45 45 PHE H H 45 8.438 8.438 7.931 0.507 25489 3665 1 7 . 1 1 46 46 PHE N N 46 112.789 112.789 114.655 -1.866 25489 3666 1 7 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.568 0.014 25489 3667 1 7 . 1 1 46 46 PHE H H 46 8.273 8.273 7.825 0.448 25489 3668 1 7 . 1 1 47 47 GLY N N 47 110.408 110.408 105.531 4.877 25489 3669 1 7 . 1 1 47 47 GLY H H 47 7.922 7.922 7.409 0.513 25489 3670 1 7 . 1 1 48 48 LEU N N 48 121.853 121.853 122.197 -0.344 25489 3671 1 7 . 1 1 48 48 LEU H H 48 8.747 8.747 7.522 1.225 25489 3672 1 7 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.326 -0.125 25489 3673 1 7 . 1 1 50 50 ILE N N 50 127.000 127.000 121.121 5.879 25489 3674 1 7 . 1 1 50 50 ILE H H 50 8.529 8.529 7.696 0.833 25489 3675 1 7 . 1 1 51 51 THR N N 51 116.519 116.519 116.394 0.125 25489 3676 1 7 . 1 1 51 51 THR H H 51 7.980 7.980 8.225 -0.245 25489 3677 1 7 . 1 1 52 52 GLY N N 52 112.725 112.725 112.112 0.613 25489 3678 1 7 . 1 1 52 52 GLY H H 52 9.483 9.483 9.522 -0.039 25489 3679 1 7 . 1 1 53 53 MET N N 53 116.735 116.735 119.916 -3.181 25489 3680 1 7 . 1 1 53 53 MET HA H 53 4.044 4.044 4.671 -0.627 25489 3681 1 7 . 1 1 53 53 MET H H 53 7.969 7.969 7.803 0.166 25489 3682 1 7 . 1 1 54 54 LEU N N 54 122.602 122.602 127.058 -4.456 25489 3683 1 7 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.706 -1.000 25489 3684 1 7 . 1 1 54 54 LEU H H 54 7.926 7.926 8.555 -0.629 25489 3685 1 7 . 1 1 55 55 ASN N N 55 115.755 115.755 118.737 -2.982 25489 3686 1 7 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.780 -0.040 25489 3687 1 7 . 1 1 55 55 ASN H H 55 6.555 6.555 8.569 -2.014 25489 3688 1 7 . 1 1 56 56 SER N N 56 121.450 121.450 116.941 4.509 25489 3689 1 7 . 1 1 56 56 SER HA H 56 4.662 4.662 4.695 -0.033 25489 3690 1 7 . 1 1 56 56 SER H H 56 8.205 8.205 7.845 0.360 25489 3691 1 7 . 1 1 57 57 ARG N N 57 123.219 123.219 121.237 1.982 25489 3692 1 7 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.134 0.072 25489 3693 1 7 . 1 1 57 57 ARG H H 57 7.883 7.883 8.659 -0.776 25489 3694 1 7 . 1 1 58 58 VAL N N 58 118.843 118.843 118.357 0.486 25489 3695 1 7 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.312 -0.012 25489 3696 1 7 . 1 1 58 58 VAL H H 58 7.594 7.594 7.887 -0.293 25489 3697 1 7 . 1 1 59 59 ILE N N 59 119.212 119.212 115.960 3.252 25489 3698 1 7 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.108 -0.639 25489 3699 1 7 . 1 1 59 59 ILE H H 59 7.326 7.326 7.836 -0.510 25489 3700 1 7 . 1 1 60 60 GLU N N 60 119.544 119.544 122.528 -2.984 25489 3701 1 7 . 1 1 60 60 GLU H H 60 7.880 7.880 7.587 0.293 25489 3702 1 7 . 1 1 61 61 ILE N N 61 118.812 118.812 116.547 2.265 25489 3703 1 7 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.820 -0.378 25489 3704 1 7 . 1 1 61 61 ILE H H 61 7.217 7.217 7.413 -0.196 25489 3705 1 7 . 1 1 62 62 MET N N 62 120.202 120.202 115.101 5.101 25489 3706 1 7 . 1 1 62 62 MET HA H 62 3.419 3.419 4.186 -0.767 25489 3707 1 7 . 1 1 62 62 MET H H 62 7.820 7.820 7.538 0.282 25489 3708 1 7 . 1 1 63 63 GLN N N 63 116.274 116.274 116.995 -0.721 25489 3709 1 7 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.253 -0.012 25489 3710 1 7 . 1 1 63 63 GLN H H 63 7.442 7.442 7.381 0.061 25489 3711 1 7 . 1 1 64 64 LYS N N 64 121.450 121.450 119.817 1.633 25489 3712 1 7 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.409 0.090 25489 3713 1 7 . 1 1 64 64 LYS H H 64 7.474 7.474 7.268 0.206 25489 3714 1 7 . 1 1 66 66 ARG N N 66 113.173 113.173 123.035 -9.862 25489 3715 1 7 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.644 -0.205 25489 3716 1 7 . 1 1 66 66 ARG H H 66 8.151 8.151 7.676 0.475 25489 3717 1 7 . 1 1 67 67 CYS N N 67 121.794 121.794 120.480 1.314 25489 3718 1 7 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.635 -0.215 25489 3719 1 7 . 1 1 67 67 CYS H H 67 7.709 7.709 8.669 -0.960 25489 3720 1 7 . 1 1 68 68 GLY N N 68 116.255 116.255 117.741 -1.486 25489 3721 1 7 . 1 1 68 68 GLY H H 68 9.707 9.707 9.279 0.428 25489 3722 1 7 . 1 1 69 69 VAL N N 69 126.541 126.541 116.715 9.826 25489 3723 1 7 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.686 -0.879 25489 3724 1 7 . 1 1 69 69 VAL H H 69 9.118 9.118 7.381 1.737 25489 3725 1 7 . 1 1 71 71 ASP N N 71 119.114 119.114 122.650 -3.536 25489 3726 1 7 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.137 0.346 25489 3727 1 7 . 1 1 71 71 ASP H H 71 8.067 8.067 8.816 -0.749 25489 3728 1 7 . 1 1 72 72 VAL N N 72 112.988 112.988 112.625 0.363 25489 3729 1 7 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.714 0.567 25489 3730 1 7 . 1 1 72 72 VAL H H 72 6.438 6.438 7.468 -1.030 25489 3731 1 7 . 1 1 73 73 ALA N N 73 125.902 125.902 125.414 0.488 25489 3732 1 7 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.158 0.109 25489 3733 1 7 . 1 1 73 73 ALA H H 73 8.171 8.171 6.104 2.067 25489 3734 1 7 . 1 1 74 74 GLU N N 74 120.835 120.835 124.662 -3.827 25489 3735 1 7 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.191 -0.108 25489 3736 1 7 . 1 1 74 74 GLU H H 74 8.385 8.385 8.157 0.228 25489 3737 1 7 . 1 1 75 75 TYR N N 75 121.820 121.820 120.444 1.376 25489 3738 1 7 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.946 -0.552 25489 3739 1 7 . 1 1 75 75 TYR H H 75 8.102 8.102 7.886 0.216 25489 3740 1 7 . 1 1 76 76 SER N N 76 117.881 117.881 120.586 -2.705 25489 3741 1 7 . 1 1 76 76 SER H H 76 7.718 7.718 8.870 -1.152 25489 3742 1 7 . 1 1 77 77 LEU N N 77 123.835 123.835 119.918 3.917 25489 3743 1 7 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.031 0.061 25489 3744 1 7 . 1 1 77 77 LEU H H 77 8.033 8.033 8.582 -0.549 25489 3745 1 7 . 1 1 78 78 PHE N N 78 118.893 118.893 123.671 -4.778 25489 3746 1 7 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.193 0.652 25489 3747 1 7 . 1 1 78 78 PHE H H 78 7.822 7.822 7.273 0.549 25489 3748 1 7 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.225 0.106 25489 3749 1 7 . 1 1 80 80 ASN N N 80 118.184 118.184 120.793 -2.609 25489 3750 1 7 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.978 -0.298 25489 3751 1 7 . 1 1 80 80 ASN H H 80 8.106 8.106 8.086 0.020 25489 3752 1 7 . 1 1 81 81 SER HA H 81 4.636 4.636 4.852 -0.216 25489 3753 1 7 . 1 1 83 83 LYS N N 83 114.696 114.696 115.293 -0.597 25489 3754 1 7 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.621 -0.398 25489 3755 1 7 . 1 1 83 83 LYS H H 83 7.361 7.361 7.668 -0.307 25489 3756 1 7 . 1 1 84 84 TRP N N 84 122.459 122.459 121.965 0.494 25489 3757 1 7 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.715 -0.712 25489 3758 1 7 . 1 1 84 84 TRP H H 84 8.020 8.020 8.550 -0.530 25489 3759 1 7 . 1 1 85 85 THR N N 85 113.482 113.482 119.246 -5.764 25489 3760 1 7 . 1 1 85 85 THR HA H 85 4.586 4.586 4.419 0.167 25489 3761 1 7 . 1 1 85 85 THR H H 85 8.833 8.833 7.963 0.870 25489 3762 1 7 . 1 1 86 86 SER N N 86 117.316 117.316 115.531 1.785 25489 3763 1 7 . 1 1 86 86 SER HA H 86 4.665 4.665 4.479 0.186 25489 3764 1 7 . 1 1 86 86 SER H H 86 7.724 7.724 7.621 0.103 25489 3765 1 7 . 1 1 87 87 LYS N N 87 120.411 120.411 122.760 -2.349 25489 3766 1 7 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.287 -0.148 25489 3767 1 7 . 1 1 87 87 LYS H H 87 8.312 8.312 8.736 -0.424 25489 3768 1 7 . 1 1 88 88 VAL N N 88 117.674 117.674 111.988 5.686 25489 3769 1 7 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.441 0.210 25489 3770 1 7 . 1 1 88 88 VAL H H 88 7.425 7.425 7.425 -0.000 25489 3771 1 7 . 1 1 89 89 VAL N N 89 131.493 131.493 125.087 6.406 25489 3772 1 7 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.497 -0.356 25489 3773 1 7 . 1 1 89 89 VAL H H 89 8.574 8.574 8.837 -0.263 25489 3774 1 7 . 1 1 90 90 THR N N 90 118.245 118.245 119.628 -1.383 25489 3775 1 7 . 1 1 90 90 THR HA H 90 5.627 5.627 5.519 0.108 25489 3776 1 7 . 1 1 90 90 THR H H 90 9.021 9.021 8.377 0.644 25489 3777 1 7 . 1 1 91 91 TYR N N 91 118.267 118.267 121.916 -3.649 25489 3778 1 7 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.628 0.046 25489 3779 1 7 . 1 1 91 91 TYR H H 91 8.555 8.555 8.658 -0.103 25489 3780 1 7 . 1 1 92 92 ARG N N 92 120.260 120.260 125.751 -5.491 25489 3781 1 7 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.866 -0.220 25489 3782 1 7 . 1 1 92 92 ARG H H 92 8.513 8.513 9.136 -0.623 25489 3783 1 7 . 1 1 93 93 ILE N N 93 128.361 128.361 126.849 1.512 25489 3784 1 7 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.654 -0.035 25489 3785 1 7 . 1 1 93 93 ILE H H 93 8.878 8.878 8.933 -0.055 25489 3786 1 7 . 1 1 94 94 VAL N N 94 126.374 126.374 124.379 1.995 25489 3787 1 7 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.494 -0.494 25489 3788 1 7 . 1 1 94 94 VAL H H 94 9.492 9.492 8.811 0.681 25489 3789 1 7 . 1 1 95 95 SER N N 95 113.303 113.303 115.687 -2.384 25489 3790 1 7 . 1 1 95 95 SER HA H 95 4.705 4.705 4.861 -0.156 25489 3791 1 7 . 1 1 95 95 SER H H 95 7.431 7.431 7.650 -0.219 25489 3792 1 7 . 1 1 96 96 TYR N N 96 117.054 117.054 119.925 -2.871 25489 3793 1 7 . 1 1 96 96 TYR H H 96 8.255 8.255 8.495 -0.240 25489 3794 1 7 . 1 1 98 98 ARG N N 98 128.445 128.445 128.034 0.411 25489 3795 1 7 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.245 0.093 25489 3796 1 7 . 1 1 98 98 ARG H H 98 8.964 8.964 8.917 0.047 25489 3797 1 7 . 1 1 99 99 ASP N N 99 120.412 120.412 117.219 3.193 25489 3798 1 7 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.671 -0.336 25489 3799 1 7 . 1 1 99 99 ASP H H 99 8.695 8.695 8.137 0.558 25489 3800 1 7 . 1 1 100 100 LEU N N 100 116.851 116.851 121.646 -4.795 25489 3801 1 7 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.711 0.222 25489 3802 1 7 . 1 1 100 100 LEU H H 100 6.902 6.902 7.398 -0.496 25489 3803 1 7 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.028 0.139 25489 3804 1 7 . 1 1 103 103 ILE N N 103 115.469 115.469 114.160 1.309 25489 3805 1 7 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.766 0.407 25489 3806 1 7 . 1 1 103 103 ILE H H 103 8.296 8.296 7.978 0.318 25489 3807 1 7 . 1 1 104 104 THR N N 104 119.413 119.413 114.887 4.526 25489 3808 1 7 . 1 1 104 104 THR HA H 104 4.019 4.019 4.096 -0.077 25489 3809 1 7 . 1 1 104 104 THR H H 104 6.915 6.915 8.018 -1.103 25489 3810 1 7 . 1 1 105 105 VAL N N 105 123.232 123.232 122.074 1.158 25489 3811 1 7 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.497 -0.083 25489 3812 1 7 . 1 1 105 105 VAL H H 105 7.379 7.379 7.455 -0.076 25489 3813 1 7 . 1 1 106 106 ASP N N 106 120.160 120.160 119.430 0.730 25489 3814 1 7 . 1 1 106 106 ASP H H 106 8.615 8.615 7.853 0.762 25489 3815 1 7 . 1 1 107 107 ARG N N 107 121.041 121.041 119.733 1.308 25489 3816 1 7 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.098 -0.008 25489 3817 1 7 . 1 1 107 107 ARG H H 107 8.372 8.372 7.458 0.914 25489 3818 1 7 . 1 1 108 108 LEU N N 108 121.644 121.644 119.922 1.722 25489 3819 1 7 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.095 0.158 25489 3820 1 7 . 1 1 108 108 LEU H H 108 8.768 8.768 8.054 0.714 25489 3821 1 7 . 1 1 109 109 VAL N N 109 120.347 120.347 120.373 -0.026 25489 3822 1 7 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.234 0.137 25489 3823 1 7 . 1 1 109 109 VAL H H 109 8.762 8.762 8.672 0.090 25489 3824 1 7 . 1 1 110 110 SER N N 110 112.949 112.949 114.930 -1.981 25489 3825 1 7 . 1 1 110 110 SER HA H 110 4.270 4.270 3.573 0.697 25489 3826 1 7 . 1 1 110 110 SER H H 110 7.605 7.605 7.646 -0.041 25489 3827 1 7 . 1 1 111 111 LYS N N 111 122.434 122.434 121.119 1.315 25489 3828 1 7 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.876 0.166 25489 3829 1 7 . 1 1 111 111 LYS H H 111 8.146 8.146 7.713 0.433 25489 3830 1 7 . 1 1 112 112 ALA N N 112 124.099 124.099 122.313 1.786 25489 3831 1 7 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.551 0.526 25489 3832 1 7 . 1 1 112 112 ALA H H 112 8.270 8.270 7.074 1.196 25489 3833 1 7 . 1 1 113 113 LEU N N 113 116.251 116.251 117.523 -1.272 25489 3834 1 7 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.538 0.184 25489 3835 1 7 . 1 1 113 113 LEU H H 113 8.019 8.019 7.687 0.332 25489 3836 1 7 . 1 1 114 114 ASN N N 114 116.659 116.659 117.570 -0.911 25489 3837 1 7 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.736 -0.207 25489 3838 1 7 . 1 1 114 114 ASN H H 114 8.197 8.197 8.185 0.012 25489 3839 1 7 . 1 1 115 115 MET N N 115 122.118 122.118 119.465 2.653 25489 3840 1 7 . 1 1 115 115 MET HA H 115 4.013 4.013 4.253 -0.240 25489 3841 1 7 . 1 1 115 115 MET H H 115 7.918 7.918 7.699 0.219 25489 3842 1 7 . 1 1 116 116 TRP N N 116 117.117 117.117 118.097 -0.980 25489 3843 1 7 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.319 0.191 25489 3844 1 7 . 1 1 116 116 TRP H H 116 6.773 6.773 7.970 -1.197 25489 3845 1 7 . 1 1 117 117 GLY N N 117 104.656 104.656 103.068 1.588 25489 3846 1 7 . 1 1 117 117 GLY H H 117 9.305 9.305 8.197 1.108 25489 3847 1 7 . 1 1 118 118 LYS N N 118 118.567 118.567 119.151 -0.584 25489 3848 1 7 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.389 -0.212 25489 3849 1 7 . 1 1 118 118 LYS H H 118 7.947 7.947 7.299 0.648 25489 3850 1 7 . 1 1 119 119 GLU N N 119 113.899 113.899 117.479 -3.580 25489 3851 1 7 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.517 0.291 25489 3852 1 7 . 1 1 119 119 GLU H H 119 7.773 7.773 7.669 0.104 25489 3853 1 7 . 1 1 120 120 ILE N N 120 111.215 111.215 121.659 -10.444 25489 3854 1 7 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.760 0.561 25489 3855 1 7 . 1 1 120 120 ILE H H 120 7.528 7.528 8.243 -0.715 25489 3856 1 7 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.575 0.046 25489 3857 1 7 . 1 1 122 122 LEU N N 122 121.481 121.481 119.428 2.053 25489 3858 1 7 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.588 -0.296 25489 3859 1 7 . 1 1 122 122 LEU H H 122 6.815 6.815 7.582 -0.767 25489 3860 1 7 . 1 1 123 123 HIS N N 123 120.769 120.769 120.099 0.670 25489 3861 1 7 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.729 -0.137 25489 3862 1 7 . 1 1 123 123 HIS H H 123 7.709 7.709 8.411 -0.702 25489 3863 1 7 . 1 1 124 124 PHE N N 124 120.530 120.530 120.864 -0.334 25489 3864 1 7 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.013 0.799 25489 3865 1 7 . 1 1 124 124 PHE H H 124 8.306 8.306 7.688 0.618 25489 3866 1 7 . 1 1 125 125 ARG N N 125 123.891 123.891 123.654 0.237 25489 3867 1 7 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.680 -0.027 25489 3868 1 7 . 1 1 125 125 ARG H H 125 8.408 8.408 8.899 -0.491 25489 3869 1 7 . 1 1 126 126 LYS N N 126 130.178 130.178 125.768 4.410 25489 3870 1 7 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.846 -0.485 25489 3871 1 7 . 1 1 126 126 LYS H H 126 8.468 8.468 8.606 -0.138 25489 3872 1 7 . 1 1 127 127 VAL N N 127 125.180 125.180 127.551 -2.371 25489 3873 1 7 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.397 0.111 25489 3874 1 7 . 1 1 127 127 VAL H H 127 8.679 8.679 8.230 0.449 25489 3875 1 7 . 1 1 128 128 VAL N N 128 117.584 117.584 118.769 -1.185 25489 3876 1 7 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.442 -0.156 25489 3877 1 7 . 1 1 128 128 VAL H H 128 8.469 8.469 8.391 0.078 25489 3878 1 7 . 1 1 129 129 TRP N N 129 119.805 119.805 121.552 -1.747 25489 3879 1 7 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.680 0.006 25489 3880 1 7 . 1 1 129 129 TRP H H 129 7.447 7.447 7.694 -0.247 25489 3881 1 7 . 1 1 130 130 GLY N N 130 109.844 109.844 115.506 -5.662 25489 3882 1 7 . 1 1 130 130 GLY H H 130 8.072 8.072 8.153 -0.081 25489 3883 1 7 . 1 1 131 131 THR N N 131 116.125 116.125 113.867 2.258 25489 3884 1 7 . 1 1 131 131 THR HA H 131 4.123 4.123 4.405 -0.282 25489 3885 1 7 . 1 1 131 131 THR H H 131 8.196 8.196 8.239 -0.043 25489 3886 1 7 . 1 1 132 132 ALA N N 132 129.613 129.613 130.341 -0.728 25489 3887 1 7 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.476 0.035 25489 3888 1 7 . 1 1 132 132 ALA H H 132 7.919 7.919 8.354 -0.435 25489 3889 1 7 . 1 1 133 133 ASP N N 133 123.004 123.004 121.433 1.571 25489 3890 1 7 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.656 -0.214 25489 3891 1 7 . 1 1 133 133 ASP H H 133 8.248 8.248 8.543 -0.295 25489 3892 1 7 . 1 1 134 134 ILE N N 134 125.478 125.478 122.614 2.864 25489 3893 1 7 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.214 -0.121 25489 3894 1 7 . 1 1 134 134 ILE H H 134 8.804 8.804 8.511 0.293 25489 3895 1 7 . 1 1 135 135 MET N N 135 127.471 127.471 127.915 -0.444 25489 3896 1 7 . 1 1 135 135 MET HA H 135 5.194 5.194 5.292 -0.098 25489 3897 1 7 . 1 1 135 135 MET H H 135 7.437 7.437 8.114 -0.677 25489 3898 1 7 . 1 1 136 136 ILE N N 136 125.040 125.040 123.846 1.194 25489 3899 1 7 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.788 0.789 25489 3900 1 7 . 1 1 136 136 ILE H H 136 9.085 9.085 8.330 0.755 25489 3901 1 7 . 1 1 137 137 GLY N N 137 112.059 112.059 113.333 -1.274 25489 3902 1 7 . 1 1 137 137 GLY H H 137 8.568 8.568 8.109 0.459 25489 3903 1 7 . 1 1 138 138 PHE N N 138 119.447 119.447 120.540 -1.093 25489 3904 1 7 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.694 -0.240 25489 3905 1 7 . 1 1 138 138 PHE H H 138 7.861 7.861 8.156 -0.295 25489 3906 1 7 . 1 1 139 139 ALA N N 139 123.657 123.657 125.318 -1.661 25489 3907 1 7 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.674 0.061 25489 3908 1 7 . 1 1 139 139 ALA H H 139 8.939 8.939 8.674 0.265 25489 3909 1 7 . 1 1 140 140 ARG N N 140 118.688 118.688 120.099 -1.411 25489 3910 1 7 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.625 0.449 25489 3911 1 7 . 1 1 140 140 ARG H H 140 8.563 8.563 8.555 0.008 25489 3912 1 7 . 1 1 141 141 GLY N N 141 108.964 108.964 106.156 2.808 25489 3913 1 7 . 1 1 141 141 GLY H H 141 9.018 9.018 8.297 0.721 25489 3914 1 7 . 1 1 143 143 HIS N N 143 120.218 120.218 112.657 7.561 25489 3915 1 7 . 1 1 143 143 HIS H H 143 8.998 8.998 7.562 1.436 25489 3916 1 7 . 1 1 145 145 ASP N N 145 117.684 117.684 119.258 -1.574 25489 3917 1 7 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.457 0.243 25489 3918 1 7 . 1 1 145 145 ASP H H 145 7.088 7.088 8.668 -1.580 25489 3919 1 7 . 1 1 146 146 SER HA H 146 4.140 4.140 4.552 -0.412 25489 3920 1 7 . 1 1 146 146 SER H H 146 8.220 8.220 7.304 0.916 25489 3921 1 7 . 1 1 147 147 TYR N N 147 120.867 120.867 123.146 -2.279 25489 3922 1 7 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.221 0.567 25489 3923 1 7 . 1 1 147 147 TYR H H 147 7.459 7.459 8.894 -1.435 25489 3924 1 7 . 1 1 149 149 PHE N N 149 120.630 120.630 118.821 1.809 25489 3925 1 7 . 1 1 149 149 PHE H H 149 8.018 8.018 8.674 -0.656 25489 3926 1 7 . 1 1 150 150 ASP N N 150 115.626 115.626 114.026 1.600 25489 3927 1 7 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.476 0.367 25489 3928 1 7 . 1 1 150 150 ASP H H 150 7.543 7.543 7.788 -0.245 25489 3929 1 7 . 1 1 151 151 GLY N N 151 110.700 110.700 107.732 2.968 25489 3930 1 7 . 1 1 151 151 GLY H H 151 9.074 9.074 8.467 0.607 25489 3931 1 7 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.645 -0.619 25489 3932 1 7 . 1 1 153 153 GLY N N 153 118.786 118.786 116.021 2.765 25489 3933 1 7 . 1 1 153 153 GLY H H 153 11.385 11.385 8.026 3.359 25489 3934 1 7 . 1 1 154 154 ASN N N 154 120.613 120.613 124.593 -3.980 25489 3935 1 7 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.284 -0.086 25489 3936 1 7 . 1 1 154 154 ASN H H 154 9.225 9.225 8.574 0.651 25489 3937 1 7 . 1 1 155 155 THR N N 155 118.700 118.700 115.933 2.767 25489 3938 1 7 . 1 1 155 155 THR HA H 155 5.542 5.542 4.097 1.445 25489 3939 1 7 . 1 1 155 155 THR H H 155 9.519 9.519 8.694 0.825 25489 3940 1 7 . 1 1 156 156 LEU N N 156 122.765 122.765 124.747 -1.982 25489 3941 1 7 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.650 0.292 25489 3942 1 7 . 1 1 156 156 LEU H H 156 8.500 8.500 8.768 -0.268 25489 3943 1 7 . 1 1 157 157 ALA N N 157 115.545 115.545 117.302 -1.757 25489 3944 1 7 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.849 0.158 25489 3945 1 7 . 1 1 157 157 ALA H H 157 7.545 7.545 7.585 -0.040 25489 3946 1 7 . 1 1 158 158 HIS N N 158 111.868 111.868 115.400 -3.532 25489 3947 1 7 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.934 -0.317 25489 3948 1 7 . 1 1 158 158 HIS H H 158 8.774 8.774 8.716 0.058 25489 3949 1 7 . 1 1 159 159 ALA N N 159 118.565 118.565 122.621 -4.056 25489 3950 1 7 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.555 0.102 25489 3951 1 7 . 1 1 159 159 ALA H H 159 6.114 6.114 8.168 -2.054 25489 3952 1 7 . 1 1 160 160 PHE N N 160 118.042 118.042 120.124 -2.082 25489 3953 1 7 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.453 0.028 25489 3954 1 7 . 1 1 160 160 PHE H H 160 7.897 7.897 8.174 -0.277 25489 3955 1 7 . 1 1 161 161 ALA N N 161 123.548 123.548 122.506 1.042 25489 3956 1 7 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.654 -0.171 25489 3957 1 7 . 1 1 161 161 ALA H H 161 8.089 8.089 8.505 -0.416 25489 3958 1 7 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.535 -1.664 25489 3959 1 7 . 1 1 163 163 GLY N N 163 107.255 107.255 110.007 -2.752 25489 3960 1 7 . 1 1 163 163 GLY H H 163 5.992 5.992 7.666 -1.674 25489 3961 1 7 . 1 1 165 165 GLY H H 165 9.149 9.149 8.049 1.100 25489 3962 1 7 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.196 -0.043 25489 3963 1 7 . 1 1 167 167 GLY N N 167 103.338 103.338 104.088 -0.750 25489 3964 1 7 . 1 1 167 167 GLY H H 167 7.774 7.774 7.273 0.501 25489 3965 1 7 . 1 1 168 168 GLY N N 168 121.031 121.031 111.089 9.942 25489 3966 1 7 . 1 1 168 168 GLY H H 168 7.685 7.685 7.928 -0.243 25489 3967 1 7 . 1 1 169 169 ASP N N 169 123.703 123.703 121.594 2.109 25489 3968 1 7 . 1 1 169 169 ASP H H 169 8.578 8.578 7.692 0.886 25489 3969 1 7 . 1 1 170 170 ALA N N 170 119.569 119.569 123.124 -3.555 25489 3970 1 7 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.894 -0.190 25489 3971 1 7 . 1 1 170 170 ALA H H 170 8.371 8.371 8.031 0.340 25489 3972 1 7 . 1 1 171 171 HIS N N 171 120.286 120.286 120.714 -0.428 25489 3973 1 7 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.161 0.569 25489 3974 1 7 . 1 1 171 171 HIS H H 171 8.513 8.513 8.474 0.039 25489 3975 1 7 . 1 1 172 172 PHE N N 172 120.919 120.919 125.217 -4.298 25489 3976 1 7 . 1 1 172 172 PHE H H 172 8.457 8.457 8.661 -0.204 25489 3977 1 7 . 1 1 173 173 ASP N N 173 123.993 123.993 124.068 -0.075 25489 3978 1 7 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.949 -1.053 25489 3979 1 7 . 1 1 173 173 ASP H H 173 7.915 7.915 8.827 -0.912 25489 3980 1 7 . 1 1 174 174 GLU N N 174 132.684 132.684 126.430 6.254 25489 3981 1 7 . 1 1 174 174 GLU H H 174 9.461 9.461 8.454 1.007 25489 3982 1 7 . 1 1 175 175 ASP N N 175 117.313 117.313 116.817 0.496 25489 3983 1 7 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.683 0.114 25489 3984 1 7 . 1 1 175 175 ASP H H 175 8.756 8.756 8.287 0.469 25489 3985 1 7 . 1 1 176 176 GLU N N 176 116.511 116.511 119.764 -3.253 25489 3986 1 7 . 1 1 176 176 GLU H H 176 7.154 7.154 7.704 -0.550 25489 3987 1 7 . 1 1 177 177 ARG N N 177 121.920 121.920 124.942 -3.022 25489 3988 1 7 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.376 0.249 25489 3989 1 7 . 1 1 177 177 ARG H H 177 7.555 7.555 8.481 -0.926 25489 3990 1 7 . 1 1 178 178 TRP N N 178 129.182 129.182 127.802 1.380 25489 3991 1 7 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.246 -0.133 25489 3992 1 7 . 1 1 178 178 TRP H H 178 8.788 8.788 8.299 0.489 25489 3993 1 7 . 1 1 179 179 THR N N 179 112.874 112.874 115.843 -2.969 25489 3994 1 7 . 1 1 179 179 THR HA H 179 5.015 5.015 4.686 0.329 25489 3995 1 7 . 1 1 179 179 THR H H 179 8.946 8.946 8.863 0.083 25489 3996 1 7 . 1 1 180 180 ASP N N 180 121.969 121.969 124.318 -2.349 25489 3997 1 7 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.823 -0.401 25489 3998 1 7 . 1 1 180 180 ASP H H 180 8.478 8.478 8.593 -0.115 25489 3999 1 7 . 1 1 181 181 GLY N N 181 110.059 110.059 108.154 1.905 25489 4000 1 7 . 1 1 181 181 GLY H H 181 8.572 8.572 8.555 0.017 25489 4001 1 7 . 1 1 182 182 SER N N 182 115.564 115.564 116.629 -1.065 25489 4002 1 7 . 1 1 182 182 SER HA H 182 4.599 4.599 4.367 0.232 25489 4003 1 7 . 1 1 182 182 SER H H 182 8.173 8.173 8.227 -0.054 25489 4004 1 7 . 1 1 183 183 SER N N 183 117.066 117.066 112.729 4.337 25489 4005 1 7 . 1 1 183 183 SER H H 183 7.819 7.819 8.597 -0.778 25489 4006 1 7 . 1 1 184 184 LEU N N 184 121.954 121.954 120.022 1.932 25489 4007 1 7 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.466 -0.104 25489 4008 1 7 . 1 1 184 184 LEU H H 184 8.104 8.104 8.258 -0.154 25489 4009 1 7 . 1 1 185 185 GLY N N 185 108.989 108.989 107.069 1.920 25489 4010 1 7 . 1 1 185 185 GLY H H 185 7.954 7.954 7.450 0.504 25489 4011 1 7 . 1 1 186 186 ILE N N 186 123.084 123.084 120.658 2.426 25489 4012 1 7 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.440 -0.661 25489 4013 1 7 . 1 1 186 186 ILE H H 186 8.878 8.878 8.500 0.378 25489 4014 1 7 . 1 1 187 187 ASN N N 187 126.999 126.999 124.721 2.278 25489 4015 1 7 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.877 -0.481 25489 4016 1 7 . 1 1 187 187 ASN H H 187 8.575 8.575 7.513 1.062 25489 4017 1 7 . 1 1 188 188 PHE N N 188 129.819 129.819 127.207 2.612 25489 4018 1 7 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.659 -0.068 25489 4019 1 7 . 1 1 188 188 PHE H H 188 9.365 9.365 8.208 1.157 25489 4020 1 7 . 1 1 189 189 LEU N N 189 119.292 119.292 122.161 -2.869 25489 4021 1 7 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.601 0.232 25489 4022 1 7 . 1 1 189 189 LEU H H 189 8.551 8.551 8.135 0.416 25489 4023 1 7 . 1 1 191 191 ALA N N 191 120.347 120.347 120.202 0.145 25489 4024 1 7 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.650 -0.353 25489 4025 1 7 . 1 1 191 191 ALA H H 191 7.973 7.973 8.161 -0.188 25489 4026 1 7 . 1 1 192 192 ALA N N 192 121.365 121.365 121.160 0.205 25489 4027 1 7 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.853 0.164 25489 4028 1 7 . 1 1 192 192 ALA H H 192 9.258 9.258 8.259 0.999 25489 4029 1 7 . 1 1 193 193 THR N N 193 117.027 117.027 111.114 5.913 25489 4030 1 7 . 1 1 193 193 THR HA H 193 3.825 3.825 3.278 0.547 25489 4031 1 7 . 1 1 193 193 THR H H 193 8.209 8.209 7.300 0.909 25489 4032 1 7 . 1 1 194 194 HIS N N 194 120.231 120.231 122.406 -2.175 25489 4033 1 7 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.108 0.125 25489 4034 1 7 . 1 1 194 194 HIS H H 194 7.805 7.805 7.530 0.275 25489 4035 1 7 . 1 1 195 195 ALA N N 195 121.346 121.346 119.209 2.137 25489 4036 1 7 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.044 0.136 25489 4037 1 7 . 1 1 195 195 ALA H H 195 8.693 8.693 7.605 1.088 25489 4038 1 7 . 1 1 196 196 LEU N N 196 114.951 114.951 116.099 -1.148 25489 4039 1 7 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.407 -0.249 25489 4040 1 7 . 1 1 196 196 LEU H H 196 8.714 8.714 7.511 1.203 25489 4041 1 7 . 1 1 197 197 GLY N N 197 107.954 107.954 107.623 0.331 25489 4042 1 7 . 1 1 197 197 GLY H H 197 7.540 7.540 7.855 -0.315 25489 4043 1 7 . 1 1 198 198 HIS N N 198 121.996 121.996 118.710 3.286 25489 4044 1 7 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.509 0.300 25489 4045 1 7 . 1 1 198 198 HIS H H 198 7.205 7.205 7.187 0.018 25489 4046 1 7 . 1 1 199 199 SER N N 199 118.570 118.570 114.293 4.277 25489 4047 1 7 . 1 1 199 199 SER HA H 199 4.448 4.448 4.349 0.099 25489 4048 1 7 . 1 1 199 199 SER H H 199 7.886 7.886 8.067 -0.181 25489 4049 1 7 . 1 1 200 200 LEU N N 200 114.779 114.779 118.527 -3.748 25489 4050 1 7 . 1 1 200 200 LEU H H 200 7.106 7.106 7.773 -0.667 25489 4051 1 7 . 1 1 201 201 GLY N N 201 108.350 108.350 105.430 2.920 25489 4052 1 7 . 1 1 201 201 GLY H H 201 8.213 8.213 7.710 0.503 25489 4053 1 7 . 1 1 202 202 MET N N 202 119.623 119.623 119.295 0.328 25489 4054 1 7 . 1 1 202 202 MET HA H 202 4.484 4.484 4.563 -0.079 25489 4055 1 7 . 1 1 202 202 MET H H 202 8.189 8.189 8.043 0.146 25489 4056 1 7 . 1 1 203 203 GLY N N 203 109.770 109.770 109.490 0.280 25489 4057 1 7 . 1 1 203 203 GLY H H 203 8.413 8.413 8.486 -0.073 25489 4058 1 7 . 1 1 204 204 HIS N N 204 115.793 115.793 118.570 -2.777 25489 4059 1 7 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.777 0.597 25489 4060 1 7 . 1 1 204 204 HIS H H 204 8.383 8.383 8.470 -0.087 25489 4061 1 7 . 1 1 205 205 SER N N 205 115.497 115.497 115.130 0.367 25489 4062 1 7 . 1 1 205 205 SER HA H 205 4.721 4.721 4.585 0.136 25489 4063 1 7 . 1 1 205 205 SER H H 205 7.223 7.223 8.160 -0.937 25489 4064 1 7 . 1 1 206 206 SER N N 206 119.268 119.268 118.882 0.386 25489 4065 1 7 . 1 1 206 206 SER HA H 206 3.721 3.721 4.250 -0.529 25489 4066 1 7 . 1 1 206 206 SER H H 206 8.290 8.290 8.542 -0.252 25489 4067 1 7 . 1 1 207 207 ASP N N 207 126.656 126.656 124.006 2.650 25489 4068 1 7 . 1 1 207 207 ASP H H 207 8.541 8.541 7.733 0.808 25489 4069 1 7 . 1 1 209 209 ASN N N 209 115.911 115.911 115.735 0.176 25489 4070 1 7 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.644 -0.028 25489 4071 1 7 . 1 1 209 209 ASN H H 209 8.374 8.374 8.611 -0.237 25489 4072 1 7 . 1 1 210 210 ALA N N 210 124.929 124.929 122.149 2.780 25489 4073 1 7 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.457 -0.303 25489 4074 1 7 . 1 1 210 210 ALA H H 210 8.182 8.182 7.277 0.905 25489 4075 1 7 . 1 1 211 211 VAL N N 211 130.383 130.383 122.546 7.837 25489 4076 1 7 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.928 0.322 25489 4077 1 7 . 1 1 211 211 VAL H H 211 11.554 11.554 9.329 2.225 25489 4078 1 7 . 1 1 212 212 MET N N 212 113.319 113.319 118.065 -4.746 25489 4079 1 7 . 1 1 212 212 MET H H 212 7.741 7.741 8.235 -0.494 25489 4080 1 7 . 1 1 213 213 TYR N N 213 130.006 130.006 122.489 7.517 25489 4081 1 7 . 1 1 213 213 TYR H H 213 7.899 7.899 7.668 0.231 25489 4082 1 7 . 1 1 215 215 THR N N 215 104.747 104.747 110.155 -5.408 25489 4083 1 7 . 1 1 215 215 THR HA H 215 4.404 4.404 4.413 -0.009 25489 4084 1 7 . 1 1 215 215 THR H H 215 6.402 6.402 7.429 -1.027 25489 4085 1 7 . 1 1 216 216 TYR N N 216 124.699 124.699 126.047 -1.348 25489 4086 1 7 . 1 1 216 216 TYR H H 216 8.341 8.341 8.695 -0.354 25489 4087 1 7 . 1 1 217 217 GLY N N 217 116.288 116.288 113.629 2.659 25489 4088 1 7 . 1 1 217 217 GLY H H 217 7.685 7.685 7.427 0.258 25489 4089 1 7 . 1 1 218 218 ASN N N 218 119.920 119.920 116.730 3.190 25489 4090 1 7 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.476 0.144 25489 4091 1 7 . 1 1 218 218 ASN H H 218 8.221 8.221 8.256 -0.035 25489 4092 1 7 . 1 1 219 219 GLY N N 219 109.601 109.601 106.099 3.502 25489 4093 1 7 . 1 1 219 219 GLY H H 219 8.072 8.072 7.548 0.524 25489 4094 1 7 . 1 1 220 220 ASP N N 220 123.006 123.006 122.268 0.738 25489 4095 1 7 . 1 1 220 220 ASP H H 220 8.280 8.280 8.196 0.084 25489 4096 1 7 . 1 1 222 222 GLN N N 222 116.642 116.642 122.625 -5.983 25489 4097 1 7 . 1 1 222 222 GLN H H 222 8.215 8.215 8.759 -0.544 25489 4098 1 7 . 1 1 223 223 ASN N N 223 118.361 118.361 115.966 2.395 25489 4099 1 7 . 1 1 223 223 ASN H H 223 7.970 7.970 8.112 -0.142 25489 4100 1 7 . 1 1 225 225 LYS N N 225 122.215 122.215 126.505 -4.290 25489 4101 1 7 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.647 -0.231 25489 4102 1 7 . 1 1 225 225 LYS H H 225 7.656 7.656 7.910 -0.254 25489 4103 1 7 . 1 1 226 226 LEU N N 226 119.165 119.165 124.303 -5.138 25489 4104 1 7 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.494 -0.406 25489 4105 1 7 . 1 1 226 226 LEU H H 226 7.984 7.984 8.569 -0.585 25489 4106 1 7 . 1 1 227 227 SER N N 227 120.520 120.520 117.021 3.499 25489 4107 1 7 . 1 1 227 227 SER HA H 227 4.676 4.676 4.607 0.069 25489 4108 1 7 . 1 1 227 227 SER H H 227 9.646 9.646 9.139 0.507 25489 4109 1 7 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.002 0.672 25489 4110 1 7 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.275 0.099 25489 4111 1 7 . 1 1 229 229 ASP H H 229 8.113 8.113 8.617 -0.504 25489 4112 1 7 . 1 1 230 230 ASP N N 230 119.878 119.878 118.492 1.386 25489 4113 1 7 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.445 -0.107 25489 4114 1 7 . 1 1 230 230 ASP H H 230 7.397 7.397 7.640 -0.243 25489 4115 1 7 . 1 1 231 231 ILE N N 231 120.389 120.389 121.386 -0.997 25489 4116 1 7 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.512 0.143 25489 4117 1 7 . 1 1 231 231 ILE H H 231 8.100 8.100 7.791 0.309 25489 4118 1 7 . 1 1 232 232 LYS N N 232 119.084 119.084 118.729 0.355 25489 4119 1 7 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.951 0.144 25489 4120 1 7 . 1 1 232 232 LYS H H 232 8.581 8.581 8.365 0.216 25489 4121 1 7 . 1 1 233 233 GLY N N 233 106.424 106.424 106.271 0.153 25489 4122 1 7 . 1 1 233 233 GLY H H 233 8.061 8.061 7.199 0.862 25489 4123 1 7 . 1 1 234 234 ILE N N 234 125.166 125.166 120.038 5.128 25489 4124 1 7 . 1 1 234 234 ILE H H 234 8.517 8.517 7.438 1.079 25489 4125 1 7 . 1 1 235 235 GLN N N 235 122.969 122.969 120.540 2.429 25489 4126 1 7 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.219 0.162 25489 4127 1 7 . 1 1 235 235 GLN H H 235 8.291 8.291 7.934 0.357 25489 4128 1 7 . 1 1 236 236 LYS N N 236 123.770 123.770 119.563 4.207 25489 4129 1 7 . 1 1 236 236 LYS H H 236 8.035 8.035 8.028 0.007 25489 4130 1 7 . 1 1 237 237 LEU N N 237 116.854 116.854 118.314 -1.460 25489 4131 1 7 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.178 -0.219 25489 4132 1 7 . 1 1 237 237 LEU H H 237 6.886 6.886 7.780 -0.894 25489 4133 1 7 . 1 1 238 238 TYR N N 238 112.132 112.132 118.838 -6.706 25489 4134 1 7 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.515 0.111 25489 4135 1 7 . 1 1 238 238 TYR H H 238 7.459 7.459 7.558 -0.099 25489 4136 1 7 . 1 1 239 239 GLY N N 239 110.898 110.898 107.132 3.766 25489 4137 1 7 . 1 1 239 239 GLY H H 239 8.442 8.442 7.361 1.081 25489 4138 1 7 . 1 1 240 240 LYS N N 240 114.400 114.400 121.305 -6.905 25489 4139 1 7 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.515 0.289 25489 4140 1 7 . 1 1 240 240 LYS H H 240 7.865 7.865 8.478 -0.613 25489 4141 1 7 . 1 1 241 241 ARG N N 241 123.851 123.851 123.171 0.680 25489 4142 1 7 . 1 1 241 241 ARG H H 241 7.760 7.760 8.568 -0.808 25489 4143 1 7 . 1 1 242 242 SER N N 242 135.647 135.647 117.373 18.274 25489 4144 1 7 . 1 1 242 242 SER H H 242 9.158 9.158 8.501 0.657 25489 4145 1 8 . 1 1 3 3 GLU N N 3 121.690 121.690 122.836 -1.146 25489 4146 1 8 . 1 1 3 3 GLU H H 3 8.332 8.332 8.992 -0.660 25489 4147 1 8 . 1 1 4 4 ALA N N 4 124.526 124.526 120.395 4.131 25489 4148 1 8 . 1 1 4 4 ALA H H 4 8.111 8.111 8.376 -0.265 25489 4149 1 8 . 1 1 5 5 GLY N N 5 108.229 108.229 104.028 4.201 25489 4150 1 8 . 1 1 5 5 GLY H H 5 8.286 8.286 7.852 0.434 25489 4151 1 8 . 1 1 6 6 GLY N N 6 108.867 108.867 108.990 -0.123 25489 4152 1 8 . 1 1 6 6 GLY H H 6 8.239 8.239 7.647 0.592 25489 4153 1 8 . 1 1 7 7 MET N N 7 119.984 119.984 121.126 -1.142 25489 4154 1 8 . 1 1 7 7 MET H H 7 8.044 8.044 7.378 0.666 25489 4155 1 8 . 1 1 8 8 SER N N 8 118.771 118.771 120.454 -1.683 25489 4156 1 8 . 1 1 8 8 SER HA H 8 4.239 4.239 4.704 -0.465 25489 4157 1 8 . 1 1 8 8 SER H H 8 8.738 8.738 8.632 0.106 25489 4158 1 8 . 1 1 9 9 GLU N N 9 122.551 122.551 127.437 -4.886 25489 4159 1 8 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.286 -0.034 25489 4160 1 8 . 1 1 9 9 GLU H H 9 8.919 8.919 9.175 -0.256 25489 4161 1 8 . 1 1 10 10 LEU N N 10 120.638 120.638 120.859 -0.221 25489 4162 1 8 . 1 1 10 10 LEU H H 10 8.017 8.017 7.399 0.618 25489 4163 1 8 . 1 1 11 11 GLN N N 11 119.889 119.889 117.934 1.955 25489 4164 1 8 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.147 -0.013 25489 4165 1 8 . 1 1 11 11 GLN H H 11 7.807 7.807 7.685 0.122 25489 4166 1 8 . 1 1 12 12 TRP N N 12 120.951 120.951 122.049 -1.098 25489 4167 1 8 . 1 1 12 12 TRP H H 12 8.202 8.202 7.917 0.285 25489 4168 1 8 . 1 1 13 13 GLU N N 13 121.870 121.870 117.363 4.507 25489 4169 1 8 . 1 1 13 13 GLU H H 13 8.436 8.436 7.932 0.504 25489 4170 1 8 . 1 1 14 14 GLN N N 14 120.646 120.646 117.214 3.432 25489 4171 1 8 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.924 0.245 25489 4172 1 8 . 1 1 14 14 GLN H H 14 8.159 8.159 7.234 0.925 25489 4173 1 8 . 1 1 15 15 ALA N N 15 123.216 123.216 123.744 -0.528 25489 4174 1 8 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.916 0.422 25489 4175 1 8 . 1 1 15 15 ALA H H 15 8.355 8.355 8.334 0.021 25489 4176 1 8 . 1 1 16 16 GLN N N 16 117.766 117.766 115.535 2.231 25489 4177 1 8 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.827 -0.122 25489 4178 1 8 . 1 1 16 16 GLN H H 16 8.440 8.440 8.047 0.393 25489 4179 1 8 . 1 1 17 17 ASP N N 17 120.090 120.090 120.489 -0.399 25489 4180 1 8 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.392 0.071 25489 4181 1 8 . 1 1 17 17 ASP H H 17 7.899 7.899 7.244 0.655 25489 4182 1 8 . 1 1 18 18 TYR N N 18 122.296 122.296 119.298 2.998 25489 4183 1 8 . 1 1 18 18 TYR H H 18 8.264 8.264 8.425 -0.161 25489 4184 1 8 . 1 1 19 19 LEU N N 19 117.675 117.675 120.951 -3.276 25489 4185 1 8 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.077 0.048 25489 4186 1 8 . 1 1 19 19 LEU H H 19 8.687 8.687 8.437 0.250 25489 4187 1 8 . 1 1 20 20 LYS N N 20 124.620 124.620 116.660 7.960 25489 4188 1 8 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.077 0.066 25489 4189 1 8 . 1 1 20 20 LYS H H 20 8.790 8.790 7.921 0.869 25489 4190 1 8 . 1 1 21 21 ARG N N 21 117.608 117.608 116.934 0.674 25489 4191 1 8 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.271 -0.574 25489 4192 1 8 . 1 1 21 21 ARG H H 21 7.835 7.835 7.576 0.259 25489 4193 1 8 . 1 1 22 22 PHE N N 22 112.136 112.136 119.110 -6.974 25489 4194 1 8 . 1 1 22 22 PHE H H 22 8.003 8.003 7.649 0.354 25489 4195 1 8 . 1 1 23 23 TYR N N 23 116.244 116.244 115.478 0.766 25489 4196 1 8 . 1 1 23 23 TYR H H 23 7.678 7.678 8.140 -0.462 25489 4197 1 8 . 1 1 24 24 LEU N N 24 115.582 115.582 114.774 0.808 25489 4198 1 8 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.464 -0.329 25489 4199 1 8 . 1 1 24 24 LEU H H 24 7.238 7.238 7.791 -0.553 25489 4200 1 8 . 1 1 25 25 TYR N N 25 119.996 119.996 122.841 -2.845 25489 4201 1 8 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.650 -0.245 25489 4202 1 8 . 1 1 25 25 TYR H H 25 7.826 7.826 8.537 -0.711 25489 4203 1 8 . 1 1 26 26 ASP N N 26 129.292 129.292 128.060 1.232 25489 4204 1 8 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.731 -0.270 25489 4205 1 8 . 1 1 26 26 ASP H H 26 8.121 8.121 8.240 -0.119 25489 4206 1 8 . 1 1 28 28 GLU N N 28 122.115 122.115 121.231 0.884 25489 4207 1 8 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.152 0.129 25489 4208 1 8 . 1 1 28 28 GLU H H 28 8.262 8.262 8.271 -0.009 25489 4209 1 8 . 1 1 29 29 THR N N 29 114.171 114.171 114.554 -0.383 25489 4210 1 8 . 1 1 29 29 THR HA H 29 4.222 4.222 4.084 0.138 25489 4211 1 8 . 1 1 29 29 THR H H 29 7.496 7.496 8.169 -0.673 25489 4212 1 8 . 1 1 30 30 LYS N N 30 123.019 123.019 122.553 0.466 25489 4213 1 8 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.058 0.160 25489 4214 1 8 . 1 1 30 30 LYS H H 30 8.154 8.154 7.484 0.670 25489 4215 1 8 . 1 1 32 32 ALA N N 32 126.481 126.481 126.078 0.403 25489 4216 1 8 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.252 -0.002 25489 4217 1 8 . 1 1 32 32 ALA H H 32 8.424 8.424 8.791 -0.367 25489 4218 1 8 . 1 1 33 33 ASN N N 33 116.834 116.834 116.295 0.539 25489 4219 1 8 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.528 0.170 25489 4220 1 8 . 1 1 33 33 ASN H H 33 8.312 8.312 8.453 -0.141 25489 4221 1 8 . 1 1 34 34 SER N N 34 116.960 116.960 116.700 0.260 25489 4222 1 8 . 1 1 34 34 SER HA H 34 4.522 4.522 4.287 0.235 25489 4223 1 8 . 1 1 34 34 SER H H 34 8.112 8.112 7.921 0.191 25489 4224 1 8 . 1 1 35 35 LEU N N 35 125.335 125.335 122.664 2.671 25489 4225 1 8 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.075 -0.524 25489 4226 1 8 . 1 1 35 35 LEU H H 35 8.324 8.324 8.708 -0.384 25489 4227 1 8 . 1 1 36 36 GLU N N 36 119.302 119.302 119.621 -0.319 25489 4228 1 8 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.130 -0.187 25489 4229 1 8 . 1 1 36 36 GLU H H 36 8.239 8.239 8.042 0.197 25489 4230 1 8 . 1 1 37 37 ALA N N 37 120.683 120.683 120.775 -0.092 25489 4231 1 8 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.109 -0.062 25489 4232 1 8 . 1 1 37 37 ALA H H 37 7.898 7.898 7.989 -0.091 25489 4233 1 8 . 1 1 38 38 LYS N N 38 119.470 119.470 118.880 0.590 25489 4234 1 8 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.230 0.103 25489 4235 1 8 . 1 1 38 38 LYS H H 38 8.217 8.217 7.670 0.547 25489 4236 1 8 . 1 1 39 39 LEU N N 39 122.664 122.664 121.290 1.374 25489 4237 1 8 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.252 -0.338 25489 4238 1 8 . 1 1 39 39 LEU H H 39 8.658 8.658 8.584 0.074 25489 4239 1 8 . 1 1 40 40 LYS N N 40 118.301 118.301 119.513 -1.212 25489 4240 1 8 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.038 0.635 25489 4241 1 8 . 1 1 40 40 LYS H H 40 8.221 8.221 8.931 -0.710 25489 4242 1 8 . 1 1 41 41 GLU N N 41 121.462 121.462 120.716 0.746 25489 4243 1 8 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.115 -0.047 25489 4244 1 8 . 1 1 41 41 GLU H H 41 7.736 7.736 7.818 -0.082 25489 4245 1 8 . 1 1 42 42 MET N N 42 123.761 123.761 120.314 3.447 25489 4246 1 8 . 1 1 42 42 MET HA H 42 4.046 4.046 4.346 -0.300 25489 4247 1 8 . 1 1 42 42 MET H H 42 7.672 7.672 8.255 -0.583 25489 4248 1 8 . 1 1 43 43 GLN N N 43 120.035 120.035 118.055 1.980 25489 4249 1 8 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.151 -0.355 25489 4250 1 8 . 1 1 43 43 GLN H H 43 8.904 8.904 8.595 0.309 25489 4251 1 8 . 1 1 44 44 LYS N N 44 119.131 119.131 121.330 -2.199 25489 4252 1 8 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.105 -0.053 25489 4253 1 8 . 1 1 44 44 LYS H H 44 8.511 8.511 7.845 0.666 25489 4254 1 8 . 1 1 45 45 PHE N N 45 123.544 123.544 120.119 3.425 25489 4255 1 8 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.178 -0.328 25489 4256 1 8 . 1 1 45 45 PHE H H 45 8.438 8.438 8.472 -0.034 25489 4257 1 8 . 1 1 46 46 PHE N N 46 112.789 112.789 114.218 -1.429 25489 4258 1 8 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.552 0.030 25489 4259 1 8 . 1 1 46 46 PHE H H 46 8.273 8.273 7.874 0.399 25489 4260 1 8 . 1 1 47 47 GLY N N 47 110.408 110.408 106.046 4.362 25489 4261 1 8 . 1 1 47 47 GLY H H 47 7.922 7.922 7.700 0.222 25489 4262 1 8 . 1 1 48 48 LEU N N 48 121.853 121.853 122.600 -0.747 25489 4263 1 8 . 1 1 48 48 LEU H H 48 8.747 8.747 7.959 0.788 25489 4264 1 8 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.272 -0.071 25489 4265 1 8 . 1 1 50 50 ILE N N 50 127.000 127.000 120.459 6.541 25489 4266 1 8 . 1 1 50 50 ILE H H 50 8.529 8.529 7.737 0.792 25489 4267 1 8 . 1 1 51 51 THR N N 51 116.519 116.519 117.151 -0.632 25489 4268 1 8 . 1 1 51 51 THR H H 51 7.980 7.980 8.140 -0.160 25489 4269 1 8 . 1 1 52 52 GLY N N 52 112.725 112.725 113.095 -0.370 25489 4270 1 8 . 1 1 52 52 GLY H H 52 9.483 9.483 9.662 -0.179 25489 4271 1 8 . 1 1 53 53 MET N N 53 116.735 116.735 119.772 -3.037 25489 4272 1 8 . 1 1 53 53 MET HA H 53 4.044 4.044 4.938 -0.894 25489 4273 1 8 . 1 1 53 53 MET H H 53 7.969 7.969 7.650 0.319 25489 4274 1 8 . 1 1 54 54 LEU N N 54 122.602 122.602 125.973 -3.371 25489 4275 1 8 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.632 -0.926 25489 4276 1 8 . 1 1 54 54 LEU H H 54 7.926 7.926 8.586 -0.660 25489 4277 1 8 . 1 1 55 55 ASN N N 55 115.755 115.755 121.050 -5.295 25489 4278 1 8 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.813 -0.073 25489 4279 1 8 . 1 1 55 55 ASN H H 55 6.555 6.555 8.805 -2.250 25489 4280 1 8 . 1 1 56 56 SER N N 56 121.450 121.450 115.178 6.272 25489 4281 1 8 . 1 1 56 56 SER HA H 56 4.662 4.662 4.431 0.231 25489 4282 1 8 . 1 1 56 56 SER H H 56 8.205 8.205 8.527 -0.322 25489 4283 1 8 . 1 1 57 57 ARG N N 57 123.219 123.219 122.724 0.495 25489 4284 1 8 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.099 0.107 25489 4285 1 8 . 1 1 57 57 ARG H H 57 7.883 7.883 8.693 -0.810 25489 4286 1 8 . 1 1 58 58 VAL N N 58 118.843 118.843 117.873 0.970 25489 4287 1 8 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.765 -0.465 25489 4288 1 8 . 1 1 58 58 VAL H H 58 7.594 7.594 8.106 -0.512 25489 4289 1 8 . 1 1 59 59 ILE N N 59 119.212 119.212 117.500 1.712 25489 4290 1 8 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.958 -0.489 25489 4291 1 8 . 1 1 59 59 ILE H H 59 7.326 7.326 7.431 -0.105 25489 4292 1 8 . 1 1 60 60 GLU N N 60 119.544 119.544 120.965 -1.421 25489 4293 1 8 . 1 1 60 60 GLU H H 60 7.880 7.880 8.071 -0.191 25489 4294 1 8 . 1 1 61 61 ILE N N 61 118.812 118.812 116.413 2.399 25489 4295 1 8 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.830 -0.388 25489 4296 1 8 . 1 1 61 61 ILE H H 61 7.217 7.217 7.444 -0.227 25489 4297 1 8 . 1 1 62 62 MET N N 62 120.202 120.202 117.531 2.671 25489 4298 1 8 . 1 1 62 62 MET HA H 62 3.419 3.419 4.043 -0.624 25489 4299 1 8 . 1 1 62 62 MET H H 62 7.820 7.820 7.172 0.648 25489 4300 1 8 . 1 1 63 63 GLN N N 63 116.274 116.274 116.531 -0.257 25489 4301 1 8 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.107 0.134 25489 4302 1 8 . 1 1 63 63 GLN H H 63 7.442 7.442 7.498 -0.056 25489 4303 1 8 . 1 1 64 64 LYS N N 64 121.450 121.450 119.972 1.478 25489 4304 1 8 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.378 0.121 25489 4305 1 8 . 1 1 64 64 LYS H H 64 7.474 7.474 7.901 -0.427 25489 4306 1 8 . 1 1 66 66 ARG N N 66 113.173 113.173 121.192 -8.019 25489 4307 1 8 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.716 -0.277 25489 4308 1 8 . 1 1 66 66 ARG H H 66 8.151 8.151 7.777 0.374 25489 4309 1 8 . 1 1 67 67 CYS N N 67 121.794 121.794 121.179 0.615 25489 4310 1 8 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.682 -0.262 25489 4311 1 8 . 1 1 67 67 CYS H H 67 7.709 7.709 9.017 -1.308 25489 4312 1 8 . 1 1 68 68 GLY N N 68 116.255 116.255 117.596 -1.341 25489 4313 1 8 . 1 1 68 68 GLY H H 68 9.707 9.707 9.080 0.627 25489 4314 1 8 . 1 1 69 69 VAL N N 69 126.541 126.541 115.295 11.246 25489 4315 1 8 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.775 -0.968 25489 4316 1 8 . 1 1 69 69 VAL H H 69 9.118 9.118 7.293 1.825 25489 4317 1 8 . 1 1 71 71 ASP N N 71 119.114 119.114 119.894 -0.780 25489 4318 1 8 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.602 -0.119 25489 4319 1 8 . 1 1 71 71 ASP H H 71 8.067 8.067 8.645 -0.578 25489 4320 1 8 . 1 1 72 72 VAL N N 72 112.988 112.988 117.355 -4.367 25489 4321 1 8 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.996 0.285 25489 4322 1 8 . 1 1 72 72 VAL H H 72 6.438 6.438 7.655 -1.217 25489 4323 1 8 . 1 1 73 73 ALA N N 73 125.902 125.902 129.101 -3.199 25489 4324 1 8 . 1 1 73 73 ALA HA H 73 4.267 4.267 3.936 0.331 25489 4325 1 8 . 1 1 73 73 ALA H H 73 8.171 8.171 6.611 1.560 25489 4326 1 8 . 1 1 74 74 GLU N N 74 120.835 120.835 124.112 -3.277 25489 4327 1 8 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.291 -0.208 25489 4328 1 8 . 1 1 74 74 GLU H H 74 8.385 8.385 8.159 0.226 25489 4329 1 8 . 1 1 75 75 TYR N N 75 121.820 121.820 120.884 0.936 25489 4330 1 8 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.773 -0.379 25489 4331 1 8 . 1 1 75 75 TYR H H 75 8.102 8.102 7.646 0.456 25489 4332 1 8 . 1 1 76 76 SER N N 76 117.881 117.881 119.184 -1.303 25489 4333 1 8 . 1 1 76 76 SER H H 76 7.718 7.718 8.791 -1.073 25489 4334 1 8 . 1 1 77 77 LEU N N 77 123.835 123.835 122.545 1.290 25489 4335 1 8 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.011 0.081 25489 4336 1 8 . 1 1 77 77 LEU H H 77 8.033 8.033 8.600 -0.567 25489 4337 1 8 . 1 1 78 78 PHE N N 78 118.893 118.893 123.078 -4.185 25489 4338 1 8 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.384 0.461 25489 4339 1 8 . 1 1 78 78 PHE H H 78 7.822 7.822 7.580 0.242 25489 4340 1 8 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.279 0.052 25489 4341 1 8 . 1 1 80 80 ASN N N 80 118.184 118.184 120.006 -1.822 25489 4342 1 8 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.780 -0.100 25489 4343 1 8 . 1 1 80 80 ASN H H 80 8.106 8.106 8.350 -0.244 25489 4344 1 8 . 1 1 81 81 SER HA H 81 4.636 4.636 5.001 -0.365 25489 4345 1 8 . 1 1 83 83 LYS N N 83 114.696 114.696 114.520 0.176 25489 4346 1 8 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.785 -0.562 25489 4347 1 8 . 1 1 83 83 LYS H H 83 7.361 7.361 7.648 -0.287 25489 4348 1 8 . 1 1 84 84 TRP N N 84 122.459 122.459 121.469 0.990 25489 4349 1 8 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.772 -0.769 25489 4350 1 8 . 1 1 84 84 TRP H H 84 8.020 8.020 8.528 -0.508 25489 4351 1 8 . 1 1 85 85 THR N N 85 113.482 113.482 117.073 -3.591 25489 4352 1 8 . 1 1 85 85 THR HA H 85 4.586 4.586 4.330 0.256 25489 4353 1 8 . 1 1 85 85 THR H H 85 8.833 8.833 7.838 0.995 25489 4354 1 8 . 1 1 86 86 SER N N 86 117.316 117.316 115.674 1.642 25489 4355 1 8 . 1 1 86 86 SER HA H 86 4.665 4.665 4.382 0.283 25489 4356 1 8 . 1 1 86 86 SER H H 86 7.724 7.724 6.811 0.913 25489 4357 1 8 . 1 1 87 87 LYS N N 87 120.411 120.411 122.610 -2.199 25489 4358 1 8 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.185 -0.046 25489 4359 1 8 . 1 1 87 87 LYS H H 87 8.312 8.312 8.715 -0.403 25489 4360 1 8 . 1 1 88 88 VAL N N 88 117.674 117.674 111.238 6.436 25489 4361 1 8 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.435 0.216 25489 4362 1 8 . 1 1 88 88 VAL H H 88 7.425 7.425 7.422 0.003 25489 4363 1 8 . 1 1 89 89 VAL N N 89 131.493 131.493 125.975 5.518 25489 4364 1 8 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.512 -0.371 25489 4365 1 8 . 1 1 89 89 VAL H H 89 8.574 8.574 8.944 -0.370 25489 4366 1 8 . 1 1 90 90 THR N N 90 118.245 118.245 119.352 -1.107 25489 4367 1 8 . 1 1 90 90 THR HA H 90 5.627 5.627 5.460 0.167 25489 4368 1 8 . 1 1 90 90 THR H H 90 9.021 9.021 8.294 0.727 25489 4369 1 8 . 1 1 91 91 TYR N N 91 118.267 118.267 119.509 -1.242 25489 4370 1 8 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.435 0.239 25489 4371 1 8 . 1 1 91 91 TYR H H 91 8.555 8.555 8.099 0.456 25489 4372 1 8 . 1 1 92 92 ARG N N 92 120.260 120.260 121.784 -1.524 25489 4373 1 8 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.815 -0.169 25489 4374 1 8 . 1 1 92 92 ARG H H 92 8.513 8.513 8.965 -0.452 25489 4375 1 8 . 1 1 93 93 ILE N N 93 128.361 128.361 126.819 1.542 25489 4376 1 8 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.598 0.021 25489 4377 1 8 . 1 1 93 93 ILE H H 93 8.878 8.878 8.985 -0.107 25489 4378 1 8 . 1 1 94 94 VAL N N 94 126.374 126.374 123.242 3.132 25489 4379 1 8 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.221 -0.221 25489 4380 1 8 . 1 1 94 94 VAL H H 94 9.492 9.492 8.093 1.399 25489 4381 1 8 . 1 1 95 95 SER N N 95 113.303 113.303 114.067 -0.764 25489 4382 1 8 . 1 1 95 95 SER HA H 95 4.705 4.705 4.711 -0.006 25489 4383 1 8 . 1 1 95 95 SER H H 95 7.431 7.431 7.477 -0.046 25489 4384 1 8 . 1 1 96 96 TYR N N 96 117.054 117.054 119.904 -2.850 25489 4385 1 8 . 1 1 96 96 TYR H H 96 8.255 8.255 8.087 0.168 25489 4386 1 8 . 1 1 98 98 ARG N N 98 128.445 128.445 126.482 1.963 25489 4387 1 8 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.424 -0.086 25489 4388 1 8 . 1 1 98 98 ARG H H 98 8.964 8.964 8.741 0.223 25489 4389 1 8 . 1 1 99 99 ASP N N 99 120.412 120.412 119.635 0.777 25489 4390 1 8 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.521 -0.186 25489 4391 1 8 . 1 1 99 99 ASP H H 99 8.695 8.695 7.657 1.038 25489 4392 1 8 . 1 1 100 100 LEU N N 100 116.851 116.851 119.171 -2.320 25489 4393 1 8 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.494 0.439 25489 4394 1 8 . 1 1 100 100 LEU H H 100 6.902 6.902 7.406 -0.504 25489 4395 1 8 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.936 0.231 25489 4396 1 8 . 1 1 103 103 ILE N N 103 115.469 115.469 114.658 0.811 25489 4397 1 8 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.909 0.264 25489 4398 1 8 . 1 1 103 103 ILE H H 103 8.296 8.296 7.981 0.315 25489 4399 1 8 . 1 1 104 104 THR N N 104 119.413 119.413 113.000 6.413 25489 4400 1 8 . 1 1 104 104 THR HA H 104 4.019 4.019 4.126 -0.107 25489 4401 1 8 . 1 1 104 104 THR H H 104 6.915 6.915 8.073 -1.159 25489 4402 1 8 . 1 1 105 105 VAL N N 105 123.232 123.232 122.290 0.942 25489 4403 1 8 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.510 -0.096 25489 4404 1 8 . 1 1 105 105 VAL H H 105 7.379 7.379 7.330 0.049 25489 4405 1 8 . 1 1 106 106 ASP N N 106 120.160 120.160 120.139 0.021 25489 4406 1 8 . 1 1 106 106 ASP H H 106 8.615 8.615 7.834 0.781 25489 4407 1 8 . 1 1 107 107 ARG N N 107 121.041 121.041 118.193 2.848 25489 4408 1 8 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.086 0.004 25489 4409 1 8 . 1 1 107 107 ARG H H 107 8.372 8.372 7.434 0.938 25489 4410 1 8 . 1 1 108 108 LEU N N 108 121.644 121.644 120.762 0.882 25489 4411 1 8 . 1 1 108 108 LEU HA H 108 4.253 4.253 3.962 0.291 25489 4412 1 8 . 1 1 108 108 LEU H H 108 8.768 8.768 8.244 0.524 25489 4413 1 8 . 1 1 109 109 VAL N N 109 120.347 120.347 119.108 1.239 25489 4414 1 8 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.331 0.040 25489 4415 1 8 . 1 1 109 109 VAL H H 109 8.762 8.762 7.881 0.881 25489 4416 1 8 . 1 1 110 110 SER N N 110 112.949 112.949 115.279 -2.330 25489 4417 1 8 . 1 1 110 110 SER HA H 110 4.270 4.270 3.608 0.662 25489 4418 1 8 . 1 1 110 110 SER H H 110 7.605 7.605 8.247 -0.642 25489 4419 1 8 . 1 1 111 111 LYS N N 111 122.434 122.434 121.347 1.087 25489 4420 1 8 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.778 0.264 25489 4421 1 8 . 1 1 111 111 LYS H H 111 8.146 8.146 8.174 -0.028 25489 4422 1 8 . 1 1 112 112 ALA N N 112 124.099 124.099 120.708 3.391 25489 4423 1 8 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.694 0.383 25489 4424 1 8 . 1 1 112 112 ALA H H 112 8.270 8.270 7.883 0.387 25489 4425 1 8 . 1 1 113 113 LEU N N 113 116.251 116.251 119.048 -2.797 25489 4426 1 8 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.631 0.091 25489 4427 1 8 . 1 1 113 113 LEU H H 113 8.019 8.019 7.760 0.259 25489 4428 1 8 . 1 1 114 114 ASN N N 114 116.659 116.659 116.959 -0.300 25489 4429 1 8 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.392 0.137 25489 4430 1 8 . 1 1 114 114 ASN H H 114 8.197 8.197 8.046 0.151 25489 4431 1 8 . 1 1 115 115 MET N N 115 122.118 122.118 120.638 1.480 25489 4432 1 8 . 1 1 115 115 MET HA H 115 4.013 4.013 4.121 -0.108 25489 4433 1 8 . 1 1 115 115 MET H H 115 7.918 7.918 7.882 0.036 25489 4434 1 8 . 1 1 116 116 TRP N N 116 117.117 117.117 117.799 -0.682 25489 4435 1 8 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.351 0.159 25489 4436 1 8 . 1 1 116 116 TRP H H 116 6.773 6.773 7.997 -1.224 25489 4437 1 8 . 1 1 117 117 GLY N N 117 104.656 104.656 105.580 -0.924 25489 4438 1 8 . 1 1 117 117 GLY H H 117 9.305 9.305 8.586 0.719 25489 4439 1 8 . 1 1 118 118 LYS N N 118 118.567 118.567 119.778 -1.211 25489 4440 1 8 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.212 -0.035 25489 4441 1 8 . 1 1 118 118 LYS H H 118 7.947 7.947 7.698 0.249 25489 4442 1 8 . 1 1 119 119 GLU N N 119 113.899 113.899 115.793 -1.894 25489 4443 1 8 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.559 0.249 25489 4444 1 8 . 1 1 119 119 GLU H H 119 7.773 7.773 7.724 0.049 25489 4445 1 8 . 1 1 120 120 ILE N N 120 111.215 111.215 122.478 -11.263 25489 4446 1 8 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.978 0.343 25489 4447 1 8 . 1 1 120 120 ILE H H 120 7.528 7.528 8.399 -0.871 25489 4448 1 8 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.556 0.065 25489 4449 1 8 . 1 1 122 122 LEU N N 122 121.481 121.481 118.857 2.624 25489 4450 1 8 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.481 -0.189 25489 4451 1 8 . 1 1 122 122 LEU H H 122 6.815 6.815 7.681 -0.866 25489 4452 1 8 . 1 1 123 123 HIS N N 123 120.769 120.769 118.754 2.015 25489 4453 1 8 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.682 -0.090 25489 4454 1 8 . 1 1 123 123 HIS H H 123 7.709 7.709 8.346 -0.637 25489 4455 1 8 . 1 1 124 124 PHE N N 124 120.530 120.530 123.500 -2.970 25489 4456 1 8 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.788 1.024 25489 4457 1 8 . 1 1 124 124 PHE H H 124 8.306 8.306 7.511 0.795 25489 4458 1 8 . 1 1 125 125 ARG N N 125 123.891 123.891 123.090 0.801 25489 4459 1 8 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.713 -0.060 25489 4460 1 8 . 1 1 125 125 ARG H H 125 8.408 8.408 9.045 -0.637 25489 4461 1 8 . 1 1 126 126 LYS N N 126 130.178 130.178 126.179 3.999 25489 4462 1 8 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.595 -0.234 25489 4463 1 8 . 1 1 126 126 LYS H H 126 8.468 8.468 8.588 -0.120 25489 4464 1 8 . 1 1 127 127 VAL N N 127 125.180 125.180 127.576 -2.396 25489 4465 1 8 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.255 0.253 25489 4466 1 8 . 1 1 127 127 VAL H H 127 8.679 8.679 7.789 0.890 25489 4467 1 8 . 1 1 128 128 VAL N N 128 117.584 117.584 123.274 -5.690 25489 4468 1 8 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.267 0.019 25489 4469 1 8 . 1 1 128 128 VAL H H 128 8.469 8.469 8.319 0.150 25489 4470 1 8 . 1 1 129 129 TRP N N 129 119.805 119.805 119.991 -0.186 25489 4471 1 8 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.769 -0.083 25489 4472 1 8 . 1 1 129 129 TRP H H 129 7.447 7.447 7.605 -0.158 25489 4473 1 8 . 1 1 130 130 GLY N N 130 109.844 109.844 112.149 -2.305 25489 4474 1 8 . 1 1 130 130 GLY H H 130 8.072 8.072 7.272 0.800 25489 4475 1 8 . 1 1 131 131 THR N N 131 116.125 116.125 112.396 3.729 25489 4476 1 8 . 1 1 131 131 THR HA H 131 4.123 4.123 4.239 -0.116 25489 4477 1 8 . 1 1 131 131 THR H H 131 8.196 8.196 7.962 0.234 25489 4478 1 8 . 1 1 132 132 ALA N N 132 129.613 129.613 129.834 -0.221 25489 4479 1 8 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.401 0.110 25489 4480 1 8 . 1 1 132 132 ALA H H 132 7.919 7.919 8.004 -0.085 25489 4481 1 8 . 1 1 133 133 ASP N N 133 123.004 123.004 123.121 -0.117 25489 4482 1 8 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.481 -0.039 25489 4483 1 8 . 1 1 133 133 ASP H H 133 8.248 8.248 8.540 -0.292 25489 4484 1 8 . 1 1 134 134 ILE N N 134 125.478 125.478 122.026 3.452 25489 4485 1 8 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.261 -0.168 25489 4486 1 8 . 1 1 134 134 ILE H H 134 8.804 8.804 7.538 1.266 25489 4487 1 8 . 1 1 135 135 MET N N 135 127.471 127.471 127.910 -0.439 25489 4488 1 8 . 1 1 135 135 MET HA H 135 5.194 5.194 5.126 0.068 25489 4489 1 8 . 1 1 135 135 MET H H 135 7.437 7.437 9.102 -1.665 25489 4490 1 8 . 1 1 136 136 ILE N N 136 125.040 125.040 125.423 -0.383 25489 4491 1 8 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.901 0.676 25489 4492 1 8 . 1 1 136 136 ILE H H 136 9.085 9.085 8.191 0.894 25489 4493 1 8 . 1 1 137 137 GLY N N 137 112.059 112.059 114.271 -2.212 25489 4494 1 8 . 1 1 137 137 GLY H H 137 8.568 8.568 8.440 0.128 25489 4495 1 8 . 1 1 138 138 PHE N N 138 119.447 119.447 119.107 0.340 25489 4496 1 8 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.473 -0.019 25489 4497 1 8 . 1 1 138 138 PHE H H 138 7.861 7.861 8.661 -0.800 25489 4498 1 8 . 1 1 139 139 ALA N N 139 123.657 123.657 125.223 -1.566 25489 4499 1 8 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.674 0.061 25489 4500 1 8 . 1 1 139 139 ALA H H 139 8.939 8.939 8.865 0.074 25489 4501 1 8 . 1 1 140 140 ARG N N 140 118.688 118.688 120.246 -1.558 25489 4502 1 8 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.564 0.510 25489 4503 1 8 . 1 1 140 140 ARG H H 140 8.563 8.563 8.482 0.081 25489 4504 1 8 . 1 1 141 141 GLY N N 141 108.964 108.964 107.376 1.588 25489 4505 1 8 . 1 1 141 141 GLY H H 141 9.018 9.018 8.533 0.485 25489 4506 1 8 . 1 1 143 143 HIS N N 143 120.218 120.218 112.811 7.407 25489 4507 1 8 . 1 1 143 143 HIS H H 143 8.998 8.998 7.657 1.341 25489 4508 1 8 . 1 1 145 145 ASP N N 145 117.684 117.684 119.464 -1.780 25489 4509 1 8 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.454 0.246 25489 4510 1 8 . 1 1 145 145 ASP H H 145 7.088 7.088 8.370 -1.282 25489 4511 1 8 . 1 1 146 146 SER HA H 146 4.140 4.140 4.279 -0.139 25489 4512 1 8 . 1 1 146 146 SER H H 146 8.220 8.220 7.329 0.891 25489 4513 1 8 . 1 1 147 147 TYR N N 147 120.867 120.867 124.651 -3.784 25489 4514 1 8 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.228 0.560 25489 4515 1 8 . 1 1 147 147 TYR H H 147 7.459 7.459 8.597 -1.138 25489 4516 1 8 . 1 1 149 149 PHE N N 149 120.630 120.630 121.917 -1.287 25489 4517 1 8 . 1 1 149 149 PHE H H 149 8.018 8.018 8.551 -0.533 25489 4518 1 8 . 1 1 150 150 ASP N N 150 115.626 115.626 116.454 -0.828 25489 4519 1 8 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.481 0.362 25489 4520 1 8 . 1 1 150 150 ASP H H 150 7.543 7.543 7.738 -0.195 25489 4521 1 8 . 1 1 151 151 GLY N N 151 110.700 110.700 107.118 3.582 25489 4522 1 8 . 1 1 151 151 GLY H H 151 9.074 9.074 8.233 0.841 25489 4523 1 8 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.216 -0.190 25489 4524 1 8 . 1 1 153 153 GLY N N 153 118.786 118.786 115.727 3.059 25489 4525 1 8 . 1 1 153 153 GLY H H 153 11.385 11.385 8.014 3.371 25489 4526 1 8 . 1 1 154 154 ASN N N 154 120.613 120.613 123.859 -3.246 25489 4527 1 8 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.344 -0.146 25489 4528 1 8 . 1 1 154 154 ASN H H 154 9.225 9.225 8.514 0.711 25489 4529 1 8 . 1 1 155 155 THR N N 155 118.700 118.700 113.984 4.716 25489 4530 1 8 . 1 1 155 155 THR HA H 155 5.542 5.542 4.096 1.446 25489 4531 1 8 . 1 1 155 155 THR H H 155 9.519 9.519 8.728 0.791 25489 4532 1 8 . 1 1 156 156 LEU N N 156 122.765 122.765 124.101 -1.336 25489 4533 1 8 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.638 0.304 25489 4534 1 8 . 1 1 156 156 LEU H H 156 8.500 8.500 8.642 -0.142 25489 4535 1 8 . 1 1 157 157 ALA N N 157 115.545 115.545 118.129 -2.584 25489 4536 1 8 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.743 0.264 25489 4537 1 8 . 1 1 157 157 ALA H H 157 7.545 7.545 7.429 0.116 25489 4538 1 8 . 1 1 158 158 HIS N N 158 111.868 111.868 115.283 -3.415 25489 4539 1 8 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.054 -0.437 25489 4540 1 8 . 1 1 158 158 HIS H H 158 8.774 8.774 8.767 0.007 25489 4541 1 8 . 1 1 159 159 ALA N N 159 118.565 118.565 122.311 -3.746 25489 4542 1 8 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.802 -0.145 25489 4543 1 8 . 1 1 159 159 ALA H H 159 6.114 6.114 8.238 -2.124 25489 4544 1 8 . 1 1 160 160 PHE N N 160 118.042 118.042 119.403 -1.361 25489 4545 1 8 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.744 -0.263 25489 4546 1 8 . 1 1 160 160 PHE H H 160 7.897 7.897 8.530 -0.633 25489 4547 1 8 . 1 1 161 161 ALA N N 161 123.548 123.548 125.215 -1.667 25489 4548 1 8 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.352 0.131 25489 4549 1 8 . 1 1 161 161 ALA H H 161 8.089 8.089 8.580 -0.491 25489 4550 1 8 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.466 -1.595 25489 4551 1 8 . 1 1 163 163 GLY N N 163 107.255 107.255 110.687 -3.432 25489 4552 1 8 . 1 1 163 163 GLY H H 163 5.992 5.992 7.638 -1.646 25489 4553 1 8 . 1 1 165 165 GLY H H 165 9.149 9.149 8.682 0.467 25489 4554 1 8 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.085 0.068 25489 4555 1 8 . 1 1 167 167 GLY N N 167 103.338 103.338 104.554 -1.216 25489 4556 1 8 . 1 1 167 167 GLY H H 167 7.774 7.774 7.196 0.578 25489 4557 1 8 . 1 1 168 168 GLY N N 168 121.031 121.031 108.218 12.813 25489 4558 1 8 . 1 1 168 168 GLY H H 168 7.685 7.685 7.892 -0.207 25489 4559 1 8 . 1 1 169 169 ASP N N 169 123.703 123.703 122.305 1.398 25489 4560 1 8 . 1 1 169 169 ASP H H 169 8.578 8.578 7.879 0.699 25489 4561 1 8 . 1 1 170 170 ALA N N 170 119.569 119.569 120.287 -0.718 25489 4562 1 8 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.859 -0.155 25489 4563 1 8 . 1 1 170 170 ALA H H 170 8.371 8.371 8.085 0.286 25489 4564 1 8 . 1 1 171 171 HIS N N 171 120.286 120.286 122.040 -1.754 25489 4565 1 8 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.039 0.691 25489 4566 1 8 . 1 1 171 171 HIS H H 171 8.513 8.513 8.829 -0.316 25489 4567 1 8 . 1 1 172 172 PHE N N 172 120.919 120.919 125.038 -4.119 25489 4568 1 8 . 1 1 172 172 PHE H H 172 8.457 8.457 9.065 -0.608 25489 4569 1 8 . 1 1 173 173 ASP N N 173 123.993 123.993 122.439 1.554 25489 4570 1 8 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.887 -0.991 25489 4571 1 8 . 1 1 173 173 ASP H H 173 7.915 7.915 8.335 -0.420 25489 4572 1 8 . 1 1 174 174 GLU N N 174 132.684 132.684 127.718 4.966 25489 4573 1 8 . 1 1 174 174 GLU H H 174 9.461 9.461 8.398 1.063 25489 4574 1 8 . 1 1 175 175 ASP N N 175 117.313 117.313 118.240 -0.927 25489 4575 1 8 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.563 0.234 25489 4576 1 8 . 1 1 175 175 ASP H H 175 8.756 8.756 8.695 0.060 25489 4577 1 8 . 1 1 176 176 GLU N N 176 116.511 116.511 119.690 -3.179 25489 4578 1 8 . 1 1 176 176 GLU H H 176 7.154 7.154 7.846 -0.692 25489 4579 1 8 . 1 1 177 177 ARG N N 177 121.920 121.920 122.761 -0.841 25489 4580 1 8 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.468 0.157 25489 4581 1 8 . 1 1 177 177 ARG H H 177 7.555 7.555 8.287 -0.732 25489 4582 1 8 . 1 1 178 178 TRP N N 178 129.182 129.182 125.725 3.457 25489 4583 1 8 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.288 -0.175 25489 4584 1 8 . 1 1 178 178 TRP H H 178 8.788 8.788 8.591 0.197 25489 4585 1 8 . 1 1 179 179 THR N N 179 112.874 112.874 112.371 0.503 25489 4586 1 8 . 1 1 179 179 THR HA H 179 5.015 5.015 4.730 0.285 25489 4587 1 8 . 1 1 179 179 THR H H 179 8.946 8.946 8.687 0.259 25489 4588 1 8 . 1 1 180 180 ASP N N 180 121.969 121.969 124.299 -2.330 25489 4589 1 8 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.803 -0.381 25489 4590 1 8 . 1 1 180 180 ASP H H 180 8.478 8.478 8.833 -0.355 25489 4591 1 8 . 1 1 181 181 GLY N N 181 110.059 110.059 108.045 2.014 25489 4592 1 8 . 1 1 181 181 GLY H H 181 8.572 8.572 8.394 0.178 25489 4593 1 8 . 1 1 182 182 SER N N 182 115.564 115.564 116.279 -0.715 25489 4594 1 8 . 1 1 182 182 SER HA H 182 4.599 4.599 4.725 -0.126 25489 4595 1 8 . 1 1 182 182 SER H H 182 8.173 8.173 7.869 0.304 25489 4596 1 8 . 1 1 183 183 SER N N 183 117.066 117.066 116.293 0.773 25489 4597 1 8 . 1 1 183 183 SER H H 183 7.819 7.819 8.433 -0.614 25489 4598 1 8 . 1 1 184 184 LEU N N 184 121.954 121.954 122.337 -0.383 25489 4599 1 8 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.273 0.089 25489 4600 1 8 . 1 1 184 184 LEU H H 184 8.104 8.104 7.615 0.489 25489 4601 1 8 . 1 1 185 185 GLY N N 185 108.989 108.989 106.422 2.567 25489 4602 1 8 . 1 1 185 185 GLY H H 185 7.954 7.954 7.329 0.625 25489 4603 1 8 . 1 1 186 186 ILE N N 186 123.084 123.084 120.123 2.961 25489 4604 1 8 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.202 0.577 25489 4605 1 8 . 1 1 186 186 ILE H H 186 8.878 8.878 7.937 0.941 25489 4606 1 8 . 1 1 187 187 ASN N N 187 126.999 126.999 125.024 1.975 25489 4607 1 8 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.926 -0.530 25489 4608 1 8 . 1 1 187 187 ASN H H 187 8.575 8.575 8.503 0.072 25489 4609 1 8 . 1 1 188 188 PHE N N 188 129.819 129.819 128.347 1.472 25489 4610 1 8 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.680 -0.089 25489 4611 1 8 . 1 1 188 188 PHE H H 188 9.365 9.365 8.635 0.730 25489 4612 1 8 . 1 1 189 189 LEU N N 189 119.292 119.292 121.730 -2.438 25489 4613 1 8 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.649 0.184 25489 4614 1 8 . 1 1 189 189 LEU H H 189 8.551 8.551 8.429 0.122 25489 4615 1 8 . 1 1 191 191 ALA N N 191 120.347 120.347 120.568 -0.221 25489 4616 1 8 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.483 -0.186 25489 4617 1 8 . 1 1 191 191 ALA H H 191 7.973 7.973 7.798 0.175 25489 4618 1 8 . 1 1 192 192 ALA N N 192 121.365 121.365 121.354 0.011 25489 4619 1 8 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.940 0.077 25489 4620 1 8 . 1 1 192 192 ALA H H 192 9.258 9.258 8.006 1.252 25489 4621 1 8 . 1 1 193 193 THR N N 193 117.027 117.027 112.992 4.035 25489 4622 1 8 . 1 1 193 193 THR HA H 193 3.825 3.825 3.319 0.506 25489 4623 1 8 . 1 1 193 193 THR H H 193 8.209 8.209 7.670 0.539 25489 4624 1 8 . 1 1 194 194 HIS N N 194 120.231 120.231 122.105 -1.874 25489 4625 1 8 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.119 0.114 25489 4626 1 8 . 1 1 194 194 HIS H H 194 7.805 7.805 7.830 -0.025 25489 4627 1 8 . 1 1 195 195 ALA N N 195 121.346 121.346 119.450 1.896 25489 4628 1 8 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.098 0.082 25489 4629 1 8 . 1 1 195 195 ALA H H 195 8.693 8.693 7.800 0.893 25489 4630 1 8 . 1 1 196 196 LEU N N 196 114.951 114.951 118.341 -3.390 25489 4631 1 8 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.403 -0.245 25489 4632 1 8 . 1 1 196 196 LEU H H 196 8.714 8.714 7.742 0.972 25489 4633 1 8 . 1 1 197 197 GLY N N 197 107.954 107.954 107.892 0.062 25489 4634 1 8 . 1 1 197 197 GLY H H 197 7.540 7.540 8.281 -0.741 25489 4635 1 8 . 1 1 198 198 HIS N N 198 121.996 121.996 118.537 3.459 25489 4636 1 8 . 1 1 198 198 HIS HA H 198 4.809 4.809 5.170 -0.361 25489 4637 1 8 . 1 1 198 198 HIS H H 198 7.205 7.205 7.207 -0.002 25489 4638 1 8 . 1 1 199 199 SER N N 199 118.570 118.570 116.223 2.347 25489 4639 1 8 . 1 1 199 199 SER HA H 199 4.448 4.448 4.378 0.070 25489 4640 1 8 . 1 1 199 199 SER H H 199 7.886 7.886 8.431 -0.545 25489 4641 1 8 . 1 1 200 200 LEU N N 200 114.779 114.779 120.365 -5.586 25489 4642 1 8 . 1 1 200 200 LEU H H 200 7.106 7.106 8.288 -1.182 25489 4643 1 8 . 1 1 201 201 GLY N N 201 108.350 108.350 104.044 4.306 25489 4644 1 8 . 1 1 201 201 GLY H H 201 8.213 8.213 7.356 0.857 25489 4645 1 8 . 1 1 202 202 MET N N 202 119.623 119.623 119.354 0.269 25489 4646 1 8 . 1 1 202 202 MET HA H 202 4.484 4.484 4.632 -0.148 25489 4647 1 8 . 1 1 202 202 MET H H 202 8.189 8.189 8.043 0.146 25489 4648 1 8 . 1 1 203 203 GLY N N 203 109.770 109.770 108.707 1.063 25489 4649 1 8 . 1 1 203 203 GLY H H 203 8.413 8.413 8.505 -0.092 25489 4650 1 8 . 1 1 204 204 HIS N N 204 115.793 115.793 115.573 0.220 25489 4651 1 8 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.926 0.448 25489 4652 1 8 . 1 1 204 204 HIS H H 204 8.383 8.383 8.258 0.125 25489 4653 1 8 . 1 1 205 205 SER N N 205 115.497 115.497 114.895 0.602 25489 4654 1 8 . 1 1 205 205 SER HA H 205 4.721 4.721 4.796 -0.075 25489 4655 1 8 . 1 1 205 205 SER H H 205 7.223 7.223 8.226 -1.003 25489 4656 1 8 . 1 1 206 206 SER N N 206 119.268 119.268 119.790 -0.522 25489 4657 1 8 . 1 1 206 206 SER HA H 206 3.721 3.721 4.706 -0.985 25489 4658 1 8 . 1 1 206 206 SER H H 206 8.290 8.290 9.031 -0.741 25489 4659 1 8 . 1 1 207 207 ASP N N 207 126.656 126.656 123.568 3.088 25489 4660 1 8 . 1 1 207 207 ASP H H 207 8.541 8.541 7.774 0.767 25489 4661 1 8 . 1 1 209 209 ASN N N 209 115.911 115.911 115.404 0.507 25489 4662 1 8 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.708 -0.092 25489 4663 1 8 . 1 1 209 209 ASN H H 209 8.374 8.374 7.750 0.624 25489 4664 1 8 . 1 1 210 210 ALA N N 210 124.929 124.929 122.428 2.501 25489 4665 1 8 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.626 -0.472 25489 4666 1 8 . 1 1 210 210 ALA H H 210 8.182 8.182 7.249 0.933 25489 4667 1 8 . 1 1 211 211 VAL N N 211 130.383 130.383 123.927 6.456 25489 4668 1 8 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.603 0.647 25489 4669 1 8 . 1 1 211 211 VAL H H 211 11.554 11.554 9.393 2.161 25489 4670 1 8 . 1 1 212 212 MET N N 212 113.319 113.319 116.451 -3.132 25489 4671 1 8 . 1 1 212 212 MET H H 212 7.741 7.741 9.138 -1.397 25489 4672 1 8 . 1 1 213 213 TYR N N 213 130.006 130.006 123.110 6.896 25489 4673 1 8 . 1 1 213 213 TYR H H 213 7.899 7.899 7.444 0.455 25489 4674 1 8 . 1 1 215 215 THR N N 215 104.747 104.747 108.357 -3.610 25489 4675 1 8 . 1 1 215 215 THR HA H 215 4.404 4.404 4.399 0.005 25489 4676 1 8 . 1 1 215 215 THR H H 215 6.402 6.402 7.042 -0.640 25489 4677 1 8 . 1 1 216 216 TYR N N 216 124.699 124.699 121.928 2.771 25489 4678 1 8 . 1 1 216 216 TYR H H 216 8.341 8.341 8.744 -0.403 25489 4679 1 8 . 1 1 217 217 GLY N N 217 116.288 116.288 112.883 3.405 25489 4680 1 8 . 1 1 217 217 GLY H H 217 7.685 7.685 7.860 -0.175 25489 4681 1 8 . 1 1 218 218 ASN N N 218 119.920 119.920 117.137 2.783 25489 4682 1 8 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.367 0.253 25489 4683 1 8 . 1 1 218 218 ASN H H 218 8.221 8.221 8.603 -0.382 25489 4684 1 8 . 1 1 219 219 GLY N N 219 109.601 109.601 108.384 1.217 25489 4685 1 8 . 1 1 219 219 GLY H H 219 8.072 8.072 7.547 0.525 25489 4686 1 8 . 1 1 220 220 ASP N N 220 123.006 123.006 123.014 -0.008 25489 4687 1 8 . 1 1 220 220 ASP H H 220 8.280 8.280 8.289 -0.009 25489 4688 1 8 . 1 1 222 222 GLN N N 222 116.642 116.642 121.982 -5.340 25489 4689 1 8 . 1 1 222 222 GLN H H 222 8.215 8.215 8.597 -0.382 25489 4690 1 8 . 1 1 223 223 ASN N N 223 118.361 118.361 115.405 2.956 25489 4691 1 8 . 1 1 223 223 ASN H H 223 7.970 7.970 7.929 0.041 25489 4692 1 8 . 1 1 225 225 LYS N N 225 122.215 122.215 126.245 -4.030 25489 4693 1 8 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.699 -0.283 25489 4694 1 8 . 1 1 225 225 LYS H H 225 7.656 7.656 7.941 -0.285 25489 4695 1 8 . 1 1 226 226 LEU N N 226 119.165 119.165 122.675 -3.510 25489 4696 1 8 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.447 -0.359 25489 4697 1 8 . 1 1 226 226 LEU H H 226 7.984 7.984 8.404 -0.420 25489 4698 1 8 . 1 1 227 227 SER N N 227 120.520 120.520 117.955 2.565 25489 4699 1 8 . 1 1 227 227 SER HA H 227 4.676 4.676 4.576 0.100 25489 4700 1 8 . 1 1 227 227 SER H H 227 9.646 9.646 9.523 0.123 25489 4701 1 8 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.013 0.661 25489 4702 1 8 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.427 -0.053 25489 4703 1 8 . 1 1 229 229 ASP H H 229 8.113 8.113 7.677 0.436 25489 4704 1 8 . 1 1 230 230 ASP N N 230 119.878 119.878 119.907 -0.029 25489 4705 1 8 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.465 -0.127 25489 4706 1 8 . 1 1 230 230 ASP H H 230 7.397 7.397 7.502 -0.105 25489 4707 1 8 . 1 1 231 231 ILE N N 231 120.389 120.389 120.334 0.055 25489 4708 1 8 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.681 -0.026 25489 4709 1 8 . 1 1 231 231 ILE H H 231 8.100 8.100 8.604 -0.504 25489 4710 1 8 . 1 1 232 232 LYS N N 232 119.084 119.084 119.852 -0.768 25489 4711 1 8 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.104 -0.009 25489 4712 1 8 . 1 1 232 232 LYS H H 232 8.581 8.581 8.334 0.247 25489 4713 1 8 . 1 1 233 233 GLY N N 233 106.424 106.424 106.317 0.107 25489 4714 1 8 . 1 1 233 233 GLY H H 233 8.061 8.061 7.575 0.486 25489 4715 1 8 . 1 1 234 234 ILE N N 234 125.166 125.166 121.162 4.004 25489 4716 1 8 . 1 1 234 234 ILE H H 234 8.517 8.517 7.166 1.351 25489 4717 1 8 . 1 1 235 235 GLN N N 235 122.969 122.969 119.905 3.064 25489 4718 1 8 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.205 0.176 25489 4719 1 8 . 1 1 235 235 GLN H H 235 8.291 8.291 8.348 -0.057 25489 4720 1 8 . 1 1 236 236 LYS N N 236 123.770 123.770 120.000 3.770 25489 4721 1 8 . 1 1 236 236 LYS H H 236 8.035 8.035 7.636 0.399 25489 4722 1 8 . 1 1 237 237 LEU N N 237 116.854 116.854 119.693 -2.839 25489 4723 1 8 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.057 -0.098 25489 4724 1 8 . 1 1 237 237 LEU H H 237 6.886 6.886 8.409 -1.523 25489 4725 1 8 . 1 1 238 238 TYR N N 238 112.132 112.132 116.286 -4.154 25489 4726 1 8 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.622 0.004 25489 4727 1 8 . 1 1 238 238 TYR H H 238 7.459 7.459 7.502 -0.043 25489 4728 1 8 . 1 1 239 239 GLY N N 239 110.898 110.898 108.205 2.693 25489 4729 1 8 . 1 1 239 239 GLY H H 239 8.442 8.442 7.356 1.086 25489 4730 1 8 . 1 1 240 240 LYS N N 240 114.400 114.400 120.736 -6.336 25489 4731 1 8 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.313 0.491 25489 4732 1 8 . 1 1 240 240 LYS H H 240 7.865 7.865 8.474 -0.609 25489 4733 1 8 . 1 1 241 241 ARG N N 241 123.851 123.851 123.694 0.157 25489 4734 1 8 . 1 1 241 241 ARG H H 241 7.760 7.760 8.658 -0.898 25489 4735 1 8 . 1 1 242 242 SER N N 242 135.647 135.647 116.934 18.713 25489 4736 1 8 . 1 1 242 242 SER H H 242 9.158 9.158 8.474 0.684 25489 4737 1 9 . 1 1 3 3 GLU N N 3 121.690 121.690 127.167 -5.477 25489 4738 1 9 . 1 1 3 3 GLU H H 3 8.332 8.332 8.855 -0.523 25489 4739 1 9 . 1 1 4 4 ALA N N 4 124.526 124.526 118.001 6.525 25489 4740 1 9 . 1 1 4 4 ALA H H 4 8.111 8.111 8.150 -0.039 25489 4741 1 9 . 1 1 5 5 GLY N N 5 108.229 108.229 103.862 4.367 25489 4742 1 9 . 1 1 5 5 GLY H H 5 8.286 8.286 7.432 0.854 25489 4743 1 9 . 1 1 6 6 GLY N N 6 108.867 108.867 107.757 1.110 25489 4744 1 9 . 1 1 6 6 GLY H H 6 8.239 8.239 7.678 0.561 25489 4745 1 9 . 1 1 7 7 MET N N 7 119.984 119.984 119.972 0.012 25489 4746 1 9 . 1 1 7 7 MET H H 7 8.044 8.044 7.447 0.597 25489 4747 1 9 . 1 1 8 8 SER N N 8 118.771 118.771 117.389 1.382 25489 4748 1 9 . 1 1 8 8 SER HA H 8 4.239 4.239 4.424 -0.185 25489 4749 1 9 . 1 1 8 8 SER H H 8 8.738 8.738 8.475 0.263 25489 4750 1 9 . 1 1 9 9 GLU N N 9 122.551 122.551 127.236 -4.685 25489 4751 1 9 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.195 0.057 25489 4752 1 9 . 1 1 9 9 GLU H H 9 8.919 8.919 9.016 -0.097 25489 4753 1 9 . 1 1 10 10 LEU N N 10 120.638 120.638 119.979 0.659 25489 4754 1 9 . 1 1 10 10 LEU H H 10 8.017 8.017 7.507 0.510 25489 4755 1 9 . 1 1 11 11 GLN N N 11 119.889 119.889 119.088 0.801 25489 4756 1 9 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.240 -0.106 25489 4757 1 9 . 1 1 11 11 GLN H H 11 7.807 7.807 7.765 0.042 25489 4758 1 9 . 1 1 12 12 TRP N N 12 120.951 120.951 122.287 -1.336 25489 4759 1 9 . 1 1 12 12 TRP H H 12 8.202 8.202 7.813 0.389 25489 4760 1 9 . 1 1 13 13 GLU N N 13 121.870 121.870 119.941 1.929 25489 4761 1 9 . 1 1 13 13 GLU H H 13 8.436 8.436 8.163 0.273 25489 4762 1 9 . 1 1 14 14 GLN N N 14 120.646 120.646 119.466 1.180 25489 4763 1 9 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.686 0.483 25489 4764 1 9 . 1 1 14 14 GLN H H 14 8.159 8.159 8.039 0.120 25489 4765 1 9 . 1 1 15 15 ALA N N 15 123.216 123.216 122.057 1.159 25489 4766 1 9 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.700 0.638 25489 4767 1 9 . 1 1 15 15 ALA H H 15 8.355 8.355 7.628 0.727 25489 4768 1 9 . 1 1 16 16 GLN N N 16 117.766 117.766 118.139 -0.373 25489 4769 1 9 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.831 -0.126 25489 4770 1 9 . 1 1 16 16 GLN H H 16 8.440 8.440 8.204 0.236 25489 4771 1 9 . 1 1 17 17 ASP N N 17 120.090 120.090 119.336 0.754 25489 4772 1 9 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.380 0.083 25489 4773 1 9 . 1 1 17 17 ASP H H 17 7.899 7.899 7.863 0.036 25489 4774 1 9 . 1 1 18 18 TYR N N 18 122.296 122.296 118.003 4.293 25489 4775 1 9 . 1 1 18 18 TYR H H 18 8.264 8.264 7.875 0.389 25489 4776 1 9 . 1 1 19 19 LEU N N 19 117.675 117.675 120.631 -2.956 25489 4777 1 9 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.117 0.008 25489 4778 1 9 . 1 1 19 19 LEU H H 19 8.687 8.687 8.526 0.161 25489 4779 1 9 . 1 1 20 20 LYS N N 20 124.620 124.620 115.992 8.628 25489 4780 1 9 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.344 -0.201 25489 4781 1 9 . 1 1 20 20 LYS H H 20 8.790 8.790 7.722 1.068 25489 4782 1 9 . 1 1 21 21 ARG N N 21 117.608 117.608 117.911 -0.303 25489 4783 1 9 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.268 -0.571 25489 4784 1 9 . 1 1 21 21 ARG H H 21 7.835 7.835 7.729 0.106 25489 4785 1 9 . 1 1 22 22 PHE N N 22 112.136 112.136 119.315 -7.179 25489 4786 1 9 . 1 1 22 22 PHE H H 22 8.003 8.003 8.008 -0.005 25489 4787 1 9 . 1 1 23 23 TYR N N 23 116.244 116.244 116.134 0.110 25489 4788 1 9 . 1 1 23 23 TYR H H 23 7.678 7.678 8.146 -0.468 25489 4789 1 9 . 1 1 24 24 LEU N N 24 115.582 115.582 115.015 0.567 25489 4790 1 9 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.539 -0.404 25489 4791 1 9 . 1 1 24 24 LEU H H 24 7.238 7.238 7.778 -0.540 25489 4792 1 9 . 1 1 25 25 TYR N N 25 119.996 119.996 124.180 -4.184 25489 4793 1 9 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.671 -0.266 25489 4794 1 9 . 1 1 25 25 TYR H H 25 7.826 7.826 8.681 -0.855 25489 4795 1 9 . 1 1 26 26 ASP N N 26 129.292 129.292 128.163 1.129 25489 4796 1 9 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.784 -0.323 25489 4797 1 9 . 1 1 26 26 ASP H H 26 8.121 8.121 8.476 -0.355 25489 4798 1 9 . 1 1 28 28 GLU N N 28 122.115 122.115 121.100 1.015 25489 4799 1 9 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.360 -0.079 25489 4800 1 9 . 1 1 28 28 GLU H H 28 8.262 8.262 7.843 0.419 25489 4801 1 9 . 1 1 29 29 THR N N 29 114.171 114.171 113.989 0.182 25489 4802 1 9 . 1 1 29 29 THR HA H 29 4.222 4.222 4.358 -0.136 25489 4803 1 9 . 1 1 29 29 THR H H 29 7.496 7.496 8.553 -1.057 25489 4804 1 9 . 1 1 30 30 LYS N N 30 123.019 123.019 123.645 -0.626 25489 4805 1 9 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.234 -0.016 25489 4806 1 9 . 1 1 30 30 LYS H H 30 8.154 8.154 7.542 0.612 25489 4807 1 9 . 1 1 32 32 ALA N N 32 126.481 126.481 127.341 -0.860 25489 4808 1 9 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.233 0.017 25489 4809 1 9 . 1 1 32 32 ALA H H 32 8.424 8.424 8.867 -0.443 25489 4810 1 9 . 1 1 33 33 ASN N N 33 116.834 116.834 117.803 -0.969 25489 4811 1 9 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.529 0.169 25489 4812 1 9 . 1 1 33 33 ASN H H 33 8.312 8.312 8.093 0.219 25489 4813 1 9 . 1 1 34 34 SER N N 34 116.960 116.960 117.041 -0.081 25489 4814 1 9 . 1 1 34 34 SER HA H 34 4.522 4.522 4.291 0.231 25489 4815 1 9 . 1 1 34 34 SER H H 34 8.112 8.112 7.831 0.281 25489 4816 1 9 . 1 1 35 35 LEU N N 35 125.335 125.335 123.010 2.325 25489 4817 1 9 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.122 -0.571 25489 4818 1 9 . 1 1 35 35 LEU H H 35 8.324 8.324 8.880 -0.556 25489 4819 1 9 . 1 1 36 36 GLU N N 36 119.302 119.302 119.942 -0.640 25489 4820 1 9 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.311 -0.368 25489 4821 1 9 . 1 1 36 36 GLU H H 36 8.239 8.239 7.794 0.445 25489 4822 1 9 . 1 1 37 37 ALA N N 37 120.683 120.683 121.248 -0.565 25489 4823 1 9 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.167 -0.120 25489 4824 1 9 . 1 1 37 37 ALA H H 37 7.898 7.898 7.974 -0.076 25489 4825 1 9 . 1 1 38 38 LYS N N 38 119.470 119.470 119.638 -0.168 25489 4826 1 9 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.116 0.217 25489 4827 1 9 . 1 1 38 38 LYS H H 38 8.217 8.217 8.090 0.127 25489 4828 1 9 . 1 1 39 39 LEU N N 39 122.664 122.664 119.035 3.629 25489 4829 1 9 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.221 -0.307 25489 4830 1 9 . 1 1 39 39 LEU H H 39 8.658 8.658 8.149 0.509 25489 4831 1 9 . 1 1 40 40 LYS N N 40 118.301 118.301 121.231 -2.930 25489 4832 1 9 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.274 0.399 25489 4833 1 9 . 1 1 40 40 LYS H H 40 8.221 8.221 7.722 0.499 25489 4834 1 9 . 1 1 41 41 GLU N N 41 121.462 121.462 120.501 0.961 25489 4835 1 9 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.030 0.038 25489 4836 1 9 . 1 1 41 41 GLU H H 41 7.736 7.736 7.722 0.014 25489 4837 1 9 . 1 1 42 42 MET N N 42 123.761 123.761 119.699 4.062 25489 4838 1 9 . 1 1 42 42 MET HA H 42 4.046 4.046 4.469 -0.423 25489 4839 1 9 . 1 1 42 42 MET H H 42 7.672 7.672 8.320 -0.648 25489 4840 1 9 . 1 1 43 43 GLN N N 43 120.035 120.035 118.280 1.755 25489 4841 1 9 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.067 -0.271 25489 4842 1 9 . 1 1 43 43 GLN H H 43 8.904 8.904 8.524 0.380 25489 4843 1 9 . 1 1 44 44 LYS N N 44 119.131 119.131 120.152 -1.021 25489 4844 1 9 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.148 -0.096 25489 4845 1 9 . 1 1 44 44 LYS H H 44 8.511 8.511 7.728 0.783 25489 4846 1 9 . 1 1 45 45 PHE N N 45 123.544 123.544 121.585 1.959 25489 4847 1 9 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.286 -0.436 25489 4848 1 9 . 1 1 45 45 PHE H H 45 8.438 8.438 8.231 0.207 25489 4849 1 9 . 1 1 46 46 PHE N N 46 112.789 112.789 115.505 -2.716 25489 4850 1 9 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.239 0.343 25489 4851 1 9 . 1 1 46 46 PHE H H 46 8.273 8.273 7.811 0.462 25489 4852 1 9 . 1 1 47 47 GLY N N 47 110.408 110.408 106.612 3.796 25489 4853 1 9 . 1 1 47 47 GLY H H 47 7.922 7.922 7.800 0.122 25489 4854 1 9 . 1 1 48 48 LEU N N 48 121.853 121.853 121.627 0.226 25489 4855 1 9 . 1 1 48 48 LEU H H 48 8.747 8.747 7.711 1.036 25489 4856 1 9 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.327 -0.126 25489 4857 1 9 . 1 1 50 50 ILE N N 50 127.000 127.000 121.554 5.446 25489 4858 1 9 . 1 1 50 50 ILE H H 50 8.529 8.529 7.764 0.765 25489 4859 1 9 . 1 1 51 51 THR N N 51 116.519 116.519 118.319 -1.800 25489 4860 1 9 . 1 1 51 51 THR H H 51 7.980 7.980 8.367 -0.387 25489 4861 1 9 . 1 1 52 52 GLY N N 52 112.725 112.725 113.556 -0.831 25489 4862 1 9 . 1 1 52 52 GLY H H 52 9.483 9.483 9.286 0.197 25489 4863 1 9 . 1 1 53 53 MET N N 53 116.735 116.735 120.794 -4.059 25489 4864 1 9 . 1 1 53 53 MET HA H 53 4.044 4.044 4.753 -0.709 25489 4865 1 9 . 1 1 53 53 MET H H 53 7.969 7.969 7.625 0.344 25489 4866 1 9 . 1 1 54 54 LEU N N 54 122.602 122.602 127.748 -5.146 25489 4867 1 9 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.640 -0.934 25489 4868 1 9 . 1 1 54 54 LEU H H 54 7.926 7.926 8.443 -0.517 25489 4869 1 9 . 1 1 55 55 ASN N N 55 115.755 115.755 118.256 -2.501 25489 4870 1 9 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.724 0.016 25489 4871 1 9 . 1 1 55 55 ASN H H 55 6.555 6.555 8.666 -2.111 25489 4872 1 9 . 1 1 56 56 SER N N 56 121.450 121.450 115.121 6.329 25489 4873 1 9 . 1 1 56 56 SER HA H 56 4.662 4.662 4.570 0.092 25489 4874 1 9 . 1 1 56 56 SER H H 56 8.205 8.205 7.937 0.268 25489 4875 1 9 . 1 1 57 57 ARG N N 57 123.219 123.219 121.422 1.797 25489 4876 1 9 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.995 0.211 25489 4877 1 9 . 1 1 57 57 ARG H H 57 7.883 7.883 8.614 -0.731 25489 4878 1 9 . 1 1 58 58 VAL N N 58 118.843 118.843 116.472 2.371 25489 4879 1 9 . 1 1 58 58 VAL HA H 58 3.300 3.300 2.478 0.822 25489 4880 1 9 . 1 1 58 58 VAL H H 58 7.594 7.594 7.614 -0.020 25489 4881 1 9 . 1 1 59 59 ILE N N 59 119.212 119.212 118.248 0.964 25489 4882 1 9 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.033 -0.564 25489 4883 1 9 . 1 1 59 59 ILE H H 59 7.326 7.326 7.635 -0.309 25489 4884 1 9 . 1 1 60 60 GLU N N 60 119.544 119.544 121.146 -1.602 25489 4885 1 9 . 1 1 60 60 GLU H H 60 7.880 7.880 8.028 -0.148 25489 4886 1 9 . 1 1 61 61 ILE N N 61 118.812 118.812 115.934 2.878 25489 4887 1 9 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.887 -0.445 25489 4888 1 9 . 1 1 61 61 ILE H H 61 7.217 7.217 7.322 -0.105 25489 4889 1 9 . 1 1 62 62 MET N N 62 120.202 120.202 115.028 5.174 25489 4890 1 9 . 1 1 62 62 MET HA H 62 3.419 3.419 4.299 -0.880 25489 4891 1 9 . 1 1 62 62 MET H H 62 7.820 7.820 7.596 0.224 25489 4892 1 9 . 1 1 63 63 GLN N N 63 116.274 116.274 117.052 -0.778 25489 4893 1 9 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.289 -0.048 25489 4894 1 9 . 1 1 63 63 GLN H H 63 7.442 7.442 7.448 -0.006 25489 4895 1 9 . 1 1 64 64 LYS N N 64 121.450 121.450 121.060 0.390 25489 4896 1 9 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.395 0.104 25489 4897 1 9 . 1 1 64 64 LYS H H 64 7.474 7.474 7.341 0.133 25489 4898 1 9 . 1 1 66 66 ARG N N 66 113.173 113.173 117.243 -4.070 25489 4899 1 9 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.647 -0.208 25489 4900 1 9 . 1 1 66 66 ARG H H 66 8.151 8.151 8.045 0.106 25489 4901 1 9 . 1 1 67 67 CYS N N 67 121.794 121.794 120.965 0.829 25489 4902 1 9 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.562 -0.142 25489 4903 1 9 . 1 1 67 67 CYS H H 67 7.709 7.709 9.102 -1.393 25489 4904 1 9 . 1 1 68 68 GLY N N 68 116.255 116.255 117.443 -1.188 25489 4905 1 9 . 1 1 68 68 GLY H H 68 9.707 9.707 8.848 0.859 25489 4906 1 9 . 1 1 69 69 VAL N N 69 126.541 126.541 115.890 10.651 25489 4907 1 9 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.729 -0.922 25489 4908 1 9 . 1 1 69 69 VAL H H 69 9.118 9.118 7.249 1.869 25489 4909 1 9 . 1 1 71 71 ASP N N 71 119.114 119.114 121.244 -2.130 25489 4910 1 9 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.531 -0.048 25489 4911 1 9 . 1 1 71 71 ASP H H 71 8.067 8.067 8.464 -0.397 25489 4912 1 9 . 1 1 72 72 VAL N N 72 112.988 112.988 117.203 -4.215 25489 4913 1 9 . 1 1 72 72 VAL HA H 72 4.281 4.281 2.975 1.306 25489 4914 1 9 . 1 1 72 72 VAL H H 72 6.438 6.438 7.322 -0.883 25489 4915 1 9 . 1 1 73 73 ALA N N 73 125.902 125.902 128.054 -2.152 25489 4916 1 9 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.272 -0.005 25489 4917 1 9 . 1 1 73 73 ALA H H 73 8.171 8.171 6.593 1.578 25489 4918 1 9 . 1 1 74 74 GLU N N 74 120.835 120.835 122.713 -1.878 25489 4919 1 9 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.233 -0.150 25489 4920 1 9 . 1 1 74 74 GLU H H 74 8.385 8.385 8.060 0.325 25489 4921 1 9 . 1 1 75 75 TYR N N 75 121.820 121.820 122.196 -0.376 25489 4922 1 9 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.640 -0.246 25489 4923 1 9 . 1 1 75 75 TYR H H 75 8.102 8.102 7.595 0.507 25489 4924 1 9 . 1 1 76 76 SER N N 76 117.881 117.881 120.281 -2.400 25489 4925 1 9 . 1 1 76 76 SER H H 76 7.718 7.718 8.752 -1.034 25489 4926 1 9 . 1 1 77 77 LEU N N 77 123.835 123.835 123.184 0.651 25489 4927 1 9 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.050 0.042 25489 4928 1 9 . 1 1 77 77 LEU H H 77 8.033 8.033 8.749 -0.716 25489 4929 1 9 . 1 1 78 78 PHE N N 78 118.893 118.893 123.359 -4.466 25489 4930 1 9 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.668 0.177 25489 4931 1 9 . 1 1 78 78 PHE H H 78 7.822 7.822 8.208 -0.386 25489 4932 1 9 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.261 0.070 25489 4933 1 9 . 1 1 80 80 ASN N N 80 118.184 118.184 120.141 -1.957 25489 4934 1 9 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.844 -0.164 25489 4935 1 9 . 1 1 80 80 ASN H H 80 8.106 8.106 8.374 -0.268 25489 4936 1 9 . 1 1 81 81 SER HA H 81 4.636 4.636 4.974 -0.338 25489 4937 1 9 . 1 1 83 83 LYS N N 83 114.696 114.696 113.819 0.877 25489 4938 1 9 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.728 -0.505 25489 4939 1 9 . 1 1 83 83 LYS H H 83 7.361 7.361 7.373 -0.012 25489 4940 1 9 . 1 1 84 84 TRP N N 84 122.459 122.459 123.062 -0.603 25489 4941 1 9 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.729 -0.726 25489 4942 1 9 . 1 1 84 84 TRP H H 84 8.020 8.020 8.694 -0.674 25489 4943 1 9 . 1 1 85 85 THR N N 85 113.482 113.482 117.677 -4.195 25489 4944 1 9 . 1 1 85 85 THR HA H 85 4.586 4.586 4.305 0.281 25489 4945 1 9 . 1 1 85 85 THR H H 85 8.833 8.833 7.851 0.982 25489 4946 1 9 . 1 1 86 86 SER N N 86 117.316 117.316 116.067 1.249 25489 4947 1 9 . 1 1 86 86 SER HA H 86 4.665 4.665 4.322 0.343 25489 4948 1 9 . 1 1 86 86 SER H H 86 7.724 7.724 6.581 1.143 25489 4949 1 9 . 1 1 87 87 LYS N N 87 120.411 120.411 124.458 -4.047 25489 4950 1 9 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.140 -0.001 25489 4951 1 9 . 1 1 87 87 LYS H H 87 8.312 8.312 8.770 -0.458 25489 4952 1 9 . 1 1 88 88 VAL N N 88 117.674 117.674 112.201 5.473 25489 4953 1 9 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.475 0.176 25489 4954 1 9 . 1 1 88 88 VAL H H 88 7.425 7.425 7.491 -0.066 25489 4955 1 9 . 1 1 89 89 VAL N N 89 131.493 131.493 125.358 6.135 25489 4956 1 9 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.548 -0.407 25489 4957 1 9 . 1 1 89 89 VAL H H 89 8.574 8.574 8.825 -0.251 25489 4958 1 9 . 1 1 90 90 THR N N 90 118.245 118.245 119.811 -1.566 25489 4959 1 9 . 1 1 90 90 THR HA H 90 5.627 5.627 5.432 0.195 25489 4960 1 9 . 1 1 90 90 THR H H 90 9.021 9.021 8.578 0.443 25489 4961 1 9 . 1 1 91 91 TYR N N 91 118.267 118.267 123.224 -4.957 25489 4962 1 9 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.740 -0.066 25489 4963 1 9 . 1 1 91 91 TYR H H 91 8.555 8.555 9.234 -0.679 25489 4964 1 9 . 1 1 92 92 ARG N N 92 120.260 120.260 123.995 -3.735 25489 4965 1 9 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.987 -0.341 25489 4966 1 9 . 1 1 92 92 ARG H H 92 8.513 8.513 8.942 -0.429 25489 4967 1 9 . 1 1 93 93 ILE N N 93 128.361 128.361 127.650 0.711 25489 4968 1 9 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.546 0.073 25489 4969 1 9 . 1 1 93 93 ILE H H 93 8.878 8.878 9.086 -0.208 25489 4970 1 9 . 1 1 94 94 VAL N N 94 126.374 126.374 122.318 4.056 25489 4971 1 9 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.405 -0.405 25489 4972 1 9 . 1 1 94 94 VAL H H 94 9.492 9.492 8.923 0.569 25489 4973 1 9 . 1 1 95 95 SER N N 95 113.303 113.303 115.470 -2.167 25489 4974 1 9 . 1 1 95 95 SER HA H 95 4.705 4.705 4.965 -0.260 25489 4975 1 9 . 1 1 95 95 SER H H 95 7.431 7.431 7.656 -0.225 25489 4976 1 9 . 1 1 96 96 TYR N N 96 117.054 117.054 116.477 0.577 25489 4977 1 9 . 1 1 96 96 TYR H H 96 8.255 8.255 8.248 0.007 25489 4978 1 9 . 1 1 98 98 ARG N N 98 128.445 128.445 127.338 1.107 25489 4979 1 9 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.119 0.219 25489 4980 1 9 . 1 1 98 98 ARG H H 98 8.964 8.964 8.477 0.487 25489 4981 1 9 . 1 1 99 99 ASP N N 99 120.412 120.412 118.614 1.798 25489 4982 1 9 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.493 -0.158 25489 4983 1 9 . 1 1 99 99 ASP H H 99 8.695 8.695 7.526 1.169 25489 4984 1 9 . 1 1 100 100 LEU N N 100 116.851 116.851 121.368 -4.517 25489 4985 1 9 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.738 0.195 25489 4986 1 9 . 1 1 100 100 LEU H H 100 6.902 6.902 7.613 -0.711 25489 4987 1 9 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.952 0.215 25489 4988 1 9 . 1 1 103 103 ILE N N 103 115.469 115.469 114.067 1.402 25489 4989 1 9 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.818 0.355 25489 4990 1 9 . 1 1 103 103 ILE H H 103 8.296 8.296 7.958 0.338 25489 4991 1 9 . 1 1 104 104 THR N N 104 119.413 119.413 112.966 6.447 25489 4992 1 9 . 1 1 104 104 THR HA H 104 4.019 4.019 4.172 -0.153 25489 4993 1 9 . 1 1 104 104 THR H H 104 6.915 6.915 7.899 -0.985 25489 4994 1 9 . 1 1 105 105 VAL N N 105 123.232 123.232 122.341 0.891 25489 4995 1 9 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.554 -0.140 25489 4996 1 9 . 1 1 105 105 VAL H H 105 7.379 7.379 7.445 -0.066 25489 4997 1 9 . 1 1 106 106 ASP N N 106 120.160 120.160 119.460 0.700 25489 4998 1 9 . 1 1 106 106 ASP H H 106 8.615 8.615 8.312 0.302 25489 4999 1 9 . 1 1 107 107 ARG N N 107 121.041 121.041 118.469 2.572 25489 5000 1 9 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.144 -0.054 25489 5001 1 9 . 1 1 107 107 ARG H H 107 8.372 8.372 7.760 0.612 25489 5002 1 9 . 1 1 108 108 LEU N N 108 121.644 121.644 120.655 0.989 25489 5003 1 9 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.034 0.219 25489 5004 1 9 . 1 1 108 108 LEU H H 108 8.768 8.768 7.978 0.790 25489 5005 1 9 . 1 1 109 109 VAL N N 109 120.347 120.347 119.419 0.928 25489 5006 1 9 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.457 -0.086 25489 5007 1 9 . 1 1 109 109 VAL H H 109 8.762 8.762 8.012 0.750 25489 5008 1 9 . 1 1 110 110 SER N N 110 112.949 112.949 115.117 -2.168 25489 5009 1 9 . 1 1 110 110 SER HA H 110 4.270 4.270 3.919 0.351 25489 5010 1 9 . 1 1 110 110 SER H H 110 7.605 7.605 7.932 -0.327 25489 5011 1 9 . 1 1 111 111 LYS N N 111 122.434 122.434 121.451 0.983 25489 5012 1 9 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.015 0.027 25489 5013 1 9 . 1 1 111 111 LYS H H 111 8.146 8.146 7.908 0.238 25489 5014 1 9 . 1 1 112 112 ALA N N 112 124.099 124.099 121.728 2.371 25489 5015 1 9 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.775 0.302 25489 5016 1 9 . 1 1 112 112 ALA H H 112 8.270 8.270 7.897 0.373 25489 5017 1 9 . 1 1 113 113 LEU N N 113 116.251 116.251 118.272 -2.021 25489 5018 1 9 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.648 0.074 25489 5019 1 9 . 1 1 113 113 LEU H H 113 8.019 8.019 7.606 0.413 25489 5020 1 9 . 1 1 114 114 ASN N N 114 116.659 116.659 116.267 0.392 25489 5021 1 9 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.492 0.037 25489 5022 1 9 . 1 1 114 114 ASN H H 114 8.197 8.197 7.620 0.577 25489 5023 1 9 . 1 1 115 115 MET N N 115 122.118 122.118 119.435 2.683 25489 5024 1 9 . 1 1 115 115 MET HA H 115 4.013 4.013 4.022 -0.009 25489 5025 1 9 . 1 1 115 115 MET H H 115 7.918 7.918 7.583 0.335 25489 5026 1 9 . 1 1 116 116 TRP N N 116 117.117 117.117 118.364 -1.247 25489 5027 1 9 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.389 0.121 25489 5028 1 9 . 1 1 116 116 TRP H H 116 6.773 6.773 7.365 -0.592 25489 5029 1 9 . 1 1 117 117 GLY N N 117 104.656 104.656 104.309 0.347 25489 5030 1 9 . 1 1 117 117 GLY H H 117 9.305 9.305 8.395 0.910 25489 5031 1 9 . 1 1 118 118 LYS N N 118 118.567 118.567 119.404 -0.837 25489 5032 1 9 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.327 -0.150 25489 5033 1 9 . 1 1 118 118 LYS H H 118 7.947 7.947 7.469 0.478 25489 5034 1 9 . 1 1 119 119 GLU N N 119 113.899 113.899 117.650 -3.751 25489 5035 1 9 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.430 0.378 25489 5036 1 9 . 1 1 119 119 GLU H H 119 7.773 7.773 7.948 -0.175 25489 5037 1 9 . 1 1 120 120 ILE N N 120 111.215 111.215 115.519 -4.304 25489 5038 1 9 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.933 0.388 25489 5039 1 9 . 1 1 120 120 ILE H H 120 7.528 7.528 7.377 0.151 25489 5040 1 9 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.532 0.089 25489 5041 1 9 . 1 1 122 122 LEU N N 122 121.481 121.481 123.566 -2.085 25489 5042 1 9 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.870 -0.578 25489 5043 1 9 . 1 1 122 122 LEU H H 122 6.815 6.815 7.949 -1.134 25489 5044 1 9 . 1 1 123 123 HIS N N 123 120.769 120.769 119.928 0.841 25489 5045 1 9 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.883 -0.291 25489 5046 1 9 . 1 1 123 123 HIS H H 123 7.709 7.709 8.419 -0.710 25489 5047 1 9 . 1 1 124 124 PHE N N 124 120.530 120.530 120.049 0.481 25489 5048 1 9 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.817 0.995 25489 5049 1 9 . 1 1 124 124 PHE H H 124 8.306 8.306 7.592 0.714 25489 5050 1 9 . 1 1 125 125 ARG N N 125 123.891 123.891 123.571 0.320 25489 5051 1 9 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.662 -0.009 25489 5052 1 9 . 1 1 125 125 ARG H H 125 8.408 8.408 8.789 -0.381 25489 5053 1 9 . 1 1 126 126 LYS N N 126 130.178 130.178 126.882 3.296 25489 5054 1 9 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.453 -0.092 25489 5055 1 9 . 1 1 126 126 LYS H H 126 8.468 8.468 8.506 -0.038 25489 5056 1 9 . 1 1 127 127 VAL N N 127 125.180 125.180 126.788 -1.608 25489 5057 1 9 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.093 0.415 25489 5058 1 9 . 1 1 127 127 VAL H H 127 8.679 8.679 8.498 0.181 25489 5059 1 9 . 1 1 128 128 VAL N N 128 117.584 117.584 120.047 -2.463 25489 5060 1 9 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.400 -0.114 25489 5061 1 9 . 1 1 128 128 VAL H H 128 8.469 8.469 8.361 0.108 25489 5062 1 9 . 1 1 129 129 TRP N N 129 119.805 119.805 119.261 0.544 25489 5063 1 9 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.702 -0.016 25489 5064 1 9 . 1 1 129 129 TRP H H 129 7.447 7.447 7.787 -0.340 25489 5065 1 9 . 1 1 130 130 GLY N N 130 109.844 109.844 113.887 -4.043 25489 5066 1 9 . 1 1 130 130 GLY H H 130 8.072 8.072 7.711 0.361 25489 5067 1 9 . 1 1 131 131 THR N N 131 116.125 116.125 112.360 3.765 25489 5068 1 9 . 1 1 131 131 THR HA H 131 4.123 4.123 4.193 -0.070 25489 5069 1 9 . 1 1 131 131 THR H H 131 8.196 8.196 7.982 0.214 25489 5070 1 9 . 1 1 132 132 ALA N N 132 129.613 129.613 130.204 -0.591 25489 5071 1 9 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.438 0.073 25489 5072 1 9 . 1 1 132 132 ALA H H 132 7.919 7.919 8.294 -0.375 25489 5073 1 9 . 1 1 133 133 ASP N N 133 123.004 123.004 121.362 1.642 25489 5074 1 9 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.683 -0.241 25489 5075 1 9 . 1 1 133 133 ASP H H 133 8.248 8.248 8.657 -0.409 25489 5076 1 9 . 1 1 134 134 ILE N N 134 125.478 125.478 122.420 3.058 25489 5077 1 9 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.087 0.006 25489 5078 1 9 . 1 1 134 134 ILE H H 134 8.804 8.804 8.536 0.268 25489 5079 1 9 . 1 1 135 135 MET N N 135 127.471 127.471 128.372 -0.901 25489 5080 1 9 . 1 1 135 135 MET HA H 135 5.194 5.194 5.067 0.127 25489 5081 1 9 . 1 1 135 135 MET H H 135 7.437 7.437 9.176 -1.739 25489 5082 1 9 . 1 1 136 136 ILE N N 136 125.040 125.040 123.758 1.282 25489 5083 1 9 . 1 1 136 136 ILE HA H 136 5.577 5.577 5.036 0.541 25489 5084 1 9 . 1 1 136 136 ILE H H 136 9.085 9.085 8.861 0.224 25489 5085 1 9 . 1 1 137 137 GLY N N 137 112.059 112.059 113.271 -1.212 25489 5086 1 9 . 1 1 137 137 GLY H H 137 8.568 8.568 8.982 -0.414 25489 5087 1 9 . 1 1 138 138 PHE N N 138 119.447 119.447 118.757 0.690 25489 5088 1 9 . 1 1 138 138 PHE HA H 138 5.454 5.454 4.954 0.500 25489 5089 1 9 . 1 1 138 138 PHE H H 138 7.861 7.861 8.831 -0.970 25489 5090 1 9 . 1 1 139 139 ALA N N 139 123.657 123.657 125.786 -2.129 25489 5091 1 9 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.660 0.075 25489 5092 1 9 . 1 1 139 139 ALA H H 139 8.939 8.939 9.169 -0.230 25489 5093 1 9 . 1 1 140 140 ARG N N 140 118.688 118.688 118.800 -0.112 25489 5094 1 9 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.815 0.259 25489 5095 1 9 . 1 1 140 140 ARG H H 140 8.563 8.563 8.542 0.021 25489 5096 1 9 . 1 1 141 141 GLY N N 141 108.964 108.964 107.003 1.961 25489 5097 1 9 . 1 1 141 141 GLY H H 141 9.018 9.018 8.404 0.614 25489 5098 1 9 . 1 1 143 143 HIS N N 143 120.218 120.218 114.235 5.983 25489 5099 1 9 . 1 1 143 143 HIS H H 143 8.998 8.998 7.983 1.015 25489 5100 1 9 . 1 1 145 145 ASP N N 145 117.684 117.684 117.731 -0.047 25489 5101 1 9 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.382 0.318 25489 5102 1 9 . 1 1 145 145 ASP H H 145 7.088 7.088 8.247 -1.159 25489 5103 1 9 . 1 1 146 146 SER HA H 146 4.140 4.140 4.311 -0.171 25489 5104 1 9 . 1 1 146 146 SER H H 146 8.220 8.220 7.263 0.957 25489 5105 1 9 . 1 1 147 147 TYR N N 147 120.867 120.867 121.913 -1.046 25489 5106 1 9 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.217 0.571 25489 5107 1 9 . 1 1 147 147 TYR H H 147 7.459 7.459 8.751 -1.292 25489 5108 1 9 . 1 1 149 149 PHE N N 149 120.630 120.630 120.316 0.314 25489 5109 1 9 . 1 1 149 149 PHE H H 149 8.018 8.018 8.760 -0.742 25489 5110 1 9 . 1 1 150 150 ASP N N 150 115.626 115.626 114.059 1.567 25489 5111 1 9 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.427 0.416 25489 5112 1 9 . 1 1 150 150 ASP H H 150 7.543 7.543 7.914 -0.371 25489 5113 1 9 . 1 1 151 151 GLY N N 151 110.700 110.700 107.200 3.500 25489 5114 1 9 . 1 1 151 151 GLY H H 151 9.074 9.074 8.703 0.371 25489 5115 1 9 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.379 -0.353 25489 5116 1 9 . 1 1 153 153 GLY N N 153 118.786 118.786 116.054 2.732 25489 5117 1 9 . 1 1 153 153 GLY H H 153 11.385 11.385 8.591 2.794 25489 5118 1 9 . 1 1 154 154 ASN N N 154 120.613 120.613 124.405 -3.792 25489 5119 1 9 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.465 -0.267 25489 5120 1 9 . 1 1 154 154 ASN H H 154 9.225 9.225 8.467 0.758 25489 5121 1 9 . 1 1 155 155 THR N N 155 118.700 118.700 115.527 3.173 25489 5122 1 9 . 1 1 155 155 THR HA H 155 5.542 5.542 4.022 1.520 25489 5123 1 9 . 1 1 155 155 THR H H 155 9.519 9.519 8.604 0.915 25489 5124 1 9 . 1 1 156 156 LEU N N 156 122.765 122.765 124.806 -2.041 25489 5125 1 9 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.613 0.329 25489 5126 1 9 . 1 1 156 156 LEU H H 156 8.500 8.500 8.356 0.144 25489 5127 1 9 . 1 1 157 157 ALA N N 157 115.545 115.545 115.766 -0.221 25489 5128 1 9 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.233 -0.226 25489 5129 1 9 . 1 1 157 157 ALA H H 157 7.545 7.545 7.630 -0.085 25489 5130 1 9 . 1 1 158 158 HIS N N 158 111.868 111.868 116.264 -4.396 25489 5131 1 9 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.046 -0.429 25489 5132 1 9 . 1 1 158 158 HIS H H 158 8.774 8.774 8.930 -0.156 25489 5133 1 9 . 1 1 159 159 ALA N N 159 118.565 118.565 121.445 -2.880 25489 5134 1 9 . 1 1 159 159 ALA HA H 159 4.657 4.657 5.121 -0.464 25489 5135 1 9 . 1 1 159 159 ALA H H 159 6.114 6.114 8.261 -2.147 25489 5136 1 9 . 1 1 160 160 PHE N N 160 118.042 118.042 120.179 -2.137 25489 5137 1 9 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.648 -0.167 25489 5138 1 9 . 1 1 160 160 PHE H H 160 7.897 7.897 8.630 -0.733 25489 5139 1 9 . 1 1 161 161 ALA N N 161 123.548 123.548 124.366 -0.818 25489 5140 1 9 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.426 0.057 25489 5141 1 9 . 1 1 161 161 ALA H H 161 8.089 8.089 8.431 -0.342 25489 5142 1 9 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.552 -1.681 25489 5143 1 9 . 1 1 163 163 GLY N N 163 107.255 107.255 110.967 -3.712 25489 5144 1 9 . 1 1 163 163 GLY H H 163 5.992 5.992 7.841 -1.849 25489 5145 1 9 . 1 1 165 165 GLY H H 165 9.149 9.149 8.810 0.339 25489 5146 1 9 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.361 -0.208 25489 5147 1 9 . 1 1 167 167 GLY N N 167 103.338 103.338 105.309 -1.971 25489 5148 1 9 . 1 1 167 167 GLY H H 167 7.774 7.774 7.089 0.685 25489 5149 1 9 . 1 1 168 168 GLY N N 168 121.031 121.031 107.825 13.206 25489 5150 1 9 . 1 1 168 168 GLY H H 168 7.685 7.685 8.497 -0.812 25489 5151 1 9 . 1 1 169 169 ASP N N 169 123.703 123.703 121.691 2.012 25489 5152 1 9 . 1 1 169 169 ASP H H 169 8.578 8.578 7.786 0.792 25489 5153 1 9 . 1 1 170 170 ALA N N 170 119.569 119.569 120.648 -1.079 25489 5154 1 9 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.936 -0.232 25489 5155 1 9 . 1 1 170 170 ALA H H 170 8.371 8.371 7.941 0.430 25489 5156 1 9 . 1 1 171 171 HIS N N 171 120.286 120.286 119.324 0.962 25489 5157 1 9 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.883 0.847 25489 5158 1 9 . 1 1 171 171 HIS H H 171 8.513 8.513 8.626 -0.113 25489 5159 1 9 . 1 1 172 172 PHE N N 172 120.919 120.919 123.684 -2.765 25489 5160 1 9 . 1 1 172 172 PHE H H 172 8.457 8.457 8.452 0.005 25489 5161 1 9 . 1 1 173 173 ASP N N 173 123.993 123.993 120.695 3.298 25489 5162 1 9 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.177 -1.281 25489 5163 1 9 . 1 1 173 173 ASP H H 173 7.915 7.915 8.879 -0.964 25489 5164 1 9 . 1 1 174 174 GLU N N 174 132.684 132.684 127.385 5.299 25489 5165 1 9 . 1 1 174 174 GLU H H 174 9.461 9.461 9.004 0.457 25489 5166 1 9 . 1 1 175 175 ASP N N 175 117.313 117.313 119.463 -2.150 25489 5167 1 9 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.590 0.207 25489 5168 1 9 . 1 1 175 175 ASP H H 175 8.756 8.756 8.282 0.474 25489 5169 1 9 . 1 1 176 176 GLU N N 176 116.511 116.511 119.669 -3.158 25489 5170 1 9 . 1 1 176 176 GLU H H 176 7.154 7.154 8.040 -0.886 25489 5171 1 9 . 1 1 177 177 ARG N N 177 121.920 121.920 124.344 -2.424 25489 5172 1 9 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.191 0.434 25489 5173 1 9 . 1 1 177 177 ARG H H 177 7.555 7.555 8.322 -0.767 25489 5174 1 9 . 1 1 178 178 TRP N N 178 129.182 129.182 123.604 5.578 25489 5175 1 9 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.890 -0.777 25489 5176 1 9 . 1 1 178 178 TRP H H 178 8.788 8.788 8.282 0.506 25489 5177 1 9 . 1 1 179 179 THR N N 179 112.874 112.874 112.727 0.147 25489 5178 1 9 . 1 1 179 179 THR HA H 179 5.015 5.015 4.757 0.258 25489 5179 1 9 . 1 1 179 179 THR H H 179 8.946 8.946 8.779 0.167 25489 5180 1 9 . 1 1 180 180 ASP N N 180 121.969 121.969 123.210 -1.241 25489 5181 1 9 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.854 -0.432 25489 5182 1 9 . 1 1 180 180 ASP H H 180 8.478 8.478 8.753 -0.275 25489 5183 1 9 . 1 1 181 181 GLY N N 181 110.059 110.059 108.193 1.866 25489 5184 1 9 . 1 1 181 181 GLY H H 181 8.572 8.572 8.118 0.454 25489 5185 1 9 . 1 1 182 182 SER N N 182 115.564 115.564 116.265 -0.701 25489 5186 1 9 . 1 1 182 182 SER HA H 182 4.599 4.599 4.528 0.071 25489 5187 1 9 . 1 1 182 182 SER H H 182 8.173 8.173 8.150 0.023 25489 5188 1 9 . 1 1 183 183 SER N N 183 117.066 117.066 114.496 2.570 25489 5189 1 9 . 1 1 183 183 SER H H 183 7.819 7.819 8.381 -0.562 25489 5190 1 9 . 1 1 184 184 LEU N N 184 121.954 121.954 122.889 -0.935 25489 5191 1 9 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.386 -0.024 25489 5192 1 9 . 1 1 184 184 LEU H H 184 8.104 8.104 8.051 0.053 25489 5193 1 9 . 1 1 185 185 GLY N N 185 108.989 108.989 105.039 3.950 25489 5194 1 9 . 1 1 185 185 GLY H H 185 7.954 7.954 7.261 0.693 25489 5195 1 9 . 1 1 186 186 ILE N N 186 123.084 123.084 121.175 1.909 25489 5196 1 9 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.733 0.046 25489 5197 1 9 . 1 1 186 186 ILE H H 186 8.878 8.878 7.746 1.132 25489 5198 1 9 . 1 1 187 187 ASN N N 187 126.999 126.999 125.112 1.887 25489 5199 1 9 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.781 -0.385 25489 5200 1 9 . 1 1 187 187 ASN H H 187 8.575 8.575 7.911 0.664 25489 5201 1 9 . 1 1 188 188 PHE N N 188 129.819 129.819 126.857 2.962 25489 5202 1 9 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.480 0.111 25489 5203 1 9 . 1 1 188 188 PHE H H 188 9.365 9.365 9.065 0.300 25489 5204 1 9 . 1 1 189 189 LEU N N 189 119.292 119.292 122.103 -2.811 25489 5205 1 9 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.677 0.156 25489 5206 1 9 . 1 1 189 189 LEU H H 189 8.551 8.551 8.458 0.093 25489 5207 1 9 . 1 1 191 191 ALA N N 191 120.347 120.347 120.485 -0.138 25489 5208 1 9 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.368 -0.071 25489 5209 1 9 . 1 1 191 191 ALA H H 191 7.973 7.973 7.241 0.732 25489 5210 1 9 . 1 1 192 192 ALA N N 192 121.365 121.365 119.966 1.399 25489 5211 1 9 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.045 -0.028 25489 5212 1 9 . 1 1 192 192 ALA H H 192 9.258 9.258 7.957 1.301 25489 5213 1 9 . 1 1 193 193 THR N N 193 117.027 117.027 113.008 4.019 25489 5214 1 9 . 1 1 193 193 THR HA H 193 3.825 3.825 3.931 -0.106 25489 5215 1 9 . 1 1 193 193 THR H H 193 8.209 8.209 7.875 0.334 25489 5216 1 9 . 1 1 194 194 HIS N N 194 120.231 120.231 122.599 -2.368 25489 5217 1 9 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.521 -0.288 25489 5218 1 9 . 1 1 194 194 HIS H H 194 7.805 7.805 7.764 0.041 25489 5219 1 9 . 1 1 195 195 ALA N N 195 121.346 121.346 121.613 -0.267 25489 5220 1 9 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.113 0.067 25489 5221 1 9 . 1 1 195 195 ALA H H 195 8.693 8.693 8.009 0.684 25489 5222 1 9 . 1 1 196 196 LEU N N 196 114.951 114.951 116.445 -1.494 25489 5223 1 9 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.292 -0.134 25489 5224 1 9 . 1 1 196 196 LEU H H 196 8.714 8.714 7.569 1.145 25489 5225 1 9 . 1 1 197 197 GLY N N 197 107.954 107.954 106.806 1.148 25489 5226 1 9 . 1 1 197 197 GLY H H 197 7.540 7.540 7.948 -0.408 25489 5227 1 9 . 1 1 198 198 HIS N N 198 121.996 121.996 118.629 3.367 25489 5228 1 9 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.684 0.125 25489 5229 1 9 . 1 1 198 198 HIS H H 198 7.205 7.205 7.318 -0.113 25489 5230 1 9 . 1 1 199 199 SER N N 199 118.570 118.570 114.051 4.519 25489 5231 1 9 . 1 1 199 199 SER HA H 199 4.448 4.448 4.389 0.059 25489 5232 1 9 . 1 1 199 199 SER H H 199 7.886 7.886 8.278 -0.392 25489 5233 1 9 . 1 1 200 200 LEU N N 200 114.779 114.779 118.013 -3.234 25489 5234 1 9 . 1 1 200 200 LEU H H 200 7.106 7.106 8.065 -0.959 25489 5235 1 9 . 1 1 201 201 GLY N N 201 108.350 108.350 105.858 2.492 25489 5236 1 9 . 1 1 201 201 GLY H H 201 8.213 8.213 7.214 0.999 25489 5237 1 9 . 1 1 202 202 MET N N 202 119.623 119.623 119.863 -0.240 25489 5238 1 9 . 1 1 202 202 MET HA H 202 4.484 4.484 4.541 -0.057 25489 5239 1 9 . 1 1 202 202 MET H H 202 8.189 8.189 7.349 0.840 25489 5240 1 9 . 1 1 203 203 GLY N N 203 109.770 109.770 107.295 2.475 25489 5241 1 9 . 1 1 203 203 GLY H H 203 8.413 8.413 8.323 0.090 25489 5242 1 9 . 1 1 204 204 HIS N N 204 115.793 115.793 117.133 -1.340 25489 5243 1 9 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.853 0.521 25489 5244 1 9 . 1 1 204 204 HIS H H 204 8.383 8.383 8.381 0.002 25489 5245 1 9 . 1 1 205 205 SER N N 205 115.497 115.497 115.579 -0.082 25489 5246 1 9 . 1 1 205 205 SER HA H 205 4.721 4.721 4.695 0.026 25489 5247 1 9 . 1 1 205 205 SER H H 205 7.223 7.223 8.186 -0.963 25489 5248 1 9 . 1 1 206 206 SER N N 206 119.268 119.268 118.586 0.682 25489 5249 1 9 . 1 1 206 206 SER HA H 206 3.721 3.721 4.637 -0.916 25489 5250 1 9 . 1 1 206 206 SER H H 206 8.290 8.290 9.014 -0.724 25489 5251 1 9 . 1 1 207 207 ASP N N 207 126.656 126.656 122.572 4.084 25489 5252 1 9 . 1 1 207 207 ASP H H 207 8.541 8.541 7.721 0.821 25489 5253 1 9 . 1 1 209 209 ASN N N 209 115.911 115.911 113.185 2.726 25489 5254 1 9 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.547 0.069 25489 5255 1 9 . 1 1 209 209 ASN H H 209 8.374 8.374 7.953 0.421 25489 5256 1 9 . 1 1 210 210 ALA N N 210 124.929 124.929 121.784 3.145 25489 5257 1 9 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.531 -0.377 25489 5258 1 9 . 1 1 210 210 ALA H H 210 8.182 8.182 7.590 0.592 25489 5259 1 9 . 1 1 211 211 VAL N N 211 130.383 130.383 124.615 5.768 25489 5260 1 9 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.615 0.635 25489 5261 1 9 . 1 1 211 211 VAL H H 211 11.554 11.554 9.140 2.414 25489 5262 1 9 . 1 1 212 212 MET N N 212 113.319 113.319 115.734 -2.415 25489 5263 1 9 . 1 1 212 212 MET H H 212 7.741 7.741 8.743 -1.002 25489 5264 1 9 . 1 1 213 213 TYR N N 213 130.006 130.006 123.924 6.082 25489 5265 1 9 . 1 1 213 213 TYR H H 213 7.899 7.899 7.489 0.410 25489 5266 1 9 . 1 1 215 215 THR N N 215 104.747 104.747 106.436 -1.689 25489 5267 1 9 . 1 1 215 215 THR HA H 215 4.404 4.404 4.653 -0.249 25489 5268 1 9 . 1 1 215 215 THR H H 215 6.402 6.402 6.996 -0.594 25489 5269 1 9 . 1 1 216 216 TYR N N 216 124.699 124.699 121.604 3.095 25489 5270 1 9 . 1 1 216 216 TYR H H 216 8.341 8.341 8.871 -0.530 25489 5271 1 9 . 1 1 217 217 GLY N N 217 116.288 116.288 113.466 2.822 25489 5272 1 9 . 1 1 217 217 GLY H H 217 7.685 7.685 7.524 0.161 25489 5273 1 9 . 1 1 218 218 ASN N N 218 119.920 119.920 117.245 2.675 25489 5274 1 9 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.502 0.118 25489 5275 1 9 . 1 1 218 218 ASN H H 218 8.221 8.221 8.547 -0.326 25489 5276 1 9 . 1 1 219 219 GLY N N 219 109.601 109.601 107.522 2.079 25489 5277 1 9 . 1 1 219 219 GLY H H 219 8.072 8.072 7.508 0.564 25489 5278 1 9 . 1 1 220 220 ASP N N 220 123.006 123.006 123.156 -0.150 25489 5279 1 9 . 1 1 220 220 ASP H H 220 8.280 8.280 8.133 0.147 25489 5280 1 9 . 1 1 222 222 GLN N N 222 116.642 116.642 123.581 -6.939 25489 5281 1 9 . 1 1 222 222 GLN H H 222 8.215 8.215 8.713 -0.498 25489 5282 1 9 . 1 1 223 223 ASN N N 223 118.361 118.361 116.524 1.837 25489 5283 1 9 . 1 1 223 223 ASN H H 223 7.970 7.970 8.040 -0.070 25489 5284 1 9 . 1 1 225 225 LYS N N 225 122.215 122.215 125.330 -3.115 25489 5285 1 9 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.696 -0.280 25489 5286 1 9 . 1 1 225 225 LYS H H 225 7.656 7.656 7.977 -0.321 25489 5287 1 9 . 1 1 226 226 LEU N N 226 119.165 119.165 124.723 -5.558 25489 5288 1 9 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.394 -0.306 25489 5289 1 9 . 1 1 226 226 LEU H H 226 7.984 7.984 8.384 -0.400 25489 5290 1 9 . 1 1 227 227 SER N N 227 120.520 120.520 119.172 1.348 25489 5291 1 9 . 1 1 227 227 SER HA H 227 4.676 4.676 4.437 0.239 25489 5292 1 9 . 1 1 227 227 SER H H 227 9.646 9.646 9.501 0.145 25489 5293 1 9 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.132 0.542 25489 5294 1 9 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.358 0.016 25489 5295 1 9 . 1 1 229 229 ASP H H 229 8.113 8.113 7.884 0.229 25489 5296 1 9 . 1 1 230 230 ASP N N 230 119.878 119.878 119.163 0.715 25489 5297 1 9 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.537 -0.199 25489 5298 1 9 . 1 1 230 230 ASP H H 230 7.397 7.397 7.837 -0.440 25489 5299 1 9 . 1 1 231 231 ILE N N 231 120.389 120.389 121.124 -0.735 25489 5300 1 9 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.699 -0.044 25489 5301 1 9 . 1 1 231 231 ILE H H 231 8.100 8.100 8.093 0.007 25489 5302 1 9 . 1 1 232 232 LYS N N 232 119.084 119.084 120.312 -1.228 25489 5303 1 9 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.970 0.125 25489 5304 1 9 . 1 1 232 232 LYS H H 232 8.581 8.581 8.526 0.055 25489 5305 1 9 . 1 1 233 233 GLY N N 233 106.424 106.424 107.359 -0.935 25489 5306 1 9 . 1 1 233 233 GLY H H 233 8.061 8.061 7.783 0.278 25489 5307 1 9 . 1 1 234 234 ILE N N 234 125.166 125.166 121.484 3.682 25489 5308 1 9 . 1 1 234 234 ILE H H 234 8.517 8.517 7.860 0.657 25489 5309 1 9 . 1 1 235 235 GLN N N 235 122.969 122.969 119.758 3.211 25489 5310 1 9 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.077 0.304 25489 5311 1 9 . 1 1 235 235 GLN H H 235 8.291 8.291 8.118 0.173 25489 5312 1 9 . 1 1 236 236 LYS N N 236 123.770 123.770 119.584 4.186 25489 5313 1 9 . 1 1 236 236 LYS H H 236 8.035 8.035 7.545 0.490 25489 5314 1 9 . 1 1 237 237 LEU N N 237 116.854 116.854 118.529 -1.675 25489 5315 1 9 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.934 0.025 25489 5316 1 9 . 1 1 237 237 LEU H H 237 6.886 6.886 7.437 -0.551 25489 5317 1 9 . 1 1 238 238 TYR N N 238 112.132 112.132 115.619 -3.487 25489 5318 1 9 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.658 -0.032 25489 5319 1 9 . 1 1 238 238 TYR H H 238 7.459 7.459 7.547 -0.088 25489 5320 1 9 . 1 1 239 239 GLY N N 239 110.898 110.898 108.530 2.368 25489 5321 1 9 . 1 1 239 239 GLY H H 239 8.442 8.442 7.343 1.099 25489 5322 1 9 . 1 1 240 240 LYS N N 240 114.400 114.400 120.288 -5.888 25489 5323 1 9 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.440 0.364 25489 5324 1 9 . 1 1 240 240 LYS H H 240 7.865 7.865 8.460 -0.595 25489 5325 1 9 . 1 1 241 241 ARG N N 241 123.851 123.851 123.082 0.769 25489 5326 1 9 . 1 1 241 241 ARG H H 241 7.760 7.760 8.549 -0.789 25489 5327 1 9 . 1 1 242 242 SER N N 242 135.647 135.647 118.235 17.412 25489 5328 1 9 . 1 1 242 242 SER H H 242 9.158 9.158 8.506 0.652 25489 5329 1 10 . 1 1 3 3 GLU N N 3 121.690 121.690 122.929 -1.239 25489 5330 1 10 . 1 1 3 3 GLU H H 3 8.332 8.332 8.993 -0.661 25489 5331 1 10 . 1 1 4 4 ALA N N 4 124.526 124.526 120.269 4.257 25489 5332 1 10 . 1 1 4 4 ALA H H 4 8.111 8.111 8.288 -0.177 25489 5333 1 10 . 1 1 5 5 GLY N N 5 108.229 108.229 105.491 2.738 25489 5334 1 10 . 1 1 5 5 GLY H H 5 8.286 8.286 8.080 0.206 25489 5335 1 10 . 1 1 6 6 GLY N N 6 108.867 108.867 108.667 0.200 25489 5336 1 10 . 1 1 6 6 GLY H H 6 8.239 8.239 7.600 0.639 25489 5337 1 10 . 1 1 7 7 MET N N 7 119.984 119.984 120.502 -0.518 25489 5338 1 10 . 1 1 7 7 MET H H 7 8.044 8.044 7.476 0.568 25489 5339 1 10 . 1 1 8 8 SER N N 8 118.771 118.771 119.533 -0.762 25489 5340 1 10 . 1 1 8 8 SER HA H 8 4.239 4.239 4.440 -0.201 25489 5341 1 10 . 1 1 8 8 SER H H 8 8.738 8.738 8.449 0.289 25489 5342 1 10 . 1 1 9 9 GLU N N 9 122.551 122.551 128.137 -5.586 25489 5343 1 10 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.037 0.215 25489 5344 1 10 . 1 1 9 9 GLU H H 9 8.919 8.919 8.882 0.037 25489 5345 1 10 . 1 1 10 10 LEU N N 10 120.638 120.638 120.082 0.556 25489 5346 1 10 . 1 1 10 10 LEU H H 10 8.017 8.017 7.388 0.629 25489 5347 1 10 . 1 1 11 11 GLN N N 11 119.889 119.889 119.070 0.819 25489 5348 1 10 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.985 0.149 25489 5349 1 10 . 1 1 11 11 GLN H H 11 7.807 7.807 7.927 -0.120 25489 5350 1 10 . 1 1 12 12 TRP N N 12 120.951 120.951 119.608 1.343 25489 5351 1 10 . 1 1 12 12 TRP H H 12 8.202 8.202 7.871 0.331 25489 5352 1 10 . 1 1 13 13 GLU N N 13 121.870 121.870 119.566 2.304 25489 5353 1 10 . 1 1 13 13 GLU H H 13 8.436 8.436 7.606 0.830 25489 5354 1 10 . 1 1 14 14 GLN N N 14 120.646 120.646 119.376 1.270 25489 5355 1 10 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.835 0.334 25489 5356 1 10 . 1 1 14 14 GLN H H 14 8.159 8.159 8.088 0.071 25489 5357 1 10 . 1 1 15 15 ALA N N 15 123.216 123.216 121.516 1.700 25489 5358 1 10 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.761 0.577 25489 5359 1 10 . 1 1 15 15 ALA H H 15 8.355 8.355 7.456 0.899 25489 5360 1 10 . 1 1 16 16 GLN N N 16 117.766 117.766 117.894 -0.128 25489 5361 1 10 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.904 -0.199 25489 5362 1 10 . 1 1 16 16 GLN H H 16 8.440 8.440 8.125 0.315 25489 5363 1 10 . 1 1 17 17 ASP N N 17 120.090 120.090 119.548 0.542 25489 5364 1 10 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.453 0.010 25489 5365 1 10 . 1 1 17 17 ASP H H 17 7.899 7.899 7.937 -0.038 25489 5366 1 10 . 1 1 18 18 TYR N N 18 122.296 122.296 119.097 3.199 25489 5367 1 10 . 1 1 18 18 TYR H H 18 8.264 8.264 8.418 -0.154 25489 5368 1 10 . 1 1 19 19 LEU N N 19 117.675 117.675 120.298 -2.623 25489 5369 1 10 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.178 -0.053 25489 5370 1 10 . 1 1 19 19 LEU H H 19 8.687 8.687 8.296 0.391 25489 5371 1 10 . 1 1 20 20 LYS N N 20 124.620 124.620 118.091 6.529 25489 5372 1 10 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.315 -0.172 25489 5373 1 10 . 1 1 20 20 LYS H H 20 8.790 8.790 7.793 0.997 25489 5374 1 10 . 1 1 21 21 ARG N N 21 117.608 117.608 117.638 -0.030 25489 5375 1 10 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.172 -0.475 25489 5376 1 10 . 1 1 21 21 ARG H H 21 7.835 7.835 7.509 0.326 25489 5377 1 10 . 1 1 22 22 PHE N N 22 112.136 112.136 117.297 -5.161 25489 5378 1 10 . 1 1 22 22 PHE H H 22 8.003 8.003 7.959 0.044 25489 5379 1 10 . 1 1 23 23 TYR N N 23 116.244 116.244 116.806 -0.562 25489 5380 1 10 . 1 1 23 23 TYR H H 23 7.678 7.678 8.557 -0.879 25489 5381 1 10 . 1 1 24 24 LEU N N 24 115.582 115.582 115.918 -0.336 25489 5382 1 10 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.723 -0.588 25489 5383 1 10 . 1 1 24 24 LEU H H 24 7.238 7.238 7.934 -0.696 25489 5384 1 10 . 1 1 25 25 TYR N N 25 119.996 119.996 124.903 -4.907 25489 5385 1 10 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.555 -0.150 25489 5386 1 10 . 1 1 25 25 TYR H H 25 7.826 7.826 8.683 -0.857 25489 5387 1 10 . 1 1 26 26 ASP N N 26 129.292 129.292 127.662 1.630 25489 5388 1 10 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.643 -0.182 25489 5389 1 10 . 1 1 26 26 ASP H H 26 8.121 8.121 8.370 -0.249 25489 5390 1 10 . 1 1 28 28 GLU N N 28 122.115 122.115 120.825 1.290 25489 5391 1 10 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.207 0.074 25489 5392 1 10 . 1 1 28 28 GLU H H 28 8.262 8.262 7.900 0.362 25489 5393 1 10 . 1 1 29 29 THR N N 29 114.171 114.171 113.008 1.163 25489 5394 1 10 . 1 1 29 29 THR HA H 29 4.222 4.222 4.314 -0.092 25489 5395 1 10 . 1 1 29 29 THR H H 29 7.496 7.496 7.663 -0.167 25489 5396 1 10 . 1 1 30 30 LYS N N 30 123.019 123.019 123.526 -0.507 25489 5397 1 10 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.461 -0.243 25489 5398 1 10 . 1 1 30 30 LYS H H 30 8.154 8.154 7.464 0.690 25489 5399 1 10 . 1 1 32 32 ALA N N 32 126.481 126.481 128.953 -2.472 25489 5400 1 10 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.063 0.187 25489 5401 1 10 . 1 1 32 32 ALA H H 32 8.424 8.424 8.968 -0.544 25489 5402 1 10 . 1 1 33 33 ASN N N 33 116.834 116.834 116.086 0.748 25489 5403 1 10 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.594 0.104 25489 5404 1 10 . 1 1 33 33 ASN H H 33 8.312 8.312 8.353 -0.041 25489 5405 1 10 . 1 1 34 34 SER N N 34 116.960 116.960 116.451 0.509 25489 5406 1 10 . 1 1 34 34 SER HA H 34 4.522 4.522 4.374 0.148 25489 5407 1 10 . 1 1 34 34 SER H H 34 8.112 8.112 7.813 0.299 25489 5408 1 10 . 1 1 35 35 LEU N N 35 125.335 125.335 124.217 1.118 25489 5409 1 10 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.134 -0.583 25489 5410 1 10 . 1 1 35 35 LEU H H 35 8.324 8.324 8.289 0.035 25489 5411 1 10 . 1 1 36 36 GLU N N 36 119.302 119.302 119.970 -0.668 25489 5412 1 10 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.056 -0.113 25489 5413 1 10 . 1 1 36 36 GLU H H 36 8.239 8.239 8.115 0.124 25489 5414 1 10 . 1 1 37 37 ALA N N 37 120.683 120.683 120.911 -0.228 25489 5415 1 10 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.142 -0.095 25489 5416 1 10 . 1 1 37 37 ALA H H 37 7.898 7.898 7.572 0.326 25489 5417 1 10 . 1 1 38 38 LYS N N 38 119.470 119.470 118.914 0.556 25489 5418 1 10 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.158 0.175 25489 5419 1 10 . 1 1 38 38 LYS H H 38 8.217 8.217 7.706 0.511 25489 5420 1 10 . 1 1 39 39 LEU N N 39 122.664 122.664 119.644 3.020 25489 5421 1 10 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.885 0.029 25489 5422 1 10 . 1 1 39 39 LEU H H 39 8.658 8.658 8.655 0.003 25489 5423 1 10 . 1 1 40 40 LYS N N 40 118.301 118.301 119.137 -0.836 25489 5424 1 10 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.962 0.711 25489 5425 1 10 . 1 1 40 40 LYS H H 40 8.221 8.221 7.523 0.698 25489 5426 1 10 . 1 1 41 41 GLU N N 41 121.462 121.462 119.976 1.486 25489 5427 1 10 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.134 -0.066 25489 5428 1 10 . 1 1 41 41 GLU H H 41 7.736 7.736 8.040 -0.304 25489 5429 1 10 . 1 1 42 42 MET N N 42 123.761 123.761 119.891 3.870 25489 5430 1 10 . 1 1 42 42 MET HA H 42 4.046 4.046 4.539 -0.493 25489 5431 1 10 . 1 1 42 42 MET H H 42 7.672 7.672 7.506 0.166 25489 5432 1 10 . 1 1 43 43 GLN N N 43 120.035 120.035 118.628 1.407 25489 5433 1 10 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.100 -0.304 25489 5434 1 10 . 1 1 43 43 GLN H H 43 8.904 8.904 7.925 0.979 25489 5435 1 10 . 1 1 44 44 LYS N N 44 119.131 119.131 119.285 -0.154 25489 5436 1 10 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.168 -0.116 25489 5437 1 10 . 1 1 44 44 LYS H H 44 8.511 8.511 8.480 0.031 25489 5438 1 10 . 1 1 45 45 PHE N N 45 123.544 123.544 120.415 3.129 25489 5439 1 10 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.297 -0.447 25489 5440 1 10 . 1 1 45 45 PHE H H 45 8.438 8.438 7.706 0.732 25489 5441 1 10 . 1 1 46 46 PHE N N 46 112.789 112.789 116.160 -3.371 25489 5442 1 10 . 1 1 46 46 PHE HA H 46 4.582 4.582 3.917 0.665 25489 5443 1 10 . 1 1 46 46 PHE H H 46 8.273 8.273 7.823 0.450 25489 5444 1 10 . 1 1 47 47 GLY N N 47 110.408 110.408 105.046 5.362 25489 5445 1 10 . 1 1 47 47 GLY H H 47 7.922 7.922 7.500 0.422 25489 5446 1 10 . 1 1 48 48 LEU N N 48 121.853 121.853 121.978 -0.125 25489 5447 1 10 . 1 1 48 48 LEU H H 48 8.747 8.747 7.451 1.296 25489 5448 1 10 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.438 -0.237 25489 5449 1 10 . 1 1 50 50 ILE N N 50 127.000 127.000 122.250 4.750 25489 5450 1 10 . 1 1 50 50 ILE H H 50 8.529 8.529 7.612 0.917 25489 5451 1 10 . 1 1 51 51 THR N N 51 116.519 116.519 116.925 -0.406 25489 5452 1 10 . 1 1 51 51 THR H H 51 7.980 7.980 8.317 -0.337 25489 5453 1 10 . 1 1 52 52 GLY N N 52 112.725 112.725 112.454 0.271 25489 5454 1 10 . 1 1 52 52 GLY H H 52 9.483 9.483 9.494 -0.011 25489 5455 1 10 . 1 1 53 53 MET N N 53 116.735 116.735 120.047 -3.312 25489 5456 1 10 . 1 1 53 53 MET HA H 53 4.044 4.044 4.763 -0.719 25489 5457 1 10 . 1 1 53 53 MET H H 53 7.969 7.969 8.017 -0.048 25489 5458 1 10 . 1 1 54 54 LEU N N 54 122.602 122.602 128.170 -5.568 25489 5459 1 10 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.617 -0.911 25489 5460 1 10 . 1 1 54 54 LEU H H 54 7.926 7.926 8.566 -0.640 25489 5461 1 10 . 1 1 55 55 ASN N N 55 115.755 115.755 119.853 -4.098 25489 5462 1 10 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.735 0.005 25489 5463 1 10 . 1 1 55 55 ASN H H 55 6.555 6.555 8.948 -2.393 25489 5464 1 10 . 1 1 56 56 SER N N 56 121.450 121.450 116.929 4.521 25489 5465 1 10 . 1 1 56 56 SER HA H 56 4.662 4.662 4.805 -0.143 25489 5466 1 10 . 1 1 56 56 SER H H 56 8.205 8.205 7.796 0.409 25489 5467 1 10 . 1 1 57 57 ARG N N 57 123.219 123.219 120.300 2.919 25489 5468 1 10 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.081 0.125 25489 5469 1 10 . 1 1 57 57 ARG H H 57 7.883 7.883 8.573 -0.690 25489 5470 1 10 . 1 1 58 58 VAL N N 58 118.843 118.843 116.947 1.896 25489 5471 1 10 . 1 1 58 58 VAL HA H 58 3.300 3.300 2.314 0.986 25489 5472 1 10 . 1 1 58 58 VAL H H 58 7.594 7.594 7.694 -0.100 25489 5473 1 10 . 1 1 59 59 ILE N N 59 119.212 119.212 117.425 1.787 25489 5474 1 10 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.187 -0.718 25489 5475 1 10 . 1 1 59 59 ILE H H 59 7.326 7.326 7.713 -0.387 25489 5476 1 10 . 1 1 60 60 GLU N N 60 119.544 119.544 120.777 -1.233 25489 5477 1 10 . 1 1 60 60 GLU H H 60 7.880 7.880 7.708 0.172 25489 5478 1 10 . 1 1 61 61 ILE N N 61 118.812 118.812 115.040 3.772 25489 5479 1 10 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.853 -0.411 25489 5480 1 10 . 1 1 61 61 ILE H H 61 7.217 7.217 7.187 0.030 25489 5481 1 10 . 1 1 62 62 MET N N 62 120.202 120.202 116.968 3.234 25489 5482 1 10 . 1 1 62 62 MET HA H 62 3.419 3.419 4.106 -0.687 25489 5483 1 10 . 1 1 62 62 MET H H 62 7.820 7.820 7.631 0.189 25489 5484 1 10 . 1 1 63 63 GLN N N 63 116.274 116.274 114.939 1.335 25489 5485 1 10 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.280 -0.039 25489 5486 1 10 . 1 1 63 63 GLN H H 63 7.442 7.442 8.221 -0.779 25489 5487 1 10 . 1 1 64 64 LYS N N 64 121.450 121.450 119.985 1.465 25489 5488 1 10 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.421 0.078 25489 5489 1 10 . 1 1 64 64 LYS H H 64 7.474 7.474 7.301 0.173 25489 5490 1 10 . 1 1 66 66 ARG N N 66 113.173 113.173 122.898 -9.725 25489 5491 1 10 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.693 -0.254 25489 5492 1 10 . 1 1 66 66 ARG H H 66 8.151 8.151 7.924 0.227 25489 5493 1 10 . 1 1 67 67 CYS N N 67 121.794 121.794 120.927 0.867 25489 5494 1 10 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.842 -0.422 25489 5495 1 10 . 1 1 67 67 CYS H H 67 7.709 7.709 9.017 -1.308 25489 5496 1 10 . 1 1 68 68 GLY N N 68 116.255 116.255 117.331 -1.076 25489 5497 1 10 . 1 1 68 68 GLY H H 68 9.707 9.707 8.989 0.718 25489 5498 1 10 . 1 1 69 69 VAL N N 69 126.541 126.541 115.625 10.916 25489 5499 1 10 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.755 -0.948 25489 5500 1 10 . 1 1 69 69 VAL H H 69 9.118 9.118 7.323 1.795 25489 5501 1 10 . 1 1 71 71 ASP N N 71 119.114 119.114 120.849 -1.735 25489 5502 1 10 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.685 -0.202 25489 5503 1 10 . 1 1 71 71 ASP H H 71 8.067 8.067 8.439 -0.372 25489 5504 1 10 . 1 1 72 72 VAL N N 72 112.988 112.988 117.292 -4.304 25489 5505 1 10 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.587 0.694 25489 5506 1 10 . 1 1 72 72 VAL H H 72 6.438 6.438 7.532 -1.094 25489 5507 1 10 . 1 1 73 73 ALA N N 73 125.902 125.902 129.620 -3.718 25489 5508 1 10 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.283 -0.016 25489 5509 1 10 . 1 1 73 73 ALA H H 73 8.171 8.171 6.561 1.610 25489 5510 1 10 . 1 1 74 74 GLU N N 74 120.835 120.835 121.910 -1.075 25489 5511 1 10 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.294 -0.211 25489 5512 1 10 . 1 1 74 74 GLU H H 74 8.385 8.385 8.095 0.290 25489 5513 1 10 . 1 1 75 75 TYR N N 75 121.820 121.820 119.323 2.497 25489 5514 1 10 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.787 -0.393 25489 5515 1 10 . 1 1 75 75 TYR H H 75 8.102 8.102 7.454 0.648 25489 5516 1 10 . 1 1 76 76 SER N N 76 117.881 117.881 118.272 -0.391 25489 5517 1 10 . 1 1 76 76 SER H H 76 7.718 7.718 8.808 -1.090 25489 5518 1 10 . 1 1 77 77 LEU N N 77 123.835 123.835 121.609 2.226 25489 5519 1 10 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.137 -0.045 25489 5520 1 10 . 1 1 77 77 LEU H H 77 8.033 8.033 8.733 -0.700 25489 5521 1 10 . 1 1 78 78 PHE N N 78 118.893 118.893 124.293 -5.400 25489 5522 1 10 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.619 0.226 25489 5523 1 10 . 1 1 78 78 PHE H H 78 7.822 7.822 7.513 0.309 25489 5524 1 10 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.010 0.321 25489 5525 1 10 . 1 1 80 80 ASN N N 80 118.184 118.184 119.973 -1.789 25489 5526 1 10 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.695 -0.015 25489 5527 1 10 . 1 1 80 80 ASN H H 80 8.106 8.106 8.045 0.061 25489 5528 1 10 . 1 1 81 81 SER HA H 81 4.636 4.636 4.943 -0.307 25489 5529 1 10 . 1 1 83 83 LYS N N 83 114.696 114.696 115.578 -0.882 25489 5530 1 10 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.522 -0.299 25489 5531 1 10 . 1 1 83 83 LYS H H 83 7.361 7.361 7.459 -0.098 25489 5532 1 10 . 1 1 84 84 TRP N N 84 122.459 122.459 122.474 -0.015 25489 5533 1 10 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.655 -0.652 25489 5534 1 10 . 1 1 84 84 TRP H H 84 8.020 8.020 8.578 -0.558 25489 5535 1 10 . 1 1 85 85 THR N N 85 113.482 113.482 118.561 -5.079 25489 5536 1 10 . 1 1 85 85 THR HA H 85 4.586 4.586 4.383 0.203 25489 5537 1 10 . 1 1 85 85 THR H H 85 8.833 8.833 8.240 0.593 25489 5538 1 10 . 1 1 86 86 SER N N 86 117.316 117.316 116.273 1.043 25489 5539 1 10 . 1 1 86 86 SER HA H 86 4.665 4.665 4.200 0.465 25489 5540 1 10 . 1 1 86 86 SER H H 86 7.724 7.724 7.095 0.629 25489 5541 1 10 . 1 1 87 87 LYS N N 87 120.411 120.411 123.517 -3.106 25489 5542 1 10 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.158 -0.019 25489 5543 1 10 . 1 1 87 87 LYS H H 87 8.312 8.312 8.692 -0.380 25489 5544 1 10 . 1 1 88 88 VAL N N 88 117.674 117.674 111.288 6.386 25489 5545 1 10 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.528 0.123 25489 5546 1 10 . 1 1 88 88 VAL H H 88 7.425 7.425 7.413 0.012 25489 5547 1 10 . 1 1 89 89 VAL N N 89 131.493 131.493 126.590 4.903 25489 5548 1 10 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.740 -0.599 25489 5549 1 10 . 1 1 89 89 VAL H H 89 8.574 8.574 9.027 -0.453 25489 5550 1 10 . 1 1 90 90 THR N N 90 118.245 118.245 118.849 -0.604 25489 5551 1 10 . 1 1 90 90 THR HA H 90 5.627 5.627 5.256 0.371 25489 5552 1 10 . 1 1 90 90 THR H H 90 9.021 9.021 8.657 0.364 25489 5553 1 10 . 1 1 91 91 TYR N N 91 118.267 118.267 119.906 -1.639 25489 5554 1 10 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.704 -0.030 25489 5555 1 10 . 1 1 91 91 TYR H H 91 8.555 8.555 8.972 -0.417 25489 5556 1 10 . 1 1 92 92 ARG N N 92 120.260 120.260 122.633 -2.373 25489 5557 1 10 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.759 -0.113 25489 5558 1 10 . 1 1 92 92 ARG H H 92 8.513 8.513 8.273 0.240 25489 5559 1 10 . 1 1 93 93 ILE N N 93 128.361 128.361 126.045 2.316 25489 5560 1 10 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.634 -0.015 25489 5561 1 10 . 1 1 93 93 ILE H H 93 8.878 8.878 8.858 0.020 25489 5562 1 10 . 1 1 94 94 VAL N N 94 126.374 126.374 122.499 3.875 25489 5563 1 10 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.125 -0.125 25489 5564 1 10 . 1 1 94 94 VAL H H 94 9.492 9.492 8.191 1.302 25489 5565 1 10 . 1 1 95 95 SER N N 95 113.303 113.303 114.303 -1.000 25489 5566 1 10 . 1 1 95 95 SER HA H 95 4.705 4.705 4.784 -0.079 25489 5567 1 10 . 1 1 95 95 SER H H 95 7.431 7.431 7.512 -0.081 25489 5568 1 10 . 1 1 96 96 TYR N N 96 117.054 117.054 120.342 -3.288 25489 5569 1 10 . 1 1 96 96 TYR H H 96 8.255 8.255 8.192 0.063 25489 5570 1 10 . 1 1 98 98 ARG N N 98 128.445 128.445 126.407 2.038 25489 5571 1 10 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.292 0.046 25489 5572 1 10 . 1 1 98 98 ARG H H 98 8.964 8.964 8.806 0.158 25489 5573 1 10 . 1 1 99 99 ASP N N 99 120.412 120.412 117.824 2.588 25489 5574 1 10 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.630 -0.295 25489 5575 1 10 . 1 1 99 99 ASP H H 99 8.695 8.695 7.635 1.060 25489 5576 1 10 . 1 1 100 100 LEU N N 100 116.851 116.851 118.151 -1.300 25489 5577 1 10 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.600 0.333 25489 5578 1 10 . 1 1 100 100 LEU H H 100 6.902 6.902 7.269 -0.367 25489 5579 1 10 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.056 0.111 25489 5580 1 10 . 1 1 103 103 ILE N N 103 115.469 115.469 115.127 0.342 25489 5581 1 10 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.838 0.335 25489 5582 1 10 . 1 1 103 103 ILE H H 103 8.296 8.296 8.079 0.217 25489 5583 1 10 . 1 1 104 104 THR N N 104 119.413 119.413 113.791 5.622 25489 5584 1 10 . 1 1 104 104 THR HA H 104 4.019 4.019 4.013 0.006 25489 5585 1 10 . 1 1 104 104 THR H H 104 6.915 6.915 7.542 -0.627 25489 5586 1 10 . 1 1 105 105 VAL N N 105 123.232 123.232 122.204 1.028 25489 5587 1 10 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.665 -0.251 25489 5588 1 10 . 1 1 105 105 VAL H H 105 7.379 7.379 7.180 0.199 25489 5589 1 10 . 1 1 106 106 ASP N N 106 120.160 120.160 119.433 0.727 25489 5590 1 10 . 1 1 106 106 ASP H H 106 8.615 8.615 8.702 -0.087 25489 5591 1 10 . 1 1 107 107 ARG N N 107 121.041 121.041 118.988 2.053 25489 5592 1 10 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.123 -0.033 25489 5593 1 10 . 1 1 107 107 ARG H H 107 8.372 8.372 7.587 0.785 25489 5594 1 10 . 1 1 108 108 LEU N N 108 121.644 121.644 120.709 0.935 25489 5595 1 10 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.008 0.245 25489 5596 1 10 . 1 1 108 108 LEU H H 108 8.768 8.768 7.624 1.144 25489 5597 1 10 . 1 1 109 109 VAL N N 109 120.347 120.347 119.849 0.498 25489 5598 1 10 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.230 0.141 25489 5599 1 10 . 1 1 109 109 VAL H H 109 8.762 8.762 8.443 0.319 25489 5600 1 10 . 1 1 110 110 SER N N 110 112.949 112.949 114.183 -1.234 25489 5601 1 10 . 1 1 110 110 SER HA H 110 4.270 4.270 3.809 0.461 25489 5602 1 10 . 1 1 110 110 SER H H 110 7.605 7.605 8.345 -0.740 25489 5603 1 10 . 1 1 111 111 LYS N N 111 122.434 122.434 120.892 1.542 25489 5604 1 10 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.033 0.009 25489 5605 1 10 . 1 1 111 111 LYS H H 111 8.146 8.146 7.558 0.588 25489 5606 1 10 . 1 1 112 112 ALA N N 112 124.099 124.099 122.059 2.040 25489 5607 1 10 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.639 0.438 25489 5608 1 10 . 1 1 112 112 ALA H H 112 8.270 8.270 7.572 0.698 25489 5609 1 10 . 1 1 113 113 LEU N N 113 116.251 116.251 118.609 -2.358 25489 5610 1 10 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.515 0.207 25489 5611 1 10 . 1 1 113 113 LEU H H 113 8.019 8.019 7.741 0.278 25489 5612 1 10 . 1 1 114 114 ASN N N 114 116.659 116.659 115.819 0.840 25489 5613 1 10 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.540 -0.011 25489 5614 1 10 . 1 1 114 114 ASN H H 114 8.197 8.197 7.825 0.372 25489 5615 1 10 . 1 1 115 115 MET N N 115 122.118 122.118 118.577 3.541 25489 5616 1 10 . 1 1 115 115 MET HA H 115 4.013 4.013 4.273 -0.260 25489 5617 1 10 . 1 1 115 115 MET H H 115 7.918 7.918 7.364 0.554 25489 5618 1 10 . 1 1 116 116 TRP N N 116 117.117 117.117 117.666 -0.549 25489 5619 1 10 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.440 0.070 25489 5620 1 10 . 1 1 116 116 TRP H H 116 6.773 6.773 8.229 -1.456 25489 5621 1 10 . 1 1 117 117 GLY N N 117 104.656 104.656 104.270 0.386 25489 5622 1 10 . 1 1 117 117 GLY H H 117 9.305 9.305 7.975 1.330 25489 5623 1 10 . 1 1 118 118 LYS N N 118 118.567 118.567 119.557 -0.990 25489 5624 1 10 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.320 -0.143 25489 5625 1 10 . 1 1 118 118 LYS H H 118 7.947 7.947 7.271 0.676 25489 5626 1 10 . 1 1 119 119 GLU N N 119 113.899 113.899 116.673 -2.774 25489 5627 1 10 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.470 0.338 25489 5628 1 10 . 1 1 119 119 GLU H H 119 7.773 7.773 8.105 -0.332 25489 5629 1 10 . 1 1 120 120 ILE N N 120 111.215 111.215 119.826 -8.611 25489 5630 1 10 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.665 0.656 25489 5631 1 10 . 1 1 120 120 ILE H H 120 7.528 7.528 7.517 0.011 25489 5632 1 10 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.581 0.040 25489 5633 1 10 . 1 1 122 122 LEU N N 122 121.481 121.481 119.052 2.429 25489 5634 1 10 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.585 -0.293 25489 5635 1 10 . 1 1 122 122 LEU H H 122 6.815 6.815 7.816 -1.001 25489 5636 1 10 . 1 1 123 123 HIS N N 123 120.769 120.769 117.661 3.108 25489 5637 1 10 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.849 -0.257 25489 5638 1 10 . 1 1 123 123 HIS H H 123 7.709 7.709 8.272 -0.563 25489 5639 1 10 . 1 1 124 124 PHE N N 124 120.530 120.530 119.113 1.417 25489 5640 1 10 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.228 0.584 25489 5641 1 10 . 1 1 124 124 PHE H H 124 8.306 8.306 7.459 0.847 25489 5642 1 10 . 1 1 125 125 ARG N N 125 123.891 123.891 123.923 -0.032 25489 5643 1 10 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.635 0.018 25489 5644 1 10 . 1 1 125 125 ARG H H 125 8.408 8.408 8.806 -0.398 25489 5645 1 10 . 1 1 126 126 LYS N N 126 130.178 130.178 127.943 2.235 25489 5646 1 10 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.959 -0.598 25489 5647 1 10 . 1 1 126 126 LYS H H 126 8.468 8.468 8.709 -0.241 25489 5648 1 10 . 1 1 127 127 VAL N N 127 125.180 125.180 128.543 -3.363 25489 5649 1 10 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.143 0.365 25489 5650 1 10 . 1 1 127 127 VAL H H 127 8.679 8.679 8.586 0.093 25489 5651 1 10 . 1 1 128 128 VAL N N 128 117.584 117.584 121.502 -3.918 25489 5652 1 10 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.280 0.006 25489 5653 1 10 . 1 1 128 128 VAL H H 128 8.469 8.469 8.493 -0.024 25489 5654 1 10 . 1 1 129 129 TRP N N 129 119.805 119.805 119.421 0.384 25489 5655 1 10 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.737 -0.051 25489 5656 1 10 . 1 1 129 129 TRP H H 129 7.447 7.447 7.763 -0.316 25489 5657 1 10 . 1 1 130 130 GLY N N 130 109.844 109.844 111.966 -2.122 25489 5658 1 10 . 1 1 130 130 GLY H H 130 8.072 8.072 7.532 0.540 25489 5659 1 10 . 1 1 131 131 THR N N 131 116.125 116.125 111.962 4.163 25489 5660 1 10 . 1 1 131 131 THR HA H 131 4.123 4.123 4.265 -0.142 25489 5661 1 10 . 1 1 131 131 THR H H 131 8.196 8.196 7.993 0.203 25489 5662 1 10 . 1 1 132 132 ALA N N 132 129.613 129.613 130.985 -1.372 25489 5663 1 10 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.480 0.031 25489 5664 1 10 . 1 1 132 132 ALA H H 132 7.919 7.919 8.486 -0.567 25489 5665 1 10 . 1 1 133 133 ASP N N 133 123.004 123.004 123.193 -0.189 25489 5666 1 10 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.573 -0.131 25489 5667 1 10 . 1 1 133 133 ASP H H 133 8.248 8.248 8.374 -0.126 25489 5668 1 10 . 1 1 134 134 ILE N N 134 125.478 125.478 122.201 3.277 25489 5669 1 10 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.181 -0.088 25489 5670 1 10 . 1 1 134 134 ILE H H 134 8.804 8.804 8.333 0.471 25489 5671 1 10 . 1 1 135 135 MET N N 135 127.471 127.471 127.524 -0.053 25489 5672 1 10 . 1 1 135 135 MET HA H 135 5.194 5.194 5.129 0.065 25489 5673 1 10 . 1 1 135 135 MET H H 135 7.437 7.437 8.209 -0.772 25489 5674 1 10 . 1 1 136 136 ILE N N 136 125.040 125.040 125.640 -0.600 25489 5675 1 10 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.391 1.186 25489 5676 1 10 . 1 1 136 136 ILE H H 136 9.085 9.085 7.969 1.116 25489 5677 1 10 . 1 1 137 137 GLY N N 137 112.059 112.059 113.680 -1.621 25489 5678 1 10 . 1 1 137 137 GLY H H 137 8.568 8.568 8.522 0.046 25489 5679 1 10 . 1 1 138 138 PHE N N 138 119.447 119.447 118.671 0.776 25489 5680 1 10 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.589 -0.135 25489 5681 1 10 . 1 1 138 138 PHE H H 138 7.861 7.861 8.445 -0.584 25489 5682 1 10 . 1 1 139 139 ALA N N 139 123.657 123.657 122.558 1.099 25489 5683 1 10 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.643 0.092 25489 5684 1 10 . 1 1 139 139 ALA H H 139 8.939 8.939 8.930 0.009 25489 5685 1 10 . 1 1 140 140 ARG N N 140 118.688 118.688 120.144 -1.456 25489 5686 1 10 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.660 0.414 25489 5687 1 10 . 1 1 140 140 ARG H H 140 8.563 8.563 8.410 0.153 25489 5688 1 10 . 1 1 141 141 GLY N N 141 108.964 108.964 107.378 1.586 25489 5689 1 10 . 1 1 141 141 GLY H H 141 9.018 9.018 8.397 0.621 25489 5690 1 10 . 1 1 143 143 HIS N N 143 120.218 120.218 112.973 7.245 25489 5691 1 10 . 1 1 143 143 HIS H H 143 8.998 8.998 7.573 1.425 25489 5692 1 10 . 1 1 145 145 ASP N N 145 117.684 117.684 119.517 -1.833 25489 5693 1 10 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.628 0.072 25489 5694 1 10 . 1 1 145 145 ASP H H 145 7.088 7.088 8.842 -1.754 25489 5695 1 10 . 1 1 146 146 SER HA H 146 4.140 4.140 4.356 -0.216 25489 5696 1 10 . 1 1 146 146 SER H H 146 8.220 8.220 7.519 0.701 25489 5697 1 10 . 1 1 147 147 TYR N N 147 120.867 120.867 123.493 -2.626 25489 5698 1 10 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.480 0.308 25489 5699 1 10 . 1 1 147 147 TYR H H 147 7.459 7.459 8.633 -1.174 25489 5700 1 10 . 1 1 149 149 PHE N N 149 120.630 120.630 120.560 0.070 25489 5701 1 10 . 1 1 149 149 PHE H H 149 8.018 8.018 8.585 -0.567 25489 5702 1 10 . 1 1 150 150 ASP N N 150 115.626 115.626 116.920 -1.294 25489 5703 1 10 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.385 0.458 25489 5704 1 10 . 1 1 150 150 ASP H H 150 7.543 7.543 7.807 -0.264 25489 5705 1 10 . 1 1 151 151 GLY N N 151 110.700 110.700 109.325 1.375 25489 5706 1 10 . 1 1 151 151 GLY H H 151 9.074 9.074 8.067 1.007 25489 5707 1 10 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.380 -0.354 25489 5708 1 10 . 1 1 153 153 GLY N N 153 118.786 118.786 115.663 3.123 25489 5709 1 10 . 1 1 153 153 GLY H H 153 11.385 11.385 8.141 3.244 25489 5710 1 10 . 1 1 154 154 ASN N N 154 120.613 120.613 125.258 -4.645 25489 5711 1 10 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.285 -0.087 25489 5712 1 10 . 1 1 154 154 ASN H H 154 9.225 9.225 8.560 0.665 25489 5713 1 10 . 1 1 155 155 THR N N 155 118.700 118.700 115.967 2.733 25489 5714 1 10 . 1 1 155 155 THR HA H 155 5.542 5.542 4.125 1.417 25489 5715 1 10 . 1 1 155 155 THR H H 155 9.519 9.519 8.550 0.969 25489 5716 1 10 . 1 1 156 156 LEU N N 156 122.765 122.765 125.247 -2.482 25489 5717 1 10 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.528 0.414 25489 5718 1 10 . 1 1 156 156 LEU H H 156 8.500 8.500 8.827 -0.327 25489 5719 1 10 . 1 1 157 157 ALA N N 157 115.545 115.545 116.462 -0.917 25489 5720 1 10 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.680 0.327 25489 5721 1 10 . 1 1 157 157 ALA H H 157 7.545 7.545 7.496 0.049 25489 5722 1 10 . 1 1 158 158 HIS N N 158 111.868 111.868 116.096 -4.228 25489 5723 1 10 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.998 -0.381 25489 5724 1 10 . 1 1 158 158 HIS H H 158 8.774 8.774 8.750 0.024 25489 5725 1 10 . 1 1 159 159 ALA N N 159 118.565 118.565 122.272 -3.707 25489 5726 1 10 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.459 0.198 25489 5727 1 10 . 1 1 159 159 ALA H H 159 6.114 6.114 8.246 -2.132 25489 5728 1 10 . 1 1 160 160 PHE N N 160 118.042 118.042 120.460 -2.418 25489 5729 1 10 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.627 -0.146 25489 5730 1 10 . 1 1 160 160 PHE H H 160 7.897 7.897 8.162 -0.265 25489 5731 1 10 . 1 1 161 161 ALA N N 161 123.548 123.548 123.403 0.145 25489 5732 1 10 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.242 0.241 25489 5733 1 10 . 1 1 161 161 ALA H H 161 8.089 8.089 8.253 -0.164 25489 5734 1 10 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.427 -1.556 25489 5735 1 10 . 1 1 163 163 GLY N N 163 107.255 107.255 111.021 -3.766 25489 5736 1 10 . 1 1 163 163 GLY H H 163 5.992 5.992 7.696 -1.704 25489 5737 1 10 . 1 1 165 165 GLY H H 165 9.149 9.149 8.067 1.082 25489 5738 1 10 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.316 -0.163 25489 5739 1 10 . 1 1 167 167 GLY N N 167 103.338 103.338 105.652 -2.314 25489 5740 1 10 . 1 1 167 167 GLY H H 167 7.774 7.774 7.298 0.476 25489 5741 1 10 . 1 1 168 168 GLY N N 168 121.031 121.031 108.126 12.905 25489 5742 1 10 . 1 1 168 168 GLY H H 168 7.685 7.685 8.021 -0.336 25489 5743 1 10 . 1 1 169 169 ASP N N 169 123.703 123.703 121.051 2.652 25489 5744 1 10 . 1 1 169 169 ASP H H 169 8.578 8.578 7.580 0.998 25489 5745 1 10 . 1 1 170 170 ALA N N 170 119.569 119.569 121.682 -2.113 25489 5746 1 10 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.452 0.252 25489 5747 1 10 . 1 1 170 170 ALA H H 170 8.371 8.371 8.387 -0.016 25489 5748 1 10 . 1 1 171 171 HIS N N 171 120.286 120.286 121.135 -0.849 25489 5749 1 10 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.674 1.056 25489 5750 1 10 . 1 1 171 171 HIS H H 171 8.513 8.513 8.255 0.258 25489 5751 1 10 . 1 1 172 172 PHE N N 172 120.919 120.919 124.263 -3.344 25489 5752 1 10 . 1 1 172 172 PHE H H 172 8.457 8.457 8.502 -0.045 25489 5753 1 10 . 1 1 173 173 ASP N N 173 123.993 123.993 121.723 2.270 25489 5754 1 10 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.982 -1.086 25489 5755 1 10 . 1 1 173 173 ASP H H 173 7.915 7.915 8.939 -1.024 25489 5756 1 10 . 1 1 174 174 GLU N N 174 132.684 132.684 127.729 4.955 25489 5757 1 10 . 1 1 174 174 GLU H H 174 9.461 9.461 8.308 1.153 25489 5758 1 10 . 1 1 175 175 ASP N N 175 117.313 117.313 118.219 -0.906 25489 5759 1 10 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.568 0.229 25489 5760 1 10 . 1 1 175 175 ASP H H 175 8.756 8.756 8.390 0.366 25489 5761 1 10 . 1 1 176 176 GLU N N 176 116.511 116.511 119.328 -2.817 25489 5762 1 10 . 1 1 176 176 GLU H H 176 7.154 7.154 7.920 -0.766 25489 5763 1 10 . 1 1 177 177 ARG N N 177 121.920 121.920 122.211 -0.291 25489 5764 1 10 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.394 0.231 25489 5765 1 10 . 1 1 177 177 ARG H H 177 7.555 7.555 8.291 -0.736 25489 5766 1 10 . 1 1 178 178 TRP N N 178 129.182 129.182 127.176 2.006 25489 5767 1 10 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.461 -0.348 25489 5768 1 10 . 1 1 178 178 TRP H H 178 8.788 8.788 8.296 0.491 25489 5769 1 10 . 1 1 179 179 THR N N 179 112.874 112.874 114.977 -2.103 25489 5770 1 10 . 1 1 179 179 THR HA H 179 5.015 5.015 4.713 0.302 25489 5771 1 10 . 1 1 179 179 THR H H 179 8.946 8.946 8.406 0.540 25489 5772 1 10 . 1 1 180 180 ASP N N 180 121.969 121.969 123.743 -1.774 25489 5773 1 10 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.840 -0.418 25489 5774 1 10 . 1 1 180 180 ASP H H 180 8.478 8.478 8.800 -0.322 25489 5775 1 10 . 1 1 181 181 GLY N N 181 110.059 110.059 107.955 2.104 25489 5776 1 10 . 1 1 181 181 GLY H H 181 8.572 8.572 8.291 0.281 25489 5777 1 10 . 1 1 182 182 SER N N 182 115.564 115.564 116.312 -0.748 25489 5778 1 10 . 1 1 182 182 SER HA H 182 4.599 4.599 4.517 0.082 25489 5779 1 10 . 1 1 182 182 SER H H 182 8.173 8.173 7.753 0.420 25489 5780 1 10 . 1 1 183 183 SER N N 183 117.066 117.066 115.940 1.126 25489 5781 1 10 . 1 1 183 183 SER H H 183 7.819 7.819 8.180 -0.361 25489 5782 1 10 . 1 1 184 184 LEU N N 184 121.954 121.954 120.107 1.847 25489 5783 1 10 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.433 -0.071 25489 5784 1 10 . 1 1 184 184 LEU H H 184 8.104 8.104 7.627 0.477 25489 5785 1 10 . 1 1 185 185 GLY N N 185 108.989 108.989 106.524 2.465 25489 5786 1 10 . 1 1 185 185 GLY H H 185 7.954 7.954 7.489 0.465 25489 5787 1 10 . 1 1 186 186 ILE N N 186 123.084 123.084 121.402 1.682 25489 5788 1 10 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.170 -0.391 25489 5789 1 10 . 1 1 186 186 ILE H H 186 8.878 8.878 8.137 0.741 25489 5790 1 10 . 1 1 187 187 ASN N N 187 126.999 126.999 124.355 2.644 25489 5791 1 10 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.772 -0.376 25489 5792 1 10 . 1 1 187 187 ASN H H 187 8.575 8.575 8.087 0.488 25489 5793 1 10 . 1 1 188 188 PHE N N 188 129.819 129.819 128.919 0.900 25489 5794 1 10 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.321 0.270 25489 5795 1 10 . 1 1 188 188 PHE H H 188 9.365 9.365 9.318 0.047 25489 5796 1 10 . 1 1 189 189 LEU N N 189 119.292 119.292 119.228 0.064 25489 5797 1 10 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.442 0.391 25489 5798 1 10 . 1 1 189 189 LEU H H 189 8.551 8.551 8.346 0.205 25489 5799 1 10 . 1 1 191 191 ALA N N 191 120.347 120.347 118.633 1.714 25489 5800 1 10 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.712 -0.415 25489 5801 1 10 . 1 1 191 191 ALA H H 191 7.973 7.973 7.851 0.122 25489 5802 1 10 . 1 1 192 192 ALA N N 192 121.365 121.365 122.748 -1.383 25489 5803 1 10 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.834 0.183 25489 5804 1 10 . 1 1 192 192 ALA H H 192 9.258 9.258 7.834 1.424 25489 5805 1 10 . 1 1 193 193 THR N N 193 117.027 117.027 111.684 5.343 25489 5806 1 10 . 1 1 193 193 THR HA H 193 3.825 3.825 3.571 0.254 25489 5807 1 10 . 1 1 193 193 THR H H 193 8.209 8.209 7.328 0.881 25489 5808 1 10 . 1 1 194 194 HIS N N 194 120.231 120.231 122.524 -2.293 25489 5809 1 10 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.188 0.045 25489 5810 1 10 . 1 1 194 194 HIS H H 194 7.805 7.805 8.101 -0.296 25489 5811 1 10 . 1 1 195 195 ALA N N 195 121.346 121.346 122.515 -1.169 25489 5812 1 10 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.050 0.130 25489 5813 1 10 . 1 1 195 195 ALA H H 195 8.693 8.693 8.190 0.503 25489 5814 1 10 . 1 1 196 196 LEU N N 196 114.951 114.951 114.748 0.203 25489 5815 1 10 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.516 -0.358 25489 5816 1 10 . 1 1 196 196 LEU H H 196 8.714 8.714 7.645 1.069 25489 5817 1 10 . 1 1 197 197 GLY N N 197 107.954 107.954 108.136 -0.182 25489 5818 1 10 . 1 1 197 197 GLY H H 197 7.540 7.540 7.890 -0.350 25489 5819 1 10 . 1 1 198 198 HIS N N 198 121.996 121.996 119.363 2.633 25489 5820 1 10 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.614 0.195 25489 5821 1 10 . 1 1 198 198 HIS H H 198 7.205 7.205 7.633 -0.428 25489 5822 1 10 . 1 1 199 199 SER N N 199 118.570 118.570 113.165 5.405 25489 5823 1 10 . 1 1 199 199 SER HA H 199 4.448 4.448 4.381 0.067 25489 5824 1 10 . 1 1 199 199 SER H H 199 7.886 7.886 8.253 -0.367 25489 5825 1 10 . 1 1 200 200 LEU N N 200 114.779 114.779 119.957 -5.178 25489 5826 1 10 . 1 1 200 200 LEU H H 200 7.106 7.106 7.313 -0.207 25489 5827 1 10 . 1 1 201 201 GLY N N 201 108.350 108.350 104.849 3.501 25489 5828 1 10 . 1 1 201 201 GLY H H 201 8.213 8.213 7.537 0.676 25489 5829 1 10 . 1 1 202 202 MET N N 202 119.623 119.623 120.214 -0.591 25489 5830 1 10 . 1 1 202 202 MET HA H 202 4.484 4.484 4.338 0.146 25489 5831 1 10 . 1 1 202 202 MET H H 202 8.189 8.189 7.980 0.209 25489 5832 1 10 . 1 1 203 203 GLY N N 203 109.770 109.770 106.785 2.985 25489 5833 1 10 . 1 1 203 203 GLY H H 203 8.413 8.413 8.306 0.107 25489 5834 1 10 . 1 1 204 204 HIS N N 204 115.793 115.793 116.328 -0.535 25489 5835 1 10 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.831 0.543 25489 5836 1 10 . 1 1 204 204 HIS H H 204 8.383 8.383 7.882 0.501 25489 5837 1 10 . 1 1 205 205 SER N N 205 115.497 115.497 113.224 2.273 25489 5838 1 10 . 1 1 205 205 SER HA H 205 4.721 4.721 4.831 -0.110 25489 5839 1 10 . 1 1 205 205 SER H H 205 7.223 7.223 8.103 -0.880 25489 5840 1 10 . 1 1 206 206 SER N N 206 119.268 119.268 122.092 -2.824 25489 5841 1 10 . 1 1 206 206 SER HA H 206 3.721 3.721 4.677 -0.956 25489 5842 1 10 . 1 1 206 206 SER H H 206 8.290 8.290 8.784 -0.494 25489 5843 1 10 . 1 1 207 207 ASP N N 207 126.656 126.656 122.632 4.024 25489 5844 1 10 . 1 1 207 207 ASP H H 207 8.541 8.541 7.618 0.923 25489 5845 1 10 . 1 1 209 209 ASN N N 209 115.911 115.911 116.338 -0.427 25489 5846 1 10 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.766 -0.150 25489 5847 1 10 . 1 1 209 209 ASN H H 209 8.374 8.374 8.419 -0.045 25489 5848 1 10 . 1 1 210 210 ALA N N 210 124.929 124.929 122.372 2.557 25489 5849 1 10 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.699 -0.545 25489 5850 1 10 . 1 1 210 210 ALA H H 210 8.182 8.182 7.178 1.004 25489 5851 1 10 . 1 1 211 211 VAL N N 211 130.383 130.383 122.886 7.497 25489 5852 1 10 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.931 0.319 25489 5853 1 10 . 1 1 211 211 VAL H H 211 11.554 11.554 9.182 2.372 25489 5854 1 10 . 1 1 212 212 MET N N 212 113.319 113.319 116.872 -3.553 25489 5855 1 10 . 1 1 212 212 MET H H 212 7.741 7.741 8.709 -0.968 25489 5856 1 10 . 1 1 213 213 TYR N N 213 130.006 130.006 122.080 7.926 25489 5857 1 10 . 1 1 213 213 TYR H H 213 7.899 7.899 7.242 0.657 25489 5858 1 10 . 1 1 215 215 THR N N 215 104.747 104.747 107.433 -2.686 25489 5859 1 10 . 1 1 215 215 THR HA H 215 4.404 4.404 4.408 -0.004 25489 5860 1 10 . 1 1 215 215 THR H H 215 6.402 6.402 7.205 -0.803 25489 5861 1 10 . 1 1 216 216 TYR N N 216 124.699 124.699 124.644 0.055 25489 5862 1 10 . 1 1 216 216 TYR H H 216 8.341 8.341 8.551 -0.210 25489 5863 1 10 . 1 1 217 217 GLY N N 217 116.288 116.288 108.298 7.990 25489 5864 1 10 . 1 1 217 217 GLY H H 217 7.685 7.685 7.509 0.176 25489 5865 1 10 . 1 1 218 218 ASN N N 218 119.920 119.920 115.999 3.921 25489 5866 1 10 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.458 0.162 25489 5867 1 10 . 1 1 218 218 ASN H H 218 8.221 8.221 8.544 -0.323 25489 5868 1 10 . 1 1 219 219 GLY N N 219 109.601 109.601 107.341 2.260 25489 5869 1 10 . 1 1 219 219 GLY H H 219 8.072 8.072 7.426 0.646 25489 5870 1 10 . 1 1 220 220 ASP N N 220 123.006 123.006 122.527 0.479 25489 5871 1 10 . 1 1 220 220 ASP H H 220 8.280 8.280 8.246 0.034 25489 5872 1 10 . 1 1 222 222 GLN N N 222 116.642 116.642 122.788 -6.146 25489 5873 1 10 . 1 1 222 222 GLN H H 222 8.215 8.215 8.862 -0.647 25489 5874 1 10 . 1 1 223 223 ASN N N 223 118.361 118.361 114.483 3.878 25489 5875 1 10 . 1 1 223 223 ASN H H 223 7.970 7.970 8.023 -0.053 25489 5876 1 10 . 1 1 225 225 LYS N N 225 122.215 122.215 125.581 -3.366 25489 5877 1 10 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.668 -0.252 25489 5878 1 10 . 1 1 225 225 LYS H H 225 7.656 7.656 7.914 -0.258 25489 5879 1 10 . 1 1 226 226 LEU N N 226 119.165 119.165 121.811 -2.646 25489 5880 1 10 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.595 -0.507 25489 5881 1 10 . 1 1 226 226 LEU H H 226 7.984 7.984 8.368 -0.384 25489 5882 1 10 . 1 1 227 227 SER N N 227 120.520 120.520 117.254 3.266 25489 5883 1 10 . 1 1 227 227 SER HA H 227 4.676 4.676 4.661 0.015 25489 5884 1 10 . 1 1 227 227 SER H H 227 9.646 9.646 9.497 0.149 25489 5885 1 10 . 1 1 228 228 GLN HA H 228 4.674 4.674 3.980 0.694 25489 5886 1 10 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.408 -0.034 25489 5887 1 10 . 1 1 229 229 ASP H H 229 8.113 8.113 8.225 -0.112 25489 5888 1 10 . 1 1 230 230 ASP N N 230 119.878 119.878 120.299 -0.421 25489 5889 1 10 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.385 -0.047 25489 5890 1 10 . 1 1 230 230 ASP H H 230 7.397 7.397 7.789 -0.392 25489 5891 1 10 . 1 1 231 231 ILE N N 231 120.389 120.389 119.986 0.403 25489 5892 1 10 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.696 -0.041 25489 5893 1 10 . 1 1 231 231 ILE H H 231 8.100 8.100 7.836 0.264 25489 5894 1 10 . 1 1 232 232 LYS N N 232 119.084 119.084 120.285 -1.201 25489 5895 1 10 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.090 0.005 25489 5896 1 10 . 1 1 232 232 LYS H H 232 8.581 8.581 7.724 0.857 25489 5897 1 10 . 1 1 233 233 GLY N N 233 106.424 106.424 106.940 -0.516 25489 5898 1 10 . 1 1 233 233 GLY H H 233 8.061 8.061 7.877 0.184 25489 5899 1 10 . 1 1 234 234 ILE N N 234 125.166 125.166 123.066 2.100 25489 5900 1 10 . 1 1 234 234 ILE H H 234 8.517 8.517 7.722 0.795 25489 5901 1 10 . 1 1 235 235 GLN N N 235 122.969 122.969 118.946 4.023 25489 5902 1 10 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.254 0.127 25489 5903 1 10 . 1 1 235 235 GLN H H 235 8.291 8.291 8.443 -0.152 25489 5904 1 10 . 1 1 236 236 LYS N N 236 123.770 123.770 120.398 3.372 25489 5905 1 10 . 1 1 236 236 LYS H H 236 8.035 8.035 7.641 0.394 25489 5906 1 10 . 1 1 237 237 LEU N N 237 116.854 116.854 119.985 -3.131 25489 5907 1 10 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.153 -0.194 25489 5908 1 10 . 1 1 237 237 LEU H H 237 6.886 6.886 7.361 -0.475 25489 5909 1 10 . 1 1 238 238 TYR N N 238 112.132 112.132 116.001 -3.869 25489 5910 1 10 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.614 0.012 25489 5911 1 10 . 1 1 238 238 TYR H H 238 7.459 7.459 7.553 -0.094 25489 5912 1 10 . 1 1 239 239 GLY N N 239 110.898 110.898 108.422 2.476 25489 5913 1 10 . 1 1 239 239 GLY H H 239 8.442 8.442 7.277 1.165 25489 5914 1 10 . 1 1 240 240 LYS N N 240 114.400 114.400 120.437 -6.037 25489 5915 1 10 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.493 0.311 25489 5916 1 10 . 1 1 240 240 LYS H H 240 7.865 7.865 8.412 -0.547 25489 5917 1 10 . 1 1 241 241 ARG N N 241 123.851 123.851 124.276 -0.425 25489 5918 1 10 . 1 1 241 241 ARG H H 241 7.760 7.760 8.660 -0.900 25489 5919 1 10 . 1 1 242 242 SER N N 242 135.647 135.647 118.473 17.174 25489 5920 1 10 . 1 1 242 242 SER H H 242 9.158 9.158 8.406 0.752 25489 5921 1 11 . 1 1 3 3 GLU N N 3 121.690 121.690 121.893 -0.203 25489 5922 1 11 . 1 1 3 3 GLU H H 3 8.332 8.332 8.931 -0.599 25489 5923 1 11 . 1 1 4 4 ALA N N 4 124.526 124.526 119.694 4.832 25489 5924 1 11 . 1 1 4 4 ALA H H 4 8.111 8.111 8.171 -0.060 25489 5925 1 11 . 1 1 5 5 GLY N N 5 108.229 108.229 104.787 3.442 25489 5926 1 11 . 1 1 5 5 GLY H H 5 8.286 8.286 7.801 0.485 25489 5927 1 11 . 1 1 6 6 GLY N N 6 108.867 108.867 108.338 0.529 25489 5928 1 11 . 1 1 6 6 GLY H H 6 8.239 8.239 7.565 0.674 25489 5929 1 11 . 1 1 7 7 MET N N 7 119.984 119.984 121.779 -1.795 25489 5930 1 11 . 1 1 7 7 MET H H 7 8.044 8.044 7.559 0.485 25489 5931 1 11 . 1 1 8 8 SER N N 8 118.771 118.771 122.867 -4.096 25489 5932 1 11 . 1 1 8 8 SER HA H 8 4.239 4.239 4.664 -0.425 25489 5933 1 11 . 1 1 8 8 SER H H 8 8.738 8.738 8.595 0.143 25489 5934 1 11 . 1 1 9 9 GLU N N 9 122.551 122.551 122.679 -0.128 25489 5935 1 11 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.073 0.179 25489 5936 1 11 . 1 1 9 9 GLU H H 9 8.919 8.919 9.079 -0.160 25489 5937 1 11 . 1 1 10 10 LEU N N 10 120.638 120.638 119.343 1.295 25489 5938 1 11 . 1 1 10 10 LEU H H 10 8.017 8.017 7.869 0.148 25489 5939 1 11 . 1 1 11 11 GLN N N 11 119.889 119.889 119.213 0.676 25489 5940 1 11 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.938 0.196 25489 5941 1 11 . 1 1 11 11 GLN H H 11 7.807 7.807 7.911 -0.104 25489 5942 1 11 . 1 1 12 12 TRP N N 12 120.951 120.951 121.305 -0.354 25489 5943 1 11 . 1 1 12 12 TRP H H 12 8.202 8.202 7.971 0.231 25489 5944 1 11 . 1 1 13 13 GLU N N 13 121.870 121.870 118.751 3.119 25489 5945 1 11 . 1 1 13 13 GLU H H 13 8.436 8.436 8.564 -0.128 25489 5946 1 11 . 1 1 14 14 GLN N N 14 120.646 120.646 119.283 1.363 25489 5947 1 11 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.994 0.175 25489 5948 1 11 . 1 1 14 14 GLN H H 14 8.159 8.159 7.470 0.689 25489 5949 1 11 . 1 1 15 15 ALA N N 15 123.216 123.216 122.449 0.767 25489 5950 1 11 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.844 0.494 25489 5951 1 11 . 1 1 15 15 ALA H H 15 8.355 8.355 8.314 0.041 25489 5952 1 11 . 1 1 16 16 GLN N N 16 117.766 117.766 117.210 0.556 25489 5953 1 11 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.771 -0.066 25489 5954 1 11 . 1 1 16 16 GLN H H 16 8.440 8.440 8.159 0.281 25489 5955 1 11 . 1 1 17 17 ASP N N 17 120.090 120.090 118.782 1.308 25489 5956 1 11 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.404 0.059 25489 5957 1 11 . 1 1 17 17 ASP H H 17 7.899 7.899 7.388 0.511 25489 5958 1 11 . 1 1 18 18 TYR N N 18 122.296 122.296 119.421 2.875 25489 5959 1 11 . 1 1 18 18 TYR H H 18 8.264 8.264 7.240 1.024 25489 5960 1 11 . 1 1 19 19 LEU N N 19 117.675 117.675 119.555 -1.880 25489 5961 1 11 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.166 -0.041 25489 5962 1 11 . 1 1 19 19 LEU H H 19 8.687 8.687 7.835 0.852 25489 5963 1 11 . 1 1 20 20 LYS N N 20 124.620 124.620 117.692 6.928 25489 5964 1 11 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.315 -0.172 25489 5965 1 11 . 1 1 20 20 LYS H H 20 8.790 8.790 7.807 0.983 25489 5966 1 11 . 1 1 21 21 ARG N N 21 117.608 117.608 118.546 -0.938 25489 5967 1 11 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.242 -0.545 25489 5968 1 11 . 1 1 21 21 ARG H H 21 7.835 7.835 7.341 0.494 25489 5969 1 11 . 1 1 22 22 PHE N N 22 112.136 112.136 118.132 -5.996 25489 5970 1 11 . 1 1 22 22 PHE H H 22 8.003 8.003 8.169 -0.166 25489 5971 1 11 . 1 1 23 23 TYR N N 23 116.244 116.244 115.415 0.829 25489 5972 1 11 . 1 1 23 23 TYR H H 23 7.678 7.678 7.810 -0.132 25489 5973 1 11 . 1 1 24 24 LEU N N 24 115.582 115.582 115.417 0.165 25489 5974 1 11 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.805 -0.670 25489 5975 1 11 . 1 1 24 24 LEU H H 24 7.238 7.238 7.914 -0.676 25489 5976 1 11 . 1 1 25 25 TYR N N 25 119.996 119.996 122.498 -2.502 25489 5977 1 11 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.591 -0.186 25489 5978 1 11 . 1 1 25 25 TYR H H 25 7.826 7.826 8.617 -0.791 25489 5979 1 11 . 1 1 26 26 ASP N N 26 129.292 129.292 126.989 2.303 25489 5980 1 11 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.428 0.033 25489 5981 1 11 . 1 1 26 26 ASP H H 26 8.121 8.121 8.000 0.121 25489 5982 1 11 . 1 1 28 28 GLU N N 28 122.115 122.115 120.315 1.800 25489 5983 1 11 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.231 0.050 25489 5984 1 11 . 1 1 28 28 GLU H H 28 8.262 8.262 7.554 0.708 25489 5985 1 11 . 1 1 29 29 THR N N 29 114.171 114.171 113.990 0.181 25489 5986 1 11 . 1 1 29 29 THR HA H 29 4.222 4.222 4.176 0.046 25489 5987 1 11 . 1 1 29 29 THR H H 29 7.496 7.496 8.774 -1.278 25489 5988 1 11 . 1 1 30 30 LYS N N 30 123.019 123.019 123.141 -0.122 25489 5989 1 11 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.145 0.073 25489 5990 1 11 . 1 1 30 30 LYS H H 30 8.154 8.154 7.475 0.679 25489 5991 1 11 . 1 1 32 32 ALA N N 32 126.481 126.481 128.631 -2.150 25489 5992 1 11 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.235 0.015 25489 5993 1 11 . 1 1 32 32 ALA H H 32 8.424 8.424 8.872 -0.448 25489 5994 1 11 . 1 1 33 33 ASN N N 33 116.834 116.834 114.745 2.089 25489 5995 1 11 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.716 -0.018 25489 5996 1 11 . 1 1 33 33 ASN H H 33 8.312 8.312 8.713 -0.401 25489 5997 1 11 . 1 1 34 34 SER N N 34 116.960 116.960 116.681 0.279 25489 5998 1 11 . 1 1 34 34 SER HA H 34 4.522 4.522 4.388 0.134 25489 5999 1 11 . 1 1 34 34 SER H H 34 8.112 8.112 7.500 0.612 25489 6000 1 11 . 1 1 35 35 LEU N N 35 125.335 125.335 123.789 1.546 25489 6001 1 11 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.897 -0.346 25489 6002 1 11 . 1 1 35 35 LEU H H 35 8.324 8.324 8.802 -0.478 25489 6003 1 11 . 1 1 36 36 GLU N N 36 119.302 119.302 118.966 0.336 25489 6004 1 11 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.180 -0.237 25489 6005 1 11 . 1 1 36 36 GLU H H 36 8.239 8.239 8.092 0.147 25489 6006 1 11 . 1 1 37 37 ALA N N 37 120.683 120.683 121.785 -1.102 25489 6007 1 11 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.069 -0.022 25489 6008 1 11 . 1 1 37 37 ALA H H 37 7.898 7.898 7.571 0.327 25489 6009 1 11 . 1 1 38 38 LYS N N 38 119.470 119.470 118.325 1.145 25489 6010 1 11 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.038 0.295 25489 6011 1 11 . 1 1 38 38 LYS H H 38 8.217 8.217 7.523 0.694 25489 6012 1 11 . 1 1 39 39 LEU N N 39 122.664 122.664 121.334 1.330 25489 6013 1 11 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.042 -0.128 25489 6014 1 11 . 1 1 39 39 LEU H H 39 8.658 8.658 8.242 0.416 25489 6015 1 11 . 1 1 40 40 LYS N N 40 118.301 118.301 120.138 -1.837 25489 6016 1 11 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.868 0.805 25489 6017 1 11 . 1 1 40 40 LYS H H 40 8.221 8.221 8.213 0.008 25489 6018 1 11 . 1 1 41 41 GLU N N 41 121.462 121.462 118.396 3.066 25489 6019 1 11 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.073 -0.005 25489 6020 1 11 . 1 1 41 41 GLU H H 41 7.736 7.736 8.468 -0.732 25489 6021 1 11 . 1 1 42 42 MET N N 42 123.761 123.761 119.319 4.442 25489 6022 1 11 . 1 1 42 42 MET HA H 42 4.046 4.046 4.574 -0.528 25489 6023 1 11 . 1 1 42 42 MET H H 42 7.672 7.672 7.587 0.085 25489 6024 1 11 . 1 1 43 43 GLN N N 43 120.035 120.035 120.085 -0.050 25489 6025 1 11 . 1 1 43 43 GLN HA H 43 3.796 3.796 3.974 -0.178 25489 6026 1 11 . 1 1 43 43 GLN H H 43 8.904 8.904 8.832 0.072 25489 6027 1 11 . 1 1 44 44 LYS N N 44 119.131 119.131 119.214 -0.083 25489 6028 1 11 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.142 -0.090 25489 6029 1 11 . 1 1 44 44 LYS H H 44 8.511 8.511 8.439 0.072 25489 6030 1 11 . 1 1 45 45 PHE N N 45 123.544 123.544 120.078 3.466 25489 6031 1 11 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.145 -0.295 25489 6032 1 11 . 1 1 45 45 PHE H H 45 8.438 8.438 7.740 0.698 25489 6033 1 11 . 1 1 46 46 PHE N N 46 112.789 112.789 114.737 -1.948 25489 6034 1 11 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.414 0.168 25489 6035 1 11 . 1 1 46 46 PHE H H 46 8.273 8.273 8.056 0.217 25489 6036 1 11 . 1 1 47 47 GLY N N 47 110.408 110.408 106.020 4.388 25489 6037 1 11 . 1 1 47 47 GLY H H 47 7.922 7.922 7.415 0.507 25489 6038 1 11 . 1 1 48 48 LEU N N 48 121.853 121.853 122.643 -0.790 25489 6039 1 11 . 1 1 48 48 LEU H H 48 8.747 8.747 7.619 1.128 25489 6040 1 11 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.325 -0.124 25489 6041 1 11 . 1 1 50 50 ILE N N 50 127.000 127.000 119.812 7.188 25489 6042 1 11 . 1 1 50 50 ILE H H 50 8.529 8.529 7.526 1.003 25489 6043 1 11 . 1 1 51 51 THR N N 51 116.519 116.519 115.599 0.920 25489 6044 1 11 . 1 1 51 51 THR H H 51 7.980 7.980 8.084 -0.104 25489 6045 1 11 . 1 1 52 52 GLY N N 52 112.725 112.725 113.095 -0.370 25489 6046 1 11 . 1 1 52 52 GLY H H 52 9.483 9.483 9.901 -0.418 25489 6047 1 11 . 1 1 53 53 MET N N 53 116.735 116.735 121.117 -4.382 25489 6048 1 11 . 1 1 53 53 MET HA H 53 4.044 4.044 4.770 -0.726 25489 6049 1 11 . 1 1 53 53 MET H H 53 7.969 7.969 7.783 0.186 25489 6050 1 11 . 1 1 54 54 LEU N N 54 122.602 122.602 129.003 -6.401 25489 6051 1 11 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.705 -0.999 25489 6052 1 11 . 1 1 54 54 LEU H H 54 7.926 7.926 8.367 -0.441 25489 6053 1 11 . 1 1 55 55 ASN N N 55 115.755 115.755 118.043 -2.288 25489 6054 1 11 . 1 1 55 55 ASN HA H 55 4.740 4.740 5.041 -0.301 25489 6055 1 11 . 1 1 55 55 ASN H H 55 6.555 6.555 8.732 -2.177 25489 6056 1 11 . 1 1 56 56 SER N N 56 121.450 121.450 115.550 5.900 25489 6057 1 11 . 1 1 56 56 SER HA H 56 4.662 4.662 4.610 0.052 25489 6058 1 11 . 1 1 56 56 SER H H 56 8.205 8.205 8.127 0.078 25489 6059 1 11 . 1 1 57 57 ARG N N 57 123.219 123.219 122.448 0.771 25489 6060 1 11 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.993 0.213 25489 6061 1 11 . 1 1 57 57 ARG H H 57 7.883 7.883 8.723 -0.840 25489 6062 1 11 . 1 1 58 58 VAL N N 58 118.843 118.843 116.581 2.262 25489 6063 1 11 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.233 0.067 25489 6064 1 11 . 1 1 58 58 VAL H H 58 7.594 7.594 7.885 -0.291 25489 6065 1 11 . 1 1 59 59 ILE N N 59 119.212 119.212 117.792 1.420 25489 6066 1 11 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.021 -0.552 25489 6067 1 11 . 1 1 59 59 ILE H H 59 7.326 7.326 7.894 -0.568 25489 6068 1 11 . 1 1 60 60 GLU N N 60 119.544 119.544 120.438 -0.894 25489 6069 1 11 . 1 1 60 60 GLU H H 60 7.880 7.880 7.820 0.060 25489 6070 1 11 . 1 1 61 61 ILE N N 61 118.812 118.812 115.944 2.868 25489 6071 1 11 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.880 -0.438 25489 6072 1 11 . 1 1 61 61 ILE H H 61 7.217 7.217 7.602 -0.385 25489 6073 1 11 . 1 1 62 62 MET N N 62 120.202 120.202 114.940 5.262 25489 6074 1 11 . 1 1 62 62 MET HA H 62 3.419 3.419 4.355 -0.936 25489 6075 1 11 . 1 1 62 62 MET H H 62 7.820 7.820 7.264 0.556 25489 6076 1 11 . 1 1 63 63 GLN N N 63 116.274 116.274 118.987 -2.713 25489 6077 1 11 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.338 -0.097 25489 6078 1 11 . 1 1 63 63 GLN H H 63 7.442 7.442 7.421 0.021 25489 6079 1 11 . 1 1 64 64 LYS N N 64 121.450 121.450 120.516 0.934 25489 6080 1 11 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.370 0.129 25489 6081 1 11 . 1 1 64 64 LYS H H 64 7.474 7.474 7.655 -0.181 25489 6082 1 11 . 1 1 66 66 ARG N N 66 113.173 113.173 123.166 -9.993 25489 6083 1 11 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.679 -0.240 25489 6084 1 11 . 1 1 66 66 ARG H H 66 8.151 8.151 7.856 0.295 25489 6085 1 11 . 1 1 67 67 CYS N N 67 121.794 121.794 122.535 -0.741 25489 6086 1 11 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.660 -0.240 25489 6087 1 11 . 1 1 67 67 CYS H H 67 7.709 7.709 9.188 -1.479 25489 6088 1 11 . 1 1 68 68 GLY N N 68 116.255 116.255 117.747 -1.492 25489 6089 1 11 . 1 1 68 68 GLY H H 68 9.707 9.707 9.037 0.670 25489 6090 1 11 . 1 1 69 69 VAL N N 69 126.541 126.541 115.793 10.748 25489 6091 1 11 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.651 -0.844 25489 6092 1 11 . 1 1 69 69 VAL H H 69 9.118 9.118 7.278 1.840 25489 6093 1 11 . 1 1 71 71 ASP N N 71 119.114 119.114 121.379 -2.265 25489 6094 1 11 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.469 0.014 25489 6095 1 11 . 1 1 71 71 ASP H H 71 8.067 8.067 8.417 -0.350 25489 6096 1 11 . 1 1 72 72 VAL N N 72 112.988 112.988 116.329 -3.341 25489 6097 1 11 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.170 1.111 25489 6098 1 11 . 1 1 72 72 VAL H H 72 6.438 6.438 7.261 -0.823 25489 6099 1 11 . 1 1 73 73 ALA N N 73 125.902 125.902 128.925 -3.023 25489 6100 1 11 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.366 -0.099 25489 6101 1 11 . 1 1 73 73 ALA H H 73 8.171 8.171 6.457 1.714 25489 6102 1 11 . 1 1 74 74 GLU N N 74 120.835 120.835 122.162 -1.327 25489 6103 1 11 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.435 -0.352 25489 6104 1 11 . 1 1 74 74 GLU H H 74 8.385 8.385 8.168 0.217 25489 6105 1 11 . 1 1 75 75 TYR N N 75 121.820 121.820 122.675 -0.855 25489 6106 1 11 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.666 -0.272 25489 6107 1 11 . 1 1 75 75 TYR H H 75 8.102 8.102 7.505 0.597 25489 6108 1 11 . 1 1 76 76 SER N N 76 117.881 117.881 119.216 -1.335 25489 6109 1 11 . 1 1 76 76 SER H H 76 7.718 7.718 8.773 -1.055 25489 6110 1 11 . 1 1 77 77 LEU N N 77 123.835 123.835 120.491 3.344 25489 6111 1 11 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.178 -0.086 25489 6112 1 11 . 1 1 77 77 LEU H H 77 8.033 8.033 8.839 -0.806 25489 6113 1 11 . 1 1 78 78 PHE N N 78 118.893 118.893 122.680 -3.787 25489 6114 1 11 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.922 -0.077 25489 6115 1 11 . 1 1 78 78 PHE H H 78 7.822 7.822 8.025 -0.203 25489 6116 1 11 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.209 0.122 25489 6117 1 11 . 1 1 80 80 ASN N N 80 118.184 118.184 119.330 -1.146 25489 6118 1 11 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.893 -0.213 25489 6119 1 11 . 1 1 80 80 ASN H H 80 8.106 8.106 8.350 -0.244 25489 6120 1 11 . 1 1 81 81 SER HA H 81 4.636 4.636 4.971 -0.335 25489 6121 1 11 . 1 1 83 83 LYS N N 83 114.696 114.696 114.765 -0.069 25489 6122 1 11 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.626 -0.403 25489 6123 1 11 . 1 1 83 83 LYS H H 83 7.361 7.361 7.385 -0.024 25489 6124 1 11 . 1 1 84 84 TRP N N 84 122.459 122.459 121.965 0.494 25489 6125 1 11 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.597 -0.594 25489 6126 1 11 . 1 1 84 84 TRP H H 84 8.020 8.020 8.587 -0.567 25489 6127 1 11 . 1 1 85 85 THR N N 85 113.482 113.482 118.747 -5.265 25489 6128 1 11 . 1 1 85 85 THR HA H 85 4.586 4.586 4.338 0.248 25489 6129 1 11 . 1 1 85 85 THR H H 85 8.833 8.833 7.858 0.975 25489 6130 1 11 . 1 1 86 86 SER N N 86 117.316 117.316 116.189 1.127 25489 6131 1 11 . 1 1 86 86 SER HA H 86 4.665 4.665 4.294 0.371 25489 6132 1 11 . 1 1 86 86 SER H H 86 7.724 7.724 6.944 0.780 25489 6133 1 11 . 1 1 87 87 LYS N N 87 120.411 120.411 122.304 -1.893 25489 6134 1 11 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.212 -0.073 25489 6135 1 11 . 1 1 87 87 LYS H H 87 8.312 8.312 8.699 -0.387 25489 6136 1 11 . 1 1 88 88 VAL N N 88 117.674 117.674 111.828 5.846 25489 6137 1 11 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.511 0.140 25489 6138 1 11 . 1 1 88 88 VAL H H 88 7.425 7.425 7.423 0.002 25489 6139 1 11 . 1 1 89 89 VAL N N 89 131.493 131.493 124.559 6.934 25489 6140 1 11 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.565 -0.424 25489 6141 1 11 . 1 1 89 89 VAL H H 89 8.574 8.574 8.955 -0.381 25489 6142 1 11 . 1 1 90 90 THR N N 90 118.245 118.245 118.212 0.033 25489 6143 1 11 . 1 1 90 90 THR HA H 90 5.627 5.627 5.513 0.114 25489 6144 1 11 . 1 1 90 90 THR H H 90 9.021 9.021 8.523 0.498 25489 6145 1 11 . 1 1 91 91 TYR N N 91 118.267 118.267 119.736 -1.469 25489 6146 1 11 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.641 0.033 25489 6147 1 11 . 1 1 91 91 TYR H H 91 8.555 8.555 8.168 0.387 25489 6148 1 11 . 1 1 92 92 ARG N N 92 120.260 120.260 120.569 -0.309 25489 6149 1 11 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.813 -0.167 25489 6150 1 11 . 1 1 92 92 ARG H H 92 8.513 8.513 8.583 -0.070 25489 6151 1 11 . 1 1 93 93 ILE N N 93 128.361 128.361 126.887 1.474 25489 6152 1 11 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.643 -0.024 25489 6153 1 11 . 1 1 93 93 ILE H H 93 8.878 8.878 8.999 -0.121 25489 6154 1 11 . 1 1 94 94 VAL N N 94 126.374 126.374 124.101 2.273 25489 6155 1 11 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.206 -0.206 25489 6156 1 11 . 1 1 94 94 VAL H H 94 9.492 9.492 8.471 1.021 25489 6157 1 11 . 1 1 95 95 SER N N 95 113.303 113.303 115.495 -2.192 25489 6158 1 11 . 1 1 95 95 SER HA H 95 4.705 4.705 4.839 -0.134 25489 6159 1 11 . 1 1 95 95 SER H H 95 7.431 7.431 7.655 -0.224 25489 6160 1 11 . 1 1 96 96 TYR N N 96 117.054 117.054 120.144 -3.090 25489 6161 1 11 . 1 1 96 96 TYR H H 96 8.255 8.255 8.210 0.045 25489 6162 1 11 . 1 1 98 98 ARG N N 98 128.445 128.445 125.335 3.110 25489 6163 1 11 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.406 -0.068 25489 6164 1 11 . 1 1 98 98 ARG H H 98 8.964 8.964 8.821 0.143 25489 6165 1 11 . 1 1 99 99 ASP N N 99 120.412 120.412 118.776 1.636 25489 6166 1 11 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.656 -0.321 25489 6167 1 11 . 1 1 99 99 ASP H H 99 8.695 8.695 7.734 0.961 25489 6168 1 11 . 1 1 100 100 LEU N N 100 116.851 116.851 118.411 -1.560 25489 6169 1 11 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.608 0.325 25489 6170 1 11 . 1 1 100 100 LEU H H 100 6.902 6.902 7.288 -0.386 25489 6171 1 11 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.259 -0.092 25489 6172 1 11 . 1 1 103 103 ILE N N 103 115.469 115.469 114.405 1.064 25489 6173 1 11 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.908 0.265 25489 6174 1 11 . 1 1 103 103 ILE H H 103 8.296 8.296 8.049 0.247 25489 6175 1 11 . 1 1 104 104 THR N N 104 119.413 119.413 116.990 2.423 25489 6176 1 11 . 1 1 104 104 THR HA H 104 4.019 4.019 4.211 -0.192 25489 6177 1 11 . 1 1 104 104 THR H H 104 6.915 6.915 7.833 -0.918 25489 6178 1 11 . 1 1 105 105 VAL N N 105 123.232 123.232 122.681 0.551 25489 6179 1 11 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.508 -0.094 25489 6180 1 11 . 1 1 105 105 VAL H H 105 7.379 7.379 7.219 0.160 25489 6181 1 11 . 1 1 106 106 ASP N N 106 120.160 120.160 119.767 0.393 25489 6182 1 11 . 1 1 106 106 ASP H H 106 8.615 8.615 8.231 0.384 25489 6183 1 11 . 1 1 107 107 ARG N N 107 121.041 121.041 118.723 2.318 25489 6184 1 11 . 1 1 107 107 ARG HA H 107 4.090 4.090 3.999 0.091 25489 6185 1 11 . 1 1 107 107 ARG H H 107 8.372 8.372 7.423 0.949 25489 6186 1 11 . 1 1 108 108 LEU N N 108 121.644 121.644 120.301 1.343 25489 6187 1 11 . 1 1 108 108 LEU HA H 108 4.253 4.253 3.990 0.263 25489 6188 1 11 . 1 1 108 108 LEU H H 108 8.768 8.768 8.253 0.515 25489 6189 1 11 . 1 1 109 109 VAL N N 109 120.347 120.347 120.269 0.078 25489 6190 1 11 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.303 0.068 25489 6191 1 11 . 1 1 109 109 VAL H H 109 8.762 8.762 8.822 -0.060 25489 6192 1 11 . 1 1 110 110 SER N N 110 112.949 112.949 115.562 -2.613 25489 6193 1 11 . 1 1 110 110 SER HA H 110 4.270 4.270 3.734 0.536 25489 6194 1 11 . 1 1 110 110 SER H H 110 7.605 7.605 7.574 0.031 25489 6195 1 11 . 1 1 111 111 LYS N N 111 122.434 122.434 121.822 0.612 25489 6196 1 11 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.966 0.076 25489 6197 1 11 . 1 1 111 111 LYS H H 111 8.146 8.146 8.266 -0.120 25489 6198 1 11 . 1 1 112 112 ALA N N 112 124.099 124.099 121.911 2.188 25489 6199 1 11 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.612 0.465 25489 6200 1 11 . 1 1 112 112 ALA H H 112 8.270 8.270 7.965 0.305 25489 6201 1 11 . 1 1 113 113 LEU N N 113 116.251 116.251 118.552 -2.301 25489 6202 1 11 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.462 0.260 25489 6203 1 11 . 1 1 113 113 LEU H H 113 8.019 8.019 7.711 0.308 25489 6204 1 11 . 1 1 114 114 ASN N N 114 116.659 116.659 115.455 1.204 25489 6205 1 11 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.480 0.049 25489 6206 1 11 . 1 1 114 114 ASN H H 114 8.197 8.197 7.755 0.442 25489 6207 1 11 . 1 1 115 115 MET N N 115 122.118 122.118 119.734 2.384 25489 6208 1 11 . 1 1 115 115 MET HA H 115 4.013 4.013 3.933 0.080 25489 6209 1 11 . 1 1 115 115 MET H H 115 7.918 7.918 7.218 0.700 25489 6210 1 11 . 1 1 116 116 TRP N N 116 117.117 117.117 116.666 0.451 25489 6211 1 11 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.480 0.030 25489 6212 1 11 . 1 1 116 116 TRP H H 116 6.773 6.773 7.500 -0.727 25489 6213 1 11 . 1 1 117 117 GLY N N 117 104.656 104.656 105.421 -0.765 25489 6214 1 11 . 1 1 117 117 GLY H H 117 9.305 9.305 7.446 1.859 25489 6215 1 11 . 1 1 118 118 LYS N N 118 118.567 118.567 119.869 -1.302 25489 6216 1 11 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.479 -0.302 25489 6217 1 11 . 1 1 118 118 LYS H H 118 7.947 7.947 7.501 0.446 25489 6218 1 11 . 1 1 119 119 GLU N N 119 113.899 113.899 118.035 -4.136 25489 6219 1 11 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.421 0.387 25489 6220 1 11 . 1 1 119 119 GLU H H 119 7.773 7.773 8.292 -0.519 25489 6221 1 11 . 1 1 120 120 ILE N N 120 111.215 111.215 120.137 -8.922 25489 6222 1 11 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.538 0.783 25489 6223 1 11 . 1 1 120 120 ILE H H 120 7.528 7.528 8.031 -0.503 25489 6224 1 11 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.591 0.030 25489 6225 1 11 . 1 1 122 122 LEU N N 122 121.481 121.481 122.466 -0.985 25489 6226 1 11 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.429 -0.137 25489 6227 1 11 . 1 1 122 122 LEU H H 122 6.815 6.815 7.997 -1.182 25489 6228 1 11 . 1 1 123 123 HIS N N 123 120.769 120.769 123.673 -2.904 25489 6229 1 11 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.514 0.078 25489 6230 1 11 . 1 1 123 123 HIS H H 123 7.709 7.709 8.428 -0.719 25489 6231 1 11 . 1 1 124 124 PHE N N 124 120.530 120.530 120.993 -0.463 25489 6232 1 11 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.035 0.777 25489 6233 1 11 . 1 1 124 124 PHE H H 124 8.306 8.306 7.542 0.764 25489 6234 1 11 . 1 1 125 125 ARG N N 125 123.891 123.891 123.459 0.432 25489 6235 1 11 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.813 -0.160 25489 6236 1 11 . 1 1 125 125 ARG H H 125 8.408 8.408 8.754 -0.346 25489 6237 1 11 . 1 1 126 126 LYS N N 126 130.178 130.178 124.764 5.414 25489 6238 1 11 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.873 -0.512 25489 6239 1 11 . 1 1 126 126 LYS H H 126 8.468 8.468 8.568 -0.100 25489 6240 1 11 . 1 1 127 127 VAL N N 127 125.180 125.180 127.497 -2.317 25489 6241 1 11 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.262 0.246 25489 6242 1 11 . 1 1 127 127 VAL H H 127 8.679 8.679 7.737 0.942 25489 6243 1 11 . 1 1 128 128 VAL N N 128 117.584 117.584 122.118 -4.534 25489 6244 1 11 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.186 0.100 25489 6245 1 11 . 1 1 128 128 VAL H H 128 8.469 8.469 8.176 0.293 25489 6246 1 11 . 1 1 129 129 TRP N N 129 119.805 119.805 120.707 -0.902 25489 6247 1 11 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.731 -0.045 25489 6248 1 11 . 1 1 129 129 TRP H H 129 7.447 7.447 7.553 -0.106 25489 6249 1 11 . 1 1 130 130 GLY N N 130 109.844 109.844 113.764 -3.920 25489 6250 1 11 . 1 1 130 130 GLY H H 130 8.072 8.072 7.524 0.548 25489 6251 1 11 . 1 1 131 131 THR N N 131 116.125 116.125 114.032 2.093 25489 6252 1 11 . 1 1 131 131 THR HA H 131 4.123 4.123 4.467 -0.344 25489 6253 1 11 . 1 1 131 131 THR H H 131 8.196 8.196 8.229 -0.033 25489 6254 1 11 . 1 1 132 132 ALA N N 132 129.613 129.613 130.234 -0.621 25489 6255 1 11 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.492 0.019 25489 6256 1 11 . 1 1 132 132 ALA H H 132 7.919 7.919 8.592 -0.673 25489 6257 1 11 . 1 1 133 133 ASP N N 133 123.004 123.004 122.638 0.366 25489 6258 1 11 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.649 -0.207 25489 6259 1 11 . 1 1 133 133 ASP H H 133 8.248 8.248 8.486 -0.238 25489 6260 1 11 . 1 1 134 134 ILE N N 134 125.478 125.478 122.865 2.613 25489 6261 1 11 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.062 0.031 25489 6262 1 11 . 1 1 134 134 ILE H H 134 8.804 8.804 8.000 0.804 25489 6263 1 11 . 1 1 135 135 MET N N 135 127.471 127.471 127.282 0.189 25489 6264 1 11 . 1 1 135 135 MET HA H 135 5.194 5.194 5.405 -0.211 25489 6265 1 11 . 1 1 135 135 MET H H 135 7.437 7.437 8.913 -1.476 25489 6266 1 11 . 1 1 136 136 ILE N N 136 125.040 125.040 123.895 1.145 25489 6267 1 11 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.417 1.160 25489 6268 1 11 . 1 1 136 136 ILE H H 136 9.085 9.085 8.063 1.022 25489 6269 1 11 . 1 1 137 137 GLY N N 137 112.059 112.059 112.184 -0.125 25489 6270 1 11 . 1 1 137 137 GLY H H 137 8.568 8.568 7.891 0.677 25489 6271 1 11 . 1 1 138 138 PHE N N 138 119.447 119.447 120.479 -1.032 25489 6272 1 11 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.446 0.008 25489 6273 1 11 . 1 1 138 138 PHE H H 138 7.861 7.861 8.671 -0.810 25489 6274 1 11 . 1 1 139 139 ALA N N 139 123.657 123.657 124.695 -1.038 25489 6275 1 11 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.657 0.078 25489 6276 1 11 . 1 1 139 139 ALA H H 139 8.939 8.939 9.035 -0.096 25489 6277 1 11 . 1 1 140 140 ARG N N 140 118.688 118.688 120.264 -1.576 25489 6278 1 11 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.692 0.382 25489 6279 1 11 . 1 1 140 140 ARG H H 140 8.563 8.563 8.496 0.067 25489 6280 1 11 . 1 1 141 141 GLY N N 141 108.964 108.964 106.543 2.421 25489 6281 1 11 . 1 1 141 141 GLY H H 141 9.018 9.018 8.508 0.510 25489 6282 1 11 . 1 1 143 143 HIS N N 143 120.218 120.218 116.408 3.810 25489 6283 1 11 . 1 1 143 143 HIS H H 143 8.998 8.998 7.972 1.026 25489 6284 1 11 . 1 1 145 145 ASP N N 145 117.684 117.684 119.174 -1.490 25489 6285 1 11 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.554 0.146 25489 6286 1 11 . 1 1 145 145 ASP H H 145 7.088 7.088 8.381 -1.293 25489 6287 1 11 . 1 1 146 146 SER HA H 146 4.140 4.140 4.390 -0.250 25489 6288 1 11 . 1 1 146 146 SER H H 146 8.220 8.220 7.520 0.700 25489 6289 1 11 . 1 1 147 147 TYR N N 147 120.867 120.867 122.682 -1.815 25489 6290 1 11 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.189 0.599 25489 6291 1 11 . 1 1 147 147 TYR H H 147 7.459 7.459 8.532 -1.073 25489 6292 1 11 . 1 1 149 149 PHE N N 149 120.630 120.630 118.819 1.811 25489 6293 1 11 . 1 1 149 149 PHE H H 149 8.018 8.018 8.543 -0.525 25489 6294 1 11 . 1 1 150 150 ASP N N 150 115.626 115.626 116.328 -0.702 25489 6295 1 11 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.335 0.508 25489 6296 1 11 . 1 1 150 150 ASP H H 150 7.543 7.543 8.007 -0.464 25489 6297 1 11 . 1 1 151 151 GLY N N 151 110.700 110.700 106.057 4.643 25489 6298 1 11 . 1 1 151 151 GLY H H 151 9.074 9.074 8.079 0.995 25489 6299 1 11 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.546 -0.520 25489 6300 1 11 . 1 1 153 153 GLY N N 153 118.786 118.786 116.131 2.655 25489 6301 1 11 . 1 1 153 153 GLY H H 153 11.385 11.385 8.291 3.094 25489 6302 1 11 . 1 1 154 154 ASN N N 154 120.613 120.613 124.874 -4.261 25489 6303 1 11 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.345 -0.147 25489 6304 1 11 . 1 1 154 154 ASN H H 154 9.225 9.225 8.552 0.673 25489 6305 1 11 . 1 1 155 155 THR N N 155 118.700 118.700 114.074 4.626 25489 6306 1 11 . 1 1 155 155 THR HA H 155 5.542 5.542 4.094 1.448 25489 6307 1 11 . 1 1 155 155 THR H H 155 9.519 9.519 8.618 0.901 25489 6308 1 11 . 1 1 156 156 LEU N N 156 122.765 122.765 124.423 -1.658 25489 6309 1 11 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.655 0.287 25489 6310 1 11 . 1 1 156 156 LEU H H 156 8.500 8.500 8.957 -0.457 25489 6311 1 11 . 1 1 157 157 ALA N N 157 115.545 115.545 117.283 -1.738 25489 6312 1 11 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.702 0.305 25489 6313 1 11 . 1 1 157 157 ALA H H 157 7.545 7.545 7.421 0.124 25489 6314 1 11 . 1 1 158 158 HIS N N 158 111.868 111.868 115.295 -3.427 25489 6315 1 11 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.932 -0.315 25489 6316 1 11 . 1 1 158 158 HIS H H 158 8.774 8.774 8.445 0.329 25489 6317 1 11 . 1 1 159 159 ALA N N 159 118.565 118.565 123.277 -4.712 25489 6318 1 11 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.878 -0.221 25489 6319 1 11 . 1 1 159 159 ALA H H 159 6.114 6.114 8.272 -2.158 25489 6320 1 11 . 1 1 160 160 PHE N N 160 118.042 118.042 119.916 -1.874 25489 6321 1 11 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.633 -0.152 25489 6322 1 11 . 1 1 160 160 PHE H H 160 7.897 7.897 8.811 -0.914 25489 6323 1 11 . 1 1 161 161 ALA N N 161 123.548 123.548 124.221 -0.673 25489 6324 1 11 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.304 0.179 25489 6325 1 11 . 1 1 161 161 ALA H H 161 8.089 8.089 8.216 -0.127 25489 6326 1 11 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.514 -1.643 25489 6327 1 11 . 1 1 163 163 GLY N N 163 107.255 107.255 110.134 -2.879 25489 6328 1 11 . 1 1 163 163 GLY H H 163 5.992 5.992 7.500 -1.508 25489 6329 1 11 . 1 1 165 165 GLY H H 165 9.149 9.149 8.536 0.613 25489 6330 1 11 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.056 0.097 25489 6331 1 11 . 1 1 167 167 GLY N N 167 103.338 103.338 104.151 -0.813 25489 6332 1 11 . 1 1 167 167 GLY H H 167 7.774 7.774 7.311 0.463 25489 6333 1 11 . 1 1 168 168 GLY N N 168 121.031 121.031 109.499 11.532 25489 6334 1 11 . 1 1 168 168 GLY H H 168 7.685 7.685 8.342 -0.657 25489 6335 1 11 . 1 1 169 169 ASP N N 169 123.703 123.703 121.896 1.807 25489 6336 1 11 . 1 1 169 169 ASP H H 169 8.578 8.578 7.748 0.830 25489 6337 1 11 . 1 1 170 170 ALA N N 170 119.569 119.569 122.707 -3.138 25489 6338 1 11 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.464 0.240 25489 6339 1 11 . 1 1 170 170 ALA H H 170 8.371 8.371 7.957 0.414 25489 6340 1 11 . 1 1 171 171 HIS N N 171 120.286 120.286 119.037 1.249 25489 6341 1 11 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.728 1.002 25489 6342 1 11 . 1 1 171 171 HIS H H 171 8.513 8.513 8.109 0.404 25489 6343 1 11 . 1 1 172 172 PHE N N 172 120.919 120.919 124.319 -3.400 25489 6344 1 11 . 1 1 172 172 PHE H H 172 8.457 8.457 8.557 -0.100 25489 6345 1 11 . 1 1 173 173 ASP N N 173 123.993 123.993 121.881 2.112 25489 6346 1 11 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.197 -1.301 25489 6347 1 11 . 1 1 173 173 ASP H H 173 7.915 7.915 8.911 -0.996 25489 6348 1 11 . 1 1 174 174 GLU N N 174 132.684 132.684 124.148 8.536 25489 6349 1 11 . 1 1 174 174 GLU H H 174 9.461 9.461 8.525 0.936 25489 6350 1 11 . 1 1 175 175 ASP N N 175 117.313 117.313 118.638 -1.325 25489 6351 1 11 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.472 0.325 25489 6352 1 11 . 1 1 175 175 ASP H H 175 8.756 8.756 8.163 0.593 25489 6353 1 11 . 1 1 176 176 GLU N N 176 116.511 116.511 118.910 -2.399 25489 6354 1 11 . 1 1 176 176 GLU H H 176 7.154 7.154 7.771 -0.617 25489 6355 1 11 . 1 1 177 177 ARG N N 177 121.920 121.920 125.153 -3.233 25489 6356 1 11 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.352 0.273 25489 6357 1 11 . 1 1 177 177 ARG H H 177 7.555 7.555 8.238 -0.683 25489 6358 1 11 . 1 1 178 178 TRP N N 178 129.182 129.182 127.028 2.154 25489 6359 1 11 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.489 -0.376 25489 6360 1 11 . 1 1 178 178 TRP H H 178 8.788 8.788 8.706 0.082 25489 6361 1 11 . 1 1 179 179 THR N N 179 112.874 112.874 115.648 -2.774 25489 6362 1 11 . 1 1 179 179 THR HA H 179 5.015 5.015 4.759 0.256 25489 6363 1 11 . 1 1 179 179 THR H H 179 8.946 8.946 8.833 0.113 25489 6364 1 11 . 1 1 180 180 ASP N N 180 121.969 121.969 127.605 -5.636 25489 6365 1 11 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.871 -0.449 25489 6366 1 11 . 1 1 180 180 ASP H H 180 8.478 8.478 8.748 -0.270 25489 6367 1 11 . 1 1 181 181 GLY N N 181 110.059 110.059 108.401 1.658 25489 6368 1 11 . 1 1 181 181 GLY H H 181 8.572 8.572 8.417 0.155 25489 6369 1 11 . 1 1 182 182 SER N N 182 115.564 115.564 117.271 -1.707 25489 6370 1 11 . 1 1 182 182 SER HA H 182 4.599 4.599 4.365 0.234 25489 6371 1 11 . 1 1 182 182 SER H H 182 8.173 8.173 8.061 0.112 25489 6372 1 11 . 1 1 183 183 SER N N 183 117.066 117.066 113.698 3.368 25489 6373 1 11 . 1 1 183 183 SER H H 183 7.819 7.819 8.283 -0.464 25489 6374 1 11 . 1 1 184 184 LEU N N 184 121.954 121.954 121.844 0.110 25489 6375 1 11 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.326 0.036 25489 6376 1 11 . 1 1 184 184 LEU H H 184 8.104 8.104 7.327 0.777 25489 6377 1 11 . 1 1 185 185 GLY N N 185 108.989 108.989 105.050 3.939 25489 6378 1 11 . 1 1 185 185 GLY H H 185 7.954 7.954 7.345 0.609 25489 6379 1 11 . 1 1 186 186 ILE N N 186 123.084 123.084 121.762 1.322 25489 6380 1 11 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.413 0.366 25489 6381 1 11 . 1 1 186 186 ILE H H 186 8.878 8.878 7.867 1.011 25489 6382 1 11 . 1 1 187 187 ASN N N 187 126.999 126.999 123.229 3.770 25489 6383 1 11 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.854 -0.458 25489 6384 1 11 . 1 1 187 187 ASN H H 187 8.575 8.575 7.640 0.935 25489 6385 1 11 . 1 1 188 188 PHE N N 188 129.819 129.819 128.019 1.800 25489 6386 1 11 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.393 0.198 25489 6387 1 11 . 1 1 188 188 PHE H H 188 9.365 9.365 8.259 1.106 25489 6388 1 11 . 1 1 189 189 LEU N N 189 119.292 119.292 121.096 -1.804 25489 6389 1 11 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.442 0.391 25489 6390 1 11 . 1 1 189 189 LEU H H 189 8.551 8.551 8.307 0.244 25489 6391 1 11 . 1 1 191 191 ALA N N 191 120.347 120.347 119.904 0.443 25489 6392 1 11 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.310 -0.013 25489 6393 1 11 . 1 1 191 191 ALA H H 191 7.973 7.973 7.887 0.086 25489 6394 1 11 . 1 1 192 192 ALA N N 192 121.365 121.365 121.632 -0.267 25489 6395 1 11 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.737 0.280 25489 6396 1 11 . 1 1 192 192 ALA H H 192 9.258 9.258 8.082 1.176 25489 6397 1 11 . 1 1 193 193 THR N N 193 117.027 117.027 113.454 3.573 25489 6398 1 11 . 1 1 193 193 THR HA H 193 3.825 3.825 3.650 0.175 25489 6399 1 11 . 1 1 193 193 THR H H 193 8.209 8.209 7.825 0.384 25489 6400 1 11 . 1 1 194 194 HIS N N 194 120.231 120.231 122.596 -2.365 25489 6401 1 11 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.298 -0.065 25489 6402 1 11 . 1 1 194 194 HIS H H 194 7.805 7.805 7.846 -0.041 25489 6403 1 11 . 1 1 195 195 ALA N N 195 121.346 121.346 120.590 0.756 25489 6404 1 11 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.476 -0.296 25489 6405 1 11 . 1 1 195 195 ALA H H 195 8.693 8.693 7.579 1.114 25489 6406 1 11 . 1 1 196 196 LEU N N 196 114.951 114.951 116.740 -1.789 25489 6407 1 11 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.123 0.035 25489 6408 1 11 . 1 1 196 196 LEU H H 196 8.714 8.714 8.156 0.558 25489 6409 1 11 . 1 1 197 197 GLY N N 197 107.954 107.954 106.403 1.551 25489 6410 1 11 . 1 1 197 197 GLY H H 197 7.540 7.540 7.675 -0.135 25489 6411 1 11 . 1 1 198 198 HIS N N 198 121.996 121.996 120.984 1.012 25489 6412 1 11 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.324 0.485 25489 6413 1 11 . 1 1 198 198 HIS H H 198 7.205 7.205 7.171 0.034 25489 6414 1 11 . 1 1 199 199 SER N N 199 118.570 118.570 116.792 1.778 25489 6415 1 11 . 1 1 199 199 SER HA H 199 4.448 4.448 4.318 0.130 25489 6416 1 11 . 1 1 199 199 SER H H 199 7.886 7.886 7.750 0.136 25489 6417 1 11 . 1 1 200 200 LEU N N 200 114.779 114.779 117.055 -2.276 25489 6418 1 11 . 1 1 200 200 LEU H H 200 7.106 7.106 7.707 -0.601 25489 6419 1 11 . 1 1 201 201 GLY N N 201 108.350 108.350 106.194 2.156 25489 6420 1 11 . 1 1 201 201 GLY H H 201 8.213 8.213 7.707 0.506 25489 6421 1 11 . 1 1 202 202 MET N N 202 119.623 119.623 119.467 0.156 25489 6422 1 11 . 1 1 202 202 MET HA H 202 4.484 4.484 4.330 0.154 25489 6423 1 11 . 1 1 202 202 MET H H 202 8.189 8.189 7.994 0.195 25489 6424 1 11 . 1 1 203 203 GLY N N 203 109.770 109.770 105.765 4.005 25489 6425 1 11 . 1 1 203 203 GLY H H 203 8.413 8.413 8.173 0.240 25489 6426 1 11 . 1 1 204 204 HIS N N 204 115.793 115.793 117.120 -1.327 25489 6427 1 11 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.831 0.543 25489 6428 1 11 . 1 1 204 204 HIS H H 204 8.383 8.383 8.075 0.308 25489 6429 1 11 . 1 1 205 205 SER N N 205 115.497 115.497 113.648 1.849 25489 6430 1 11 . 1 1 205 205 SER HA H 205 4.721 4.721 4.703 0.018 25489 6431 1 11 . 1 1 205 205 SER H H 205 7.223 7.223 8.180 -0.957 25489 6432 1 11 . 1 1 206 206 SER N N 206 119.268 119.268 119.647 -0.379 25489 6433 1 11 . 1 1 206 206 SER HA H 206 3.721 3.721 4.574 -0.853 25489 6434 1 11 . 1 1 206 206 SER H H 206 8.290 8.290 8.787 -0.497 25489 6435 1 11 . 1 1 207 207 ASP N N 207 126.656 126.656 122.966 3.690 25489 6436 1 11 . 1 1 207 207 ASP H H 207 8.541 8.541 7.581 0.960 25489 6437 1 11 . 1 1 209 209 ASN N N 209 115.911 115.911 116.418 -0.507 25489 6438 1 11 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.817 -0.201 25489 6439 1 11 . 1 1 209 209 ASN H H 209 8.374 8.374 7.977 0.397 25489 6440 1 11 . 1 1 210 210 ALA N N 210 124.929 124.929 122.176 2.753 25489 6441 1 11 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.648 -0.494 25489 6442 1 11 . 1 1 210 210 ALA H H 210 8.182 8.182 7.892 0.290 25489 6443 1 11 . 1 1 211 211 VAL N N 211 130.383 130.383 123.571 6.812 25489 6444 1 11 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.250 1.000 25489 6445 1 11 . 1 1 211 211 VAL H H 211 11.554 11.554 9.459 2.095 25489 6446 1 11 . 1 1 212 212 MET N N 212 113.319 113.319 115.915 -2.596 25489 6447 1 11 . 1 1 212 212 MET H H 212 7.741 7.741 8.376 -0.635 25489 6448 1 11 . 1 1 213 213 TYR N N 213 130.006 130.006 123.446 6.560 25489 6449 1 11 . 1 1 213 213 TYR H H 213 7.899 7.899 8.036 -0.137 25489 6450 1 11 . 1 1 215 215 THR N N 215 104.747 104.747 108.762 -4.015 25489 6451 1 11 . 1 1 215 215 THR HA H 215 4.404 4.404 4.526 -0.122 25489 6452 1 11 . 1 1 215 215 THR H H 215 6.402 6.402 7.170 -0.768 25489 6453 1 11 . 1 1 216 216 TYR N N 216 124.699 124.699 124.221 0.478 25489 6454 1 11 . 1 1 216 216 TYR H H 216 8.341 8.341 8.846 -0.505 25489 6455 1 11 . 1 1 217 217 GLY N N 217 116.288 116.288 112.570 3.718 25489 6456 1 11 . 1 1 217 217 GLY H H 217 7.685 7.685 7.400 0.285 25489 6457 1 11 . 1 1 218 218 ASN N N 218 119.920 119.920 117.907 2.013 25489 6458 1 11 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.360 0.260 25489 6459 1 11 . 1 1 218 218 ASN H H 218 8.221 8.221 8.562 -0.341 25489 6460 1 11 . 1 1 219 219 GLY N N 219 109.601 109.601 107.011 2.590 25489 6461 1 11 . 1 1 219 219 GLY H H 219 8.072 8.072 7.340 0.732 25489 6462 1 11 . 1 1 220 220 ASP N N 220 123.006 123.006 123.096 -0.090 25489 6463 1 11 . 1 1 220 220 ASP H H 220 8.280 8.280 8.269 0.011 25489 6464 1 11 . 1 1 222 222 GLN N N 222 116.642 116.642 123.271 -6.629 25489 6465 1 11 . 1 1 222 222 GLN H H 222 8.215 8.215 8.674 -0.459 25489 6466 1 11 . 1 1 223 223 ASN N N 223 118.361 118.361 114.237 4.124 25489 6467 1 11 . 1 1 223 223 ASN H H 223 7.970 7.970 8.150 -0.180 25489 6468 1 11 . 1 1 225 225 LYS N N 225 122.215 122.215 125.960 -3.745 25489 6469 1 11 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.741 -0.325 25489 6470 1 11 . 1 1 225 225 LYS H H 225 7.656 7.656 8.087 -0.431 25489 6471 1 11 . 1 1 226 226 LEU N N 226 119.165 119.165 122.563 -3.398 25489 6472 1 11 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.426 -0.338 25489 6473 1 11 . 1 1 226 226 LEU H H 226 7.984 7.984 8.439 -0.455 25489 6474 1 11 . 1 1 227 227 SER N N 227 120.520 120.520 116.375 4.145 25489 6475 1 11 . 1 1 227 227 SER HA H 227 4.676 4.676 4.629 0.047 25489 6476 1 11 . 1 1 227 227 SER H H 227 9.646 9.646 9.430 0.216 25489 6477 1 11 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.153 0.521 25489 6478 1 11 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.536 -0.162 25489 6479 1 11 . 1 1 229 229 ASP H H 229 8.113 8.113 8.219 -0.106 25489 6480 1 11 . 1 1 230 230 ASP N N 230 119.878 119.878 119.942 -0.064 25489 6481 1 11 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.505 -0.167 25489 6482 1 11 . 1 1 230 230 ASP H H 230 7.397 7.397 7.957 -0.560 25489 6483 1 11 . 1 1 231 231 ILE N N 231 120.389 120.389 119.856 0.533 25489 6484 1 11 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.716 -0.061 25489 6485 1 11 . 1 1 231 231 ILE H H 231 8.100 8.100 7.509 0.591 25489 6486 1 11 . 1 1 232 232 LYS N N 232 119.084 119.084 119.504 -0.420 25489 6487 1 11 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.136 -0.041 25489 6488 1 11 . 1 1 232 232 LYS H H 232 8.581 8.581 8.354 0.227 25489 6489 1 11 . 1 1 233 233 GLY N N 233 106.424 106.424 105.966 0.458 25489 6490 1 11 . 1 1 233 233 GLY H H 233 8.061 8.061 8.174 -0.113 25489 6491 1 11 . 1 1 234 234 ILE N N 234 125.166 125.166 122.691 2.475 25489 6492 1 11 . 1 1 234 234 ILE H H 234 8.517 8.517 7.306 1.211 25489 6493 1 11 . 1 1 235 235 GLN N N 235 122.969 122.969 118.713 4.256 25489 6494 1 11 . 1 1 235 235 GLN HA H 235 4.381 4.381 2.783 1.598 25489 6495 1 11 . 1 1 235 235 GLN H H 235 8.291 8.291 8.343 -0.052 25489 6496 1 11 . 1 1 236 236 LYS N N 236 123.770 123.770 120.540 3.230 25489 6497 1 11 . 1 1 236 236 LYS H H 236 8.035 8.035 7.309 0.726 25489 6498 1 11 . 1 1 237 237 LEU N N 237 116.854 116.854 121.320 -4.466 25489 6499 1 11 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.221 -0.262 25489 6500 1 11 . 1 1 237 237 LEU H H 237 6.886 6.886 7.488 -0.602 25489 6501 1 11 . 1 1 238 238 TYR N N 238 112.132 112.132 113.931 -1.799 25489 6502 1 11 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.783 -0.157 25489 6503 1 11 . 1 1 238 238 TYR H H 238 7.459 7.459 7.180 0.279 25489 6504 1 11 . 1 1 239 239 GLY N N 239 110.898 110.898 109.198 1.700 25489 6505 1 11 . 1 1 239 239 GLY H H 239 8.442 8.442 7.397 1.045 25489 6506 1 11 . 1 1 240 240 LYS N N 240 114.400 114.400 119.953 -5.553 25489 6507 1 11 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.394 0.410 25489 6508 1 11 . 1 1 240 240 LYS H H 240 7.865 7.865 8.191 -0.326 25489 6509 1 11 . 1 1 241 241 ARG N N 241 123.851 123.851 122.181 1.670 25489 6510 1 11 . 1 1 241 241 ARG H H 241 7.760 7.760 8.701 -0.941 25489 6511 1 11 . 1 1 242 242 SER N N 242 135.647 135.647 119.442 16.205 25489 6512 1 11 . 1 1 242 242 SER H H 242 9.158 9.158 8.657 0.501 25489 6513 1 12 . 1 1 3 3 GLU N N 3 121.690 121.690 126.839 -5.149 25489 6514 1 12 . 1 1 3 3 GLU H H 3 8.332 8.332 9.099 -0.767 25489 6515 1 12 . 1 1 4 4 ALA N N 4 124.526 124.526 119.220 5.306 25489 6516 1 12 . 1 1 4 4 ALA H H 4 8.111 8.111 8.380 -0.269 25489 6517 1 12 . 1 1 5 5 GLY N N 5 108.229 108.229 105.585 2.644 25489 6518 1 12 . 1 1 5 5 GLY H H 5 8.286 8.286 7.484 0.802 25489 6519 1 12 . 1 1 6 6 GLY N N 6 108.867 108.867 108.538 0.329 25489 6520 1 12 . 1 1 6 6 GLY H H 6 8.239 8.239 7.624 0.615 25489 6521 1 12 . 1 1 7 7 MET N N 7 119.984 119.984 118.486 1.498 25489 6522 1 12 . 1 1 7 7 MET H H 7 8.044 8.044 7.201 0.843 25489 6523 1 12 . 1 1 8 8 SER N N 8 118.771 118.771 114.716 4.055 25489 6524 1 12 . 1 1 8 8 SER HA H 8 4.239 4.239 4.463 -0.224 25489 6525 1 12 . 1 1 8 8 SER H H 8 8.738 8.738 8.436 0.302 25489 6526 1 12 . 1 1 9 9 GLU N N 9 122.551 122.551 128.425 -5.874 25489 6527 1 12 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.148 0.104 25489 6528 1 12 . 1 1 9 9 GLU H H 9 8.919 8.919 9.056 -0.137 25489 6529 1 12 . 1 1 10 10 LEU N N 10 120.638 120.638 119.655 0.983 25489 6530 1 12 . 1 1 10 10 LEU H H 10 8.017 8.017 7.418 0.599 25489 6531 1 12 . 1 1 11 11 GLN N N 11 119.889 119.889 118.252 1.637 25489 6532 1 12 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.100 0.034 25489 6533 1 12 . 1 1 11 11 GLN H H 11 7.807 7.807 7.878 -0.071 25489 6534 1 12 . 1 1 12 12 TRP N N 12 120.951 120.951 122.460 -1.509 25489 6535 1 12 . 1 1 12 12 TRP H H 12 8.202 8.202 8.919 -0.717 25489 6536 1 12 . 1 1 13 13 GLU N N 13 121.870 121.870 119.044 2.826 25489 6537 1 12 . 1 1 13 13 GLU H H 13 8.436 8.436 8.241 0.195 25489 6538 1 12 . 1 1 14 14 GLN N N 14 120.646 120.646 117.818 2.828 25489 6539 1 12 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.811 0.358 25489 6540 1 12 . 1 1 14 14 GLN H H 14 8.159 8.159 7.565 0.594 25489 6541 1 12 . 1 1 15 15 ALA N N 15 123.216 123.216 122.915 0.301 25489 6542 1 12 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.740 0.598 25489 6543 1 12 . 1 1 15 15 ALA H H 15 8.355 8.355 7.674 0.681 25489 6544 1 12 . 1 1 16 16 GLN N N 16 117.766 117.766 116.154 1.612 25489 6545 1 12 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.719 -0.014 25489 6546 1 12 . 1 1 16 16 GLN H H 16 8.440 8.440 7.533 0.907 25489 6547 1 12 . 1 1 17 17 ASP N N 17 120.090 120.090 119.798 0.292 25489 6548 1 12 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.405 0.058 25489 6549 1 12 . 1 1 17 17 ASP H H 17 7.899 7.899 7.347 0.552 25489 6550 1 12 . 1 1 18 18 TYR N N 18 122.296 122.296 118.589 3.707 25489 6551 1 12 . 1 1 18 18 TYR H H 18 8.264 8.264 8.400 -0.136 25489 6552 1 12 . 1 1 19 19 LEU N N 19 117.675 117.675 120.172 -2.497 25489 6553 1 12 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.255 -0.130 25489 6554 1 12 . 1 1 19 19 LEU H H 19 8.687 8.687 7.803 0.884 25489 6555 1 12 . 1 1 20 20 LYS N N 20 124.620 124.620 118.423 6.197 25489 6556 1 12 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.232 -0.089 25489 6557 1 12 . 1 1 20 20 LYS H H 20 8.790 8.790 7.633 1.157 25489 6558 1 12 . 1 1 21 21 ARG N N 21 117.608 117.608 116.386 1.222 25489 6559 1 12 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.296 -0.599 25489 6560 1 12 . 1 1 21 21 ARG H H 21 7.835 7.835 7.487 0.348 25489 6561 1 12 . 1 1 22 22 PHE N N 22 112.136 112.136 118.872 -6.736 25489 6562 1 12 . 1 1 22 22 PHE H H 22 8.003 8.003 8.080 -0.077 25489 6563 1 12 . 1 1 23 23 TYR N N 23 116.244 116.244 115.199 1.045 25489 6564 1 12 . 1 1 23 23 TYR H H 23 7.678 7.678 7.888 -0.210 25489 6565 1 12 . 1 1 24 24 LEU N N 24 115.582 115.582 114.576 1.006 25489 6566 1 12 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.520 -0.385 25489 6567 1 12 . 1 1 24 24 LEU H H 24 7.238 7.238 7.833 -0.595 25489 6568 1 12 . 1 1 25 25 TYR N N 25 119.996 119.996 124.784 -4.788 25489 6569 1 12 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.556 -0.151 25489 6570 1 12 . 1 1 25 25 TYR H H 25 7.826 7.826 8.411 -0.585 25489 6571 1 12 . 1 1 26 26 ASP N N 26 129.292 129.292 127.916 1.376 25489 6572 1 12 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.342 0.119 25489 6573 1 12 . 1 1 26 26 ASP H H 26 8.121 8.121 8.258 -0.137 25489 6574 1 12 . 1 1 28 28 GLU N N 28 122.115 122.115 122.177 -0.062 25489 6575 1 12 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.204 0.077 25489 6576 1 12 . 1 1 28 28 GLU H H 28 8.262 8.262 8.284 -0.022 25489 6577 1 12 . 1 1 29 29 THR N N 29 114.171 114.171 114.138 0.033 25489 6578 1 12 . 1 1 29 29 THR HA H 29 4.222 4.222 4.271 -0.049 25489 6579 1 12 . 1 1 29 29 THR H H 29 7.496 7.496 8.178 -0.682 25489 6580 1 12 . 1 1 30 30 LYS N N 30 123.019 123.019 123.132 -0.113 25489 6581 1 12 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.044 0.174 25489 6582 1 12 . 1 1 30 30 LYS H H 30 8.154 8.154 7.339 0.815 25489 6583 1 12 . 1 1 32 32 ALA N N 32 126.481 126.481 123.849 2.632 25489 6584 1 12 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.090 0.160 25489 6585 1 12 . 1 1 32 32 ALA H H 32 8.424 8.424 8.830 -0.406 25489 6586 1 12 . 1 1 33 33 ASN N N 33 116.834 116.834 114.293 2.541 25489 6587 1 12 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.724 -0.026 25489 6588 1 12 . 1 1 33 33 ASN H H 33 8.312 8.312 8.337 -0.025 25489 6589 1 12 . 1 1 34 34 SER N N 34 116.960 116.960 118.274 -1.314 25489 6590 1 12 . 1 1 34 34 SER HA H 34 4.522 4.522 4.332 0.190 25489 6591 1 12 . 1 1 34 34 SER H H 34 8.112 8.112 7.871 0.241 25489 6592 1 12 . 1 1 35 35 LEU N N 35 125.335 125.335 120.732 4.603 25489 6593 1 12 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.053 -0.502 25489 6594 1 12 . 1 1 35 35 LEU H H 35 8.324 8.324 8.941 -0.617 25489 6595 1 12 . 1 1 36 36 GLU N N 36 119.302 119.302 120.109 -0.807 25489 6596 1 12 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.061 -0.118 25489 6597 1 12 . 1 1 36 36 GLU H H 36 8.239 8.239 7.843 0.396 25489 6598 1 12 . 1 1 37 37 ALA N N 37 120.683 120.683 122.535 -1.852 25489 6599 1 12 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.069 -0.022 25489 6600 1 12 . 1 1 37 37 ALA H H 37 7.898 7.898 8.183 -0.285 25489 6601 1 12 . 1 1 38 38 LYS N N 38 119.470 119.470 119.026 0.444 25489 6602 1 12 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.147 0.186 25489 6603 1 12 . 1 1 38 38 LYS H H 38 8.217 8.217 7.655 0.562 25489 6604 1 12 . 1 1 39 39 LEU N N 39 122.664 122.664 120.651 2.013 25489 6605 1 12 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.020 -0.106 25489 6606 1 12 . 1 1 39 39 LEU H H 39 8.658 8.658 8.204 0.454 25489 6607 1 12 . 1 1 40 40 LYS N N 40 118.301 118.301 119.331 -1.030 25489 6608 1 12 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.931 0.742 25489 6609 1 12 . 1 1 40 40 LYS H H 40 8.221 8.221 8.333 -0.112 25489 6610 1 12 . 1 1 41 41 GLU N N 41 121.462 121.462 119.703 1.759 25489 6611 1 12 . 1 1 41 41 GLU HA H 41 4.068 4.068 3.989 0.079 25489 6612 1 12 . 1 1 41 41 GLU H H 41 7.736 7.736 8.133 -0.397 25489 6613 1 12 . 1 1 42 42 MET N N 42 123.761 123.761 117.810 5.951 25489 6614 1 12 . 1 1 42 42 MET HA H 42 4.046 4.046 4.326 -0.280 25489 6615 1 12 . 1 1 42 42 MET H H 42 7.672 7.672 7.858 -0.186 25489 6616 1 12 . 1 1 43 43 GLN N N 43 120.035 120.035 117.623 2.412 25489 6617 1 12 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.148 -0.352 25489 6618 1 12 . 1 1 43 43 GLN H H 43 8.904 8.904 7.739 1.165 25489 6619 1 12 . 1 1 44 44 LYS N N 44 119.131 119.131 118.928 0.203 25489 6620 1 12 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.493 -0.441 25489 6621 1 12 . 1 1 44 44 LYS H H 44 8.511 8.511 7.803 0.708 25489 6622 1 12 . 1 1 45 45 PHE N N 45 123.544 123.544 118.418 5.126 25489 6623 1 12 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.368 -0.518 25489 6624 1 12 . 1 1 45 45 PHE H H 45 8.438 8.438 8.440 -0.002 25489 6625 1 12 . 1 1 46 46 PHE N N 46 112.789 112.789 115.349 -2.560 25489 6626 1 12 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.704 -0.122 25489 6627 1 12 . 1 1 46 46 PHE H H 46 8.273 8.273 8.005 0.268 25489 6628 1 12 . 1 1 47 47 GLY N N 47 110.408 110.408 106.390 4.018 25489 6629 1 12 . 1 1 47 47 GLY H H 47 7.922 7.922 7.523 0.399 25489 6630 1 12 . 1 1 48 48 LEU N N 48 121.853 121.853 123.204 -1.351 25489 6631 1 12 . 1 1 48 48 LEU H H 48 8.747 8.747 7.611 1.136 25489 6632 1 12 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.371 -0.170 25489 6633 1 12 . 1 1 50 50 ILE N N 50 127.000 127.000 122.640 4.360 25489 6634 1 12 . 1 1 50 50 ILE H H 50 8.529 8.529 7.769 0.760 25489 6635 1 12 . 1 1 51 51 THR N N 51 116.519 116.519 117.211 -0.692 25489 6636 1 12 . 1 1 51 51 THR H H 51 7.980 7.980 8.257 -0.277 25489 6637 1 12 . 1 1 52 52 GLY N N 52 112.725 112.725 112.068 0.657 25489 6638 1 12 . 1 1 52 52 GLY H H 52 9.483 9.483 9.760 -0.277 25489 6639 1 12 . 1 1 53 53 MET N N 53 116.735 116.735 119.960 -3.225 25489 6640 1 12 . 1 1 53 53 MET HA H 53 4.044 4.044 4.932 -0.888 25489 6641 1 12 . 1 1 53 53 MET H H 53 7.969 7.969 8.541 -0.572 25489 6642 1 12 . 1 1 54 54 LEU N N 54 122.602 122.602 126.899 -4.297 25489 6643 1 12 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.609 -0.903 25489 6644 1 12 . 1 1 54 54 LEU H H 54 7.926 7.926 8.594 -0.668 25489 6645 1 12 . 1 1 55 55 ASN N N 55 115.755 115.755 117.964 -2.209 25489 6646 1 12 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.895 -0.155 25489 6647 1 12 . 1 1 55 55 ASN H H 55 6.555 6.555 8.502 -1.947 25489 6648 1 12 . 1 1 56 56 SER N N 56 121.450 121.450 115.067 6.383 25489 6649 1 12 . 1 1 56 56 SER HA H 56 4.662 4.662 4.724 -0.062 25489 6650 1 12 . 1 1 56 56 SER H H 56 8.205 8.205 8.013 0.192 25489 6651 1 12 . 1 1 57 57 ARG N N 57 123.219 123.219 120.747 2.472 25489 6652 1 12 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.973 0.233 25489 6653 1 12 . 1 1 57 57 ARG H H 57 7.883 7.883 8.648 -0.765 25489 6654 1 12 . 1 1 58 58 VAL N N 58 118.843 118.843 116.752 2.091 25489 6655 1 12 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.316 -0.016 25489 6656 1 12 . 1 1 58 58 VAL H H 58 7.594 7.594 7.863 -0.269 25489 6657 1 12 . 1 1 59 59 ILE N N 59 119.212 119.212 117.607 1.605 25489 6658 1 12 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.028 -0.559 25489 6659 1 12 . 1 1 59 59 ILE H H 59 7.326 7.326 7.622 -0.296 25489 6660 1 12 . 1 1 60 60 GLU N N 60 119.544 119.544 121.241 -1.697 25489 6661 1 12 . 1 1 60 60 GLU H H 60 7.880 7.880 7.423 0.457 25489 6662 1 12 . 1 1 61 61 ILE N N 61 118.812 118.812 115.679 3.133 25489 6663 1 12 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.828 -0.386 25489 6664 1 12 . 1 1 61 61 ILE H H 61 7.217 7.217 7.418 -0.201 25489 6665 1 12 . 1 1 62 62 MET N N 62 120.202 120.202 115.879 4.323 25489 6666 1 12 . 1 1 62 62 MET HA H 62 3.419 3.419 4.119 -0.700 25489 6667 1 12 . 1 1 62 62 MET H H 62 7.820 7.820 7.037 0.783 25489 6668 1 12 . 1 1 63 63 GLN N N 63 116.274 116.274 116.721 -0.447 25489 6669 1 12 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.246 -0.005 25489 6670 1 12 . 1 1 63 63 GLN H H 63 7.442 7.442 7.378 0.064 25489 6671 1 12 . 1 1 64 64 LYS N N 64 121.450 121.450 120.255 1.195 25489 6672 1 12 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.389 0.110 25489 6673 1 12 . 1 1 64 64 LYS H H 64 7.474 7.474 7.821 -0.347 25489 6674 1 12 . 1 1 66 66 ARG N N 66 113.173 113.173 123.196 -10.023 25489 6675 1 12 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.552 -0.113 25489 6676 1 12 . 1 1 66 66 ARG H H 66 8.151 8.151 8.219 -0.068 25489 6677 1 12 . 1 1 67 67 CYS N N 67 121.794 121.794 123.791 -1.997 25489 6678 1 12 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.561 -0.141 25489 6679 1 12 . 1 1 67 67 CYS H H 67 7.709 7.709 9.094 -1.385 25489 6680 1 12 . 1 1 68 68 GLY N N 68 116.255 116.255 117.997 -1.742 25489 6681 1 12 . 1 1 68 68 GLY H H 68 9.707 9.707 8.992 0.715 25489 6682 1 12 . 1 1 69 69 VAL N N 69 126.541 126.541 115.440 11.101 25489 6683 1 12 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.741 -0.934 25489 6684 1 12 . 1 1 69 69 VAL H H 69 9.118 9.118 7.359 1.759 25489 6685 1 12 . 1 1 71 71 ASP N N 71 119.114 119.114 119.497 -0.383 25489 6686 1 12 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.572 -0.089 25489 6687 1 12 . 1 1 71 71 ASP H H 71 8.067 8.067 8.489 -0.422 25489 6688 1 12 . 1 1 72 72 VAL N N 72 112.988 112.988 115.760 -2.772 25489 6689 1 12 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.458 0.823 25489 6690 1 12 . 1 1 72 72 VAL H H 72 6.438 6.438 7.244 -0.806 25489 6691 1 12 . 1 1 73 73 ALA N N 73 125.902 125.902 127.141 -1.239 25489 6692 1 12 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.379 -0.112 25489 6693 1 12 . 1 1 73 73 ALA H H 73 8.171 8.171 6.464 1.707 25489 6694 1 12 . 1 1 74 74 GLU N N 74 120.835 120.835 124.178 -3.343 25489 6695 1 12 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.319 -0.236 25489 6696 1 12 . 1 1 74 74 GLU H H 74 8.385 8.385 8.512 -0.127 25489 6697 1 12 . 1 1 75 75 TYR N N 75 121.820 121.820 120.385 1.435 25489 6698 1 12 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.759 -0.365 25489 6699 1 12 . 1 1 75 75 TYR H H 75 8.102 8.102 7.572 0.530 25489 6700 1 12 . 1 1 76 76 SER N N 76 117.881 117.881 119.051 -1.170 25489 6701 1 12 . 1 1 76 76 SER H H 76 7.718 7.718 8.764 -1.046 25489 6702 1 12 . 1 1 77 77 LEU N N 77 123.835 123.835 122.838 0.997 25489 6703 1 12 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.117 -0.025 25489 6704 1 12 . 1 1 77 77 LEU H H 77 8.033 8.033 8.661 -0.628 25489 6705 1 12 . 1 1 78 78 PHE N N 78 118.893 118.893 124.121 -5.228 25489 6706 1 12 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.433 0.412 25489 6707 1 12 . 1 1 78 78 PHE H H 78 7.822 7.822 7.746 0.076 25489 6708 1 12 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.247 0.084 25489 6709 1 12 . 1 1 80 80 ASN N N 80 118.184 118.184 119.585 -1.401 25489 6710 1 12 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.708 -0.028 25489 6711 1 12 . 1 1 80 80 ASN H H 80 8.106 8.106 8.278 -0.172 25489 6712 1 12 . 1 1 81 81 SER HA H 81 4.636 4.636 4.663 -0.027 25489 6713 1 12 . 1 1 83 83 LYS N N 83 114.696 114.696 118.475 -3.779 25489 6714 1 12 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.516 -0.293 25489 6715 1 12 . 1 1 83 83 LYS H H 83 7.361 7.361 7.491 -0.130 25489 6716 1 12 . 1 1 84 84 TRP N N 84 122.459 122.459 122.753 -0.294 25489 6717 1 12 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.715 -0.712 25489 6718 1 12 . 1 1 84 84 TRP H H 84 8.020 8.020 8.413 -0.393 25489 6719 1 12 . 1 1 85 85 THR N N 85 113.482 113.482 121.460 -7.978 25489 6720 1 12 . 1 1 85 85 THR HA H 85 4.586 4.586 4.354 0.232 25489 6721 1 12 . 1 1 85 85 THR H H 85 8.833 8.833 7.879 0.954 25489 6722 1 12 . 1 1 86 86 SER N N 86 117.316 117.316 116.549 0.767 25489 6723 1 12 . 1 1 86 86 SER HA H 86 4.665 4.665 4.190 0.475 25489 6724 1 12 . 1 1 86 86 SER H H 86 7.724 7.724 6.949 0.775 25489 6725 1 12 . 1 1 87 87 LYS N N 87 120.411 120.411 123.029 -2.618 25489 6726 1 12 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.300 -0.161 25489 6727 1 12 . 1 1 87 87 LYS H H 87 8.312 8.312 8.705 -0.393 25489 6728 1 12 . 1 1 88 88 VAL N N 88 117.674 117.674 111.723 5.951 25489 6729 1 12 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.444 0.207 25489 6730 1 12 . 1 1 88 88 VAL H H 88 7.425 7.425 7.454 -0.029 25489 6731 1 12 . 1 1 89 89 VAL N N 89 131.493 131.493 124.956 6.537 25489 6732 1 12 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.791 -0.650 25489 6733 1 12 . 1 1 89 89 VAL H H 89 8.574 8.574 8.823 -0.249 25489 6734 1 12 . 1 1 90 90 THR N N 90 118.245 118.245 118.358 -0.113 25489 6735 1 12 . 1 1 90 90 THR HA H 90 5.627 5.627 5.098 0.529 25489 6736 1 12 . 1 1 90 90 THR H H 90 9.021 9.021 8.591 0.430 25489 6737 1 12 . 1 1 91 91 TYR N N 91 118.267 118.267 120.668 -2.401 25489 6738 1 12 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.631 0.043 25489 6739 1 12 . 1 1 91 91 TYR H H 91 8.555 8.555 8.696 -0.141 25489 6740 1 12 . 1 1 92 92 ARG N N 92 120.260 120.260 121.859 -1.599 25489 6741 1 12 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.711 -0.065 25489 6742 1 12 . 1 1 92 92 ARG H H 92 8.513 8.513 9.167 -0.654 25489 6743 1 12 . 1 1 93 93 ILE N N 93 128.361 128.361 125.825 2.536 25489 6744 1 12 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.442 0.177 25489 6745 1 12 . 1 1 93 93 ILE H H 93 8.878 8.878 8.986 -0.108 25489 6746 1 12 . 1 1 94 94 VAL N N 94 126.374 126.374 129.066 -2.692 25489 6747 1 12 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.033 -0.033 25489 6748 1 12 . 1 1 94 94 VAL H H 94 9.492 9.492 9.080 0.412 25489 6749 1 12 . 1 1 95 95 SER N N 95 113.303 113.303 113.282 0.021 25489 6750 1 12 . 1 1 95 95 SER HA H 95 4.705 4.705 4.933 -0.228 25489 6751 1 12 . 1 1 95 95 SER H H 95 7.431 7.431 7.518 -0.087 25489 6752 1 12 . 1 1 96 96 TYR N N 96 117.054 117.054 117.197 -0.143 25489 6753 1 12 . 1 1 96 96 TYR H H 96 8.255 8.255 8.250 0.005 25489 6754 1 12 . 1 1 98 98 ARG N N 98 128.445 128.445 126.032 2.413 25489 6755 1 12 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.436 -0.098 25489 6756 1 12 . 1 1 98 98 ARG H H 98 8.964 8.964 8.777 0.187 25489 6757 1 12 . 1 1 99 99 ASP N N 99 120.412 120.412 118.898 1.514 25489 6758 1 12 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.623 -0.288 25489 6759 1 12 . 1 1 99 99 ASP H H 99 8.695 8.695 8.022 0.673 25489 6760 1 12 . 1 1 100 100 LEU N N 100 116.851 116.851 121.204 -4.353 25489 6761 1 12 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.644 0.289 25489 6762 1 12 . 1 1 100 100 LEU H H 100 6.902 6.902 7.076 -0.174 25489 6763 1 12 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.149 0.018 25489 6764 1 12 . 1 1 103 103 ILE N N 103 115.469 115.469 113.340 2.129 25489 6765 1 12 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.859 0.314 25489 6766 1 12 . 1 1 103 103 ILE H H 103 8.296 8.296 8.282 0.014 25489 6767 1 12 . 1 1 104 104 THR N N 104 119.413 119.413 116.095 3.318 25489 6768 1 12 . 1 1 104 104 THR HA H 104 4.019 4.019 4.207 -0.188 25489 6769 1 12 . 1 1 104 104 THR H H 104 6.915 6.915 7.867 -0.952 25489 6770 1 12 . 1 1 105 105 VAL N N 105 123.232 123.232 119.960 3.272 25489 6771 1 12 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.891 -0.477 25489 6772 1 12 . 1 1 105 105 VAL H H 105 7.379 7.379 7.627 -0.248 25489 6773 1 12 . 1 1 106 106 ASP N N 106 120.160 120.160 120.580 -0.420 25489 6774 1 12 . 1 1 106 106 ASP H H 106 8.615 8.615 7.968 0.647 25489 6775 1 12 . 1 1 107 107 ARG N N 107 121.041 121.041 119.331 1.710 25489 6776 1 12 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.022 0.068 25489 6777 1 12 . 1 1 107 107 ARG H H 107 8.372 8.372 7.184 1.188 25489 6778 1 12 . 1 1 108 108 LEU N N 108 121.644 121.644 120.222 1.422 25489 6779 1 12 . 1 1 108 108 LEU HA H 108 4.253 4.253 3.862 0.391 25489 6780 1 12 . 1 1 108 108 LEU H H 108 8.768 8.768 8.175 0.593 25489 6781 1 12 . 1 1 109 109 VAL N N 109 120.347 120.347 118.980 1.367 25489 6782 1 12 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.291 0.080 25489 6783 1 12 . 1 1 109 109 VAL H H 109 8.762 8.762 8.007 0.755 25489 6784 1 12 . 1 1 110 110 SER N N 110 112.949 112.949 115.344 -2.395 25489 6785 1 12 . 1 1 110 110 SER HA H 110 4.270 4.270 3.811 0.459 25489 6786 1 12 . 1 1 110 110 SER H H 110 7.605 7.605 7.471 0.134 25489 6787 1 12 . 1 1 111 111 LYS N N 111 122.434 122.434 120.951 1.483 25489 6788 1 12 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.879 0.163 25489 6789 1 12 . 1 1 111 111 LYS H H 111 8.146 8.146 8.269 -0.123 25489 6790 1 12 . 1 1 112 112 ALA N N 112 124.099 124.099 121.425 2.674 25489 6791 1 12 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.644 0.433 25489 6792 1 12 . 1 1 112 112 ALA H H 112 8.270 8.270 7.536 0.734 25489 6793 1 12 . 1 1 113 113 LEU N N 113 116.251 116.251 117.917 -1.666 25489 6794 1 12 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.618 0.104 25489 6795 1 12 . 1 1 113 113 LEU H H 113 8.019 8.019 7.922 0.097 25489 6796 1 12 . 1 1 114 114 ASN N N 114 116.659 116.659 116.774 -0.115 25489 6797 1 12 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.549 -0.020 25489 6798 1 12 . 1 1 114 114 ASN H H 114 8.197 8.197 7.860 0.337 25489 6799 1 12 . 1 1 115 115 MET N N 115 122.118 122.118 120.231 1.887 25489 6800 1 12 . 1 1 115 115 MET HA H 115 4.013 4.013 4.055 -0.042 25489 6801 1 12 . 1 1 115 115 MET H H 115 7.918 7.918 7.248 0.670 25489 6802 1 12 . 1 1 116 116 TRP N N 116 117.117 117.117 117.671 -0.554 25489 6803 1 12 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.345 0.165 25489 6804 1 12 . 1 1 116 116 TRP H H 116 6.773 6.773 7.771 -0.998 25489 6805 1 12 . 1 1 117 117 GLY N N 117 104.656 104.656 106.598 -1.942 25489 6806 1 12 . 1 1 117 117 GLY H H 117 9.305 9.305 7.577 1.728 25489 6807 1 12 . 1 1 118 118 LYS N N 118 118.567 118.567 119.708 -1.141 25489 6808 1 12 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.194 -0.017 25489 6809 1 12 . 1 1 118 118 LYS H H 118 7.947 7.947 7.653 0.294 25489 6810 1 12 . 1 1 119 119 GLU N N 119 113.899 113.899 117.409 -3.510 25489 6811 1 12 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.326 0.482 25489 6812 1 12 . 1 1 119 119 GLU H H 119 7.773 7.773 7.897 -0.124 25489 6813 1 12 . 1 1 120 120 ILE N N 120 111.215 111.215 119.049 -7.834 25489 6814 1 12 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.625 0.696 25489 6815 1 12 . 1 1 120 120 ILE H H 120 7.528 7.528 7.554 -0.026 25489 6816 1 12 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.464 0.157 25489 6817 1 12 . 1 1 122 122 LEU N N 122 121.481 121.481 118.563 2.918 25489 6818 1 12 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.444 -0.152 25489 6819 1 12 . 1 1 122 122 LEU H H 122 6.815 6.815 7.583 -0.768 25489 6820 1 12 . 1 1 123 123 HIS N N 123 120.769 120.769 122.507 -1.738 25489 6821 1 12 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.759 -0.167 25489 6822 1 12 . 1 1 123 123 HIS H H 123 7.709 7.709 8.482 -0.773 25489 6823 1 12 . 1 1 124 124 PHE N N 124 120.530 120.530 118.376 2.154 25489 6824 1 12 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.221 0.591 25489 6825 1 12 . 1 1 124 124 PHE H H 124 8.306 8.306 7.340 0.966 25489 6826 1 12 . 1 1 125 125 ARG N N 125 123.891 123.891 123.622 0.269 25489 6827 1 12 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.801 -0.148 25489 6828 1 12 . 1 1 125 125 ARG H H 125 8.408 8.408 8.859 -0.451 25489 6829 1 12 . 1 1 126 126 LYS N N 126 130.178 130.178 126.082 4.096 25489 6830 1 12 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.650 -0.289 25489 6831 1 12 . 1 1 126 126 LYS H H 126 8.468 8.468 8.539 -0.071 25489 6832 1 12 . 1 1 127 127 VAL N N 127 125.180 125.180 125.033 0.147 25489 6833 1 12 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.380 0.128 25489 6834 1 12 . 1 1 127 127 VAL H H 127 8.679 8.679 7.786 0.893 25489 6835 1 12 . 1 1 128 128 VAL N N 128 117.584 117.584 119.260 -1.676 25489 6836 1 12 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.504 -0.218 25489 6837 1 12 . 1 1 128 128 VAL H H 128 8.469 8.469 8.346 0.123 25489 6838 1 12 . 1 1 129 129 TRP N N 129 119.805 119.805 120.516 -0.711 25489 6839 1 12 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.756 -0.070 25489 6840 1 12 . 1 1 129 129 TRP H H 129 7.447 7.447 7.644 -0.197 25489 6841 1 12 . 1 1 130 130 GLY N N 130 109.844 109.844 112.676 -2.832 25489 6842 1 12 . 1 1 130 130 GLY H H 130 8.072 8.072 7.758 0.314 25489 6843 1 12 . 1 1 131 131 THR N N 131 116.125 116.125 112.399 3.726 25489 6844 1 12 . 1 1 131 131 THR HA H 131 4.123 4.123 4.089 0.034 25489 6845 1 12 . 1 1 131 131 THR H H 131 8.196 8.196 8.088 0.108 25489 6846 1 12 . 1 1 132 132 ALA N N 132 129.613 129.613 131.133 -1.520 25489 6847 1 12 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.456 0.055 25489 6848 1 12 . 1 1 132 132 ALA H H 132 7.919 7.919 8.221 -0.302 25489 6849 1 12 . 1 1 133 133 ASP N N 133 123.004 123.004 123.648 -0.644 25489 6850 1 12 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.606 -0.164 25489 6851 1 12 . 1 1 133 133 ASP H H 133 8.248 8.248 8.478 -0.230 25489 6852 1 12 . 1 1 134 134 ILE N N 134 125.478 125.478 121.935 3.543 25489 6853 1 12 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.413 -0.320 25489 6854 1 12 . 1 1 134 134 ILE H H 134 8.804 8.804 8.435 0.369 25489 6855 1 12 . 1 1 135 135 MET N N 135 127.471 127.471 127.950 -0.479 25489 6856 1 12 . 1 1 135 135 MET HA H 135 5.194 5.194 5.125 0.069 25489 6857 1 12 . 1 1 135 135 MET H H 135 7.437 7.437 8.862 -1.425 25489 6858 1 12 . 1 1 136 136 ILE N N 136 125.040 125.040 124.567 0.473 25489 6859 1 12 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.883 0.694 25489 6860 1 12 . 1 1 136 136 ILE H H 136 9.085 9.085 8.523 0.562 25489 6861 1 12 . 1 1 137 137 GLY N N 137 112.059 112.059 113.913 -1.854 25489 6862 1 12 . 1 1 137 137 GLY H H 137 8.568 8.568 8.030 0.537 25489 6863 1 12 . 1 1 138 138 PHE N N 138 119.447 119.447 119.838 -0.391 25489 6864 1 12 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.490 -0.036 25489 6865 1 12 . 1 1 138 138 PHE H H 138 7.861 7.861 8.369 -0.508 25489 6866 1 12 . 1 1 139 139 ALA N N 139 123.657 123.657 126.857 -3.200 25489 6867 1 12 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.627 0.108 25489 6868 1 12 . 1 1 139 139 ALA H H 139 8.939 8.939 8.848 0.091 25489 6869 1 12 . 1 1 140 140 ARG N N 140 118.688 118.688 121.266 -2.578 25489 6870 1 12 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.531 0.543 25489 6871 1 12 . 1 1 140 140 ARG H H 140 8.563 8.563 8.433 0.130 25489 6872 1 12 . 1 1 141 141 GLY N N 141 108.964 108.964 108.084 0.880 25489 6873 1 12 . 1 1 141 141 GLY H H 141 9.018 9.018 8.172 0.846 25489 6874 1 12 . 1 1 143 143 HIS N N 143 120.218 120.218 114.171 6.047 25489 6875 1 12 . 1 1 143 143 HIS H H 143 8.998 8.998 7.859 1.139 25489 6876 1 12 . 1 1 145 145 ASP N N 145 117.684 117.684 119.327 -1.643 25489 6877 1 12 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.405 0.295 25489 6878 1 12 . 1 1 145 145 ASP H H 145 7.088 7.088 8.463 -1.375 25489 6879 1 12 . 1 1 146 146 SER HA H 146 4.140 4.140 4.322 -0.182 25489 6880 1 12 . 1 1 146 146 SER H H 146 8.220 8.220 7.199 1.021 25489 6881 1 12 . 1 1 147 147 TYR N N 147 120.867 120.867 127.658 -6.791 25489 6882 1 12 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.195 0.593 25489 6883 1 12 . 1 1 147 147 TYR H H 147 7.459 7.459 8.812 -1.353 25489 6884 1 12 . 1 1 149 149 PHE N N 149 120.630 120.630 120.154 0.476 25489 6885 1 12 . 1 1 149 149 PHE H H 149 8.018 8.018 8.620 -0.602 25489 6886 1 12 . 1 1 150 150 ASP N N 150 115.626 115.626 113.340 2.286 25489 6887 1 12 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.516 0.327 25489 6888 1 12 . 1 1 150 150 ASP H H 150 7.543 7.543 7.800 -0.257 25489 6889 1 12 . 1 1 151 151 GLY N N 151 110.700 110.700 106.514 4.186 25489 6890 1 12 . 1 1 151 151 GLY H H 151 9.074 9.074 8.374 0.700 25489 6891 1 12 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.630 -0.604 25489 6892 1 12 . 1 1 153 153 GLY N N 153 118.786 118.786 116.395 2.391 25489 6893 1 12 . 1 1 153 153 GLY H H 153 11.385 11.385 8.127 3.258 25489 6894 1 12 . 1 1 154 154 ASN N N 154 120.613 120.613 125.111 -4.498 25489 6895 1 12 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.296 -0.098 25489 6896 1 12 . 1 1 154 154 ASN H H 154 9.225 9.225 8.541 0.684 25489 6897 1 12 . 1 1 155 155 THR N N 155 118.700 118.700 116.278 2.422 25489 6898 1 12 . 1 1 155 155 THR HA H 155 5.542 5.542 4.114 1.428 25489 6899 1 12 . 1 1 155 155 THR H H 155 9.519 9.519 8.818 0.701 25489 6900 1 12 . 1 1 156 156 LEU N N 156 122.765 122.765 124.624 -1.859 25489 6901 1 12 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.645 0.297 25489 6902 1 12 . 1 1 156 156 LEU H H 156 8.500 8.500 9.122 -0.622 25489 6903 1 12 . 1 1 157 157 ALA N N 157 115.545 115.545 117.777 -2.232 25489 6904 1 12 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.723 0.284 25489 6905 1 12 . 1 1 157 157 ALA H H 157 7.545 7.545 7.538 0.007 25489 6906 1 12 . 1 1 158 158 HIS N N 158 111.868 111.868 114.996 -3.128 25489 6907 1 12 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.095 -0.478 25489 6908 1 12 . 1 1 158 158 HIS H H 158 8.774 8.774 8.466 0.308 25489 6909 1 12 . 1 1 159 159 ALA N N 159 118.565 118.565 120.276 -1.711 25489 6910 1 12 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.629 0.028 25489 6911 1 12 . 1 1 159 159 ALA H H 159 6.114 6.114 8.099 -1.985 25489 6912 1 12 . 1 1 160 160 PHE N N 160 118.042 118.042 120.167 -2.125 25489 6913 1 12 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.623 -0.142 25489 6914 1 12 . 1 1 160 160 PHE H H 160 7.897 7.897 8.520 -0.623 25489 6915 1 12 . 1 1 161 161 ALA N N 161 123.548 123.548 123.990 -0.442 25489 6916 1 12 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.425 0.058 25489 6917 1 12 . 1 1 161 161 ALA H H 161 8.089 8.089 8.390 -0.301 25489 6918 1 12 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.445 -1.574 25489 6919 1 12 . 1 1 163 163 GLY N N 163 107.255 107.255 110.459 -3.204 25489 6920 1 12 . 1 1 163 163 GLY H H 163 5.992 5.992 7.919 -1.927 25489 6921 1 12 . 1 1 165 165 GLY H H 165 9.149 9.149 8.009 1.140 25489 6922 1 12 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.183 -0.030 25489 6923 1 12 . 1 1 167 167 GLY N N 167 103.338 103.338 103.738 -0.400 25489 6924 1 12 . 1 1 167 167 GLY H H 167 7.774 7.774 7.253 0.521 25489 6925 1 12 . 1 1 168 168 GLY N N 168 121.031 121.031 108.762 12.269 25489 6926 1 12 . 1 1 168 168 GLY H H 168 7.685 7.685 8.053 -0.368 25489 6927 1 12 . 1 1 169 169 ASP N N 169 123.703 123.703 123.673 0.030 25489 6928 1 12 . 1 1 169 169 ASP H H 169 8.578 8.578 7.877 0.701 25489 6929 1 12 . 1 1 170 170 ALA N N 170 119.569 119.569 123.298 -3.729 25489 6930 1 12 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.469 0.235 25489 6931 1 12 . 1 1 170 170 ALA H H 170 8.371 8.371 8.029 0.342 25489 6932 1 12 . 1 1 171 171 HIS N N 171 120.286 120.286 121.690 -1.404 25489 6933 1 12 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.869 0.861 25489 6934 1 12 . 1 1 171 171 HIS H H 171 8.513 8.513 7.976 0.537 25489 6935 1 12 . 1 1 172 172 PHE N N 172 120.919 120.919 124.666 -3.747 25489 6936 1 12 . 1 1 172 172 PHE H H 172 8.457 8.457 8.787 -0.330 25489 6937 1 12 . 1 1 173 173 ASP N N 173 123.993 123.993 121.465 2.528 25489 6938 1 12 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.917 -1.021 25489 6939 1 12 . 1 1 173 173 ASP H H 173 7.915 7.915 8.774 -0.859 25489 6940 1 12 . 1 1 174 174 GLU N N 174 132.684 132.684 122.571 10.113 25489 6941 1 12 . 1 1 174 174 GLU H H 174 9.461 9.461 8.933 0.528 25489 6942 1 12 . 1 1 175 175 ASP N N 175 117.313 117.313 116.357 0.956 25489 6943 1 12 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.597 0.200 25489 6944 1 12 . 1 1 175 175 ASP H H 175 8.756 8.756 8.564 0.192 25489 6945 1 12 . 1 1 176 176 GLU N N 176 116.511 116.511 119.682 -3.171 25489 6946 1 12 . 1 1 176 176 GLU H H 176 7.154 7.154 7.623 -0.469 25489 6947 1 12 . 1 1 177 177 ARG N N 177 121.920 121.920 124.698 -2.778 25489 6948 1 12 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.624 0.001 25489 6949 1 12 . 1 1 177 177 ARG H H 177 7.555 7.555 8.031 -0.476 25489 6950 1 12 . 1 1 178 178 TRP N N 178 129.182 129.182 127.740 1.442 25489 6951 1 12 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.380 -0.267 25489 6952 1 12 . 1 1 178 178 TRP H H 178 8.788 8.788 9.036 -0.248 25489 6953 1 12 . 1 1 179 179 THR N N 179 112.874 112.874 113.188 -0.314 25489 6954 1 12 . 1 1 179 179 THR HA H 179 5.015 5.015 4.663 0.352 25489 6955 1 12 . 1 1 179 179 THR H H 179 8.946 8.946 8.487 0.459 25489 6956 1 12 . 1 1 180 180 ASP N N 180 121.969 121.969 125.208 -3.239 25489 6957 1 12 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.864 -0.442 25489 6958 1 12 . 1 1 180 180 ASP H H 180 8.478 8.478 8.626 -0.148 25489 6959 1 12 . 1 1 181 181 GLY N N 181 110.059 110.059 107.513 2.546 25489 6960 1 12 . 1 1 181 181 GLY H H 181 8.572 8.572 8.130 0.442 25489 6961 1 12 . 1 1 182 182 SER N N 182 115.564 115.564 115.797 -0.233 25489 6962 1 12 . 1 1 182 182 SER HA H 182 4.599 4.599 4.510 0.089 25489 6963 1 12 . 1 1 182 182 SER H H 182 8.173 8.173 7.774 0.399 25489 6964 1 12 . 1 1 183 183 SER N N 183 117.066 117.066 113.994 3.072 25489 6965 1 12 . 1 1 183 183 SER H H 183 7.819 7.819 8.643 -0.824 25489 6966 1 12 . 1 1 184 184 LEU N N 184 121.954 121.954 122.317 -0.363 25489 6967 1 12 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.328 0.034 25489 6968 1 12 . 1 1 184 184 LEU H H 184 8.104 8.104 7.916 0.188 25489 6969 1 12 . 1 1 185 185 GLY N N 185 108.989 108.989 106.088 2.901 25489 6970 1 12 . 1 1 185 185 GLY H H 185 7.954 7.954 7.371 0.583 25489 6971 1 12 . 1 1 186 186 ILE N N 186 123.084 123.084 121.033 2.051 25489 6972 1 12 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.872 -0.093 25489 6973 1 12 . 1 1 186 186 ILE H H 186 8.878 8.878 8.488 0.390 25489 6974 1 12 . 1 1 187 187 ASN N N 187 126.999 126.999 124.920 2.079 25489 6975 1 12 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.716 -0.320 25489 6976 1 12 . 1 1 187 187 ASN H H 187 8.575 8.575 7.661 0.914 25489 6977 1 12 . 1 1 188 188 PHE N N 188 129.819 129.819 128.723 1.096 25489 6978 1 12 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.490 0.101 25489 6979 1 12 . 1 1 188 188 PHE H H 188 9.365 9.365 8.847 0.518 25489 6980 1 12 . 1 1 189 189 LEU N N 189 119.292 119.292 120.960 -1.668 25489 6981 1 12 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.413 0.420 25489 6982 1 12 . 1 1 189 189 LEU H H 189 8.551 8.551 8.398 0.153 25489 6983 1 12 . 1 1 191 191 ALA N N 191 120.347 120.347 120.993 -0.646 25489 6984 1 12 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.302 -0.005 25489 6985 1 12 . 1 1 191 191 ALA H H 191 7.973 7.973 7.769 0.204 25489 6986 1 12 . 1 1 192 192 ALA N N 192 121.365 121.365 120.927 0.438 25489 6987 1 12 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.176 -0.159 25489 6988 1 12 . 1 1 192 192 ALA H H 192 9.258 9.258 8.422 0.836 25489 6989 1 12 . 1 1 193 193 THR N N 193 117.027 117.027 113.037 3.990 25489 6990 1 12 . 1 1 193 193 THR HA H 193 3.825 3.825 3.772 0.053 25489 6991 1 12 . 1 1 193 193 THR H H 193 8.209 8.209 8.196 0.013 25489 6992 1 12 . 1 1 194 194 HIS N N 194 120.231 120.231 122.737 -2.506 25489 6993 1 12 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.257 -0.024 25489 6994 1 12 . 1 1 194 194 HIS H H 194 7.805 7.805 7.881 -0.076 25489 6995 1 12 . 1 1 195 195 ALA N N 195 121.346 121.346 119.807 1.539 25489 6996 1 12 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.433 -0.253 25489 6997 1 12 . 1 1 195 195 ALA H H 195 8.693 8.693 7.988 0.705 25489 6998 1 12 . 1 1 196 196 LEU N N 196 114.951 114.951 117.350 -2.399 25489 6999 1 12 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.161 -0.003 25489 7000 1 12 . 1 1 196 196 LEU H H 196 8.714 8.714 8.322 0.392 25489 7001 1 12 . 1 1 197 197 GLY N N 197 107.954 107.954 106.365 1.589 25489 7002 1 12 . 1 1 197 197 GLY H H 197 7.540 7.540 7.459 0.081 25489 7003 1 12 . 1 1 198 198 HIS N N 198 121.996 121.996 119.937 2.059 25489 7004 1 12 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.578 0.231 25489 7005 1 12 . 1 1 198 198 HIS H H 198 7.205 7.205 7.001 0.204 25489 7006 1 12 . 1 1 199 199 SER N N 199 118.570 118.570 114.851 3.719 25489 7007 1 12 . 1 1 199 199 SER HA H 199 4.448 4.448 4.272 0.176 25489 7008 1 12 . 1 1 199 199 SER H H 199 7.886 7.886 8.021 -0.135 25489 7009 1 12 . 1 1 200 200 LEU N N 200 114.779 114.779 119.334 -4.555 25489 7010 1 12 . 1 1 200 200 LEU H H 200 7.106 7.106 7.444 -0.338 25489 7011 1 12 . 1 1 201 201 GLY N N 201 108.350 108.350 103.222 5.128 25489 7012 1 12 . 1 1 201 201 GLY H H 201 8.213 8.213 7.785 0.428 25489 7013 1 12 . 1 1 202 202 MET N N 202 119.623 119.623 119.622 0.001 25489 7014 1 12 . 1 1 202 202 MET HA H 202 4.484 4.484 4.359 0.125 25489 7015 1 12 . 1 1 202 202 MET H H 202 8.189 8.189 8.051 0.138 25489 7016 1 12 . 1 1 203 203 GLY N N 203 109.770 109.770 107.079 2.691 25489 7017 1 12 . 1 1 203 203 GLY H H 203 8.413 8.413 8.092 0.321 25489 7018 1 12 . 1 1 204 204 HIS N N 204 115.793 115.793 118.048 -2.255 25489 7019 1 12 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.976 0.398 25489 7020 1 12 . 1 1 204 204 HIS H H 204 8.383 8.383 8.105 0.278 25489 7021 1 12 . 1 1 205 205 SER N N 205 115.497 115.497 116.715 -1.218 25489 7022 1 12 . 1 1 205 205 SER HA H 205 4.721 4.721 4.836 -0.115 25489 7023 1 12 . 1 1 205 205 SER H H 205 7.223 7.223 8.638 -1.415 25489 7024 1 12 . 1 1 206 206 SER N N 206 119.268 119.268 114.284 4.984 25489 7025 1 12 . 1 1 206 206 SER HA H 206 3.721 3.721 4.489 -0.768 25489 7026 1 12 . 1 1 206 206 SER H H 206 8.290 8.290 8.584 -0.294 25489 7027 1 12 . 1 1 207 207 ASP N N 207 126.656 126.656 121.226 5.430 25489 7028 1 12 . 1 1 207 207 ASP H H 207 8.541 8.541 7.899 0.642 25489 7029 1 12 . 1 1 209 209 ASN N N 209 115.911 115.911 115.981 -0.070 25489 7030 1 12 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.914 -0.298 25489 7031 1 12 . 1 1 209 209 ASN H H 209 8.374 8.374 8.084 0.290 25489 7032 1 12 . 1 1 210 210 ALA N N 210 124.929 124.929 122.591 2.338 25489 7033 1 12 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.557 -0.403 25489 7034 1 12 . 1 1 210 210 ALA H H 210 8.182 8.182 7.253 0.929 25489 7035 1 12 . 1 1 211 211 VAL N N 211 130.383 130.383 126.427 3.956 25489 7036 1 12 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.621 0.629 25489 7037 1 12 . 1 1 211 211 VAL H H 211 11.554 11.554 8.425 3.129 25489 7038 1 12 . 1 1 212 212 MET N N 212 113.319 113.319 114.581 -1.262 25489 7039 1 12 . 1 1 212 212 MET H H 212 7.741 7.741 8.141 -0.400 25489 7040 1 12 . 1 1 213 213 TYR N N 213 130.006 130.006 122.221 7.785 25489 7041 1 12 . 1 1 213 213 TYR H H 213 7.899 7.899 7.755 0.144 25489 7042 1 12 . 1 1 215 215 THR N N 215 104.747 104.747 111.394 -6.647 25489 7043 1 12 . 1 1 215 215 THR HA H 215 4.404 4.404 4.437 -0.033 25489 7044 1 12 . 1 1 215 215 THR H H 215 6.402 6.402 7.603 -1.201 25489 7045 1 12 . 1 1 216 216 TYR N N 216 124.699 124.699 125.892 -1.193 25489 7046 1 12 . 1 1 216 216 TYR H H 216 8.341 8.341 8.475 -0.134 25489 7047 1 12 . 1 1 217 217 GLY N N 217 116.288 116.288 113.120 3.168 25489 7048 1 12 . 1 1 217 217 GLY H H 217 7.685 7.685 7.833 -0.148 25489 7049 1 12 . 1 1 218 218 ASN N N 218 119.920 119.920 117.131 2.789 25489 7050 1 12 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.297 0.323 25489 7051 1 12 . 1 1 218 218 ASN H H 218 8.221 8.221 8.449 -0.228 25489 7052 1 12 . 1 1 219 219 GLY N N 219 109.601 109.601 108.399 1.202 25489 7053 1 12 . 1 1 219 219 GLY H H 219 8.072 8.072 7.624 0.448 25489 7054 1 12 . 1 1 220 220 ASP N N 220 123.006 123.006 121.680 1.326 25489 7055 1 12 . 1 1 220 220 ASP H H 220 8.280 8.280 8.323 -0.043 25489 7056 1 12 . 1 1 222 222 GLN N N 222 116.642 116.642 124.642 -8.000 25489 7057 1 12 . 1 1 222 222 GLN H H 222 8.215 8.215 8.694 -0.479 25489 7058 1 12 . 1 1 223 223 ASN N N 223 118.361 118.361 113.710 4.651 25489 7059 1 12 . 1 1 223 223 ASN H H 223 7.970 7.970 7.901 0.069 25489 7060 1 12 . 1 1 225 225 LYS N N 225 122.215 122.215 125.542 -3.327 25489 7061 1 12 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.684 -0.268 25489 7062 1 12 . 1 1 225 225 LYS H H 225 7.656 7.656 7.671 -0.015 25489 7063 1 12 . 1 1 226 226 LEU N N 226 119.165 119.165 122.052 -2.887 25489 7064 1 12 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.557 -0.469 25489 7065 1 12 . 1 1 226 226 LEU H H 226 7.984 7.984 8.494 -0.510 25489 7066 1 12 . 1 1 227 227 SER N N 227 120.520 120.520 117.356 3.164 25489 7067 1 12 . 1 1 227 227 SER HA H 227 4.676 4.676 4.726 -0.050 25489 7068 1 12 . 1 1 227 227 SER H H 227 9.646 9.646 9.509 0.137 25489 7069 1 12 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.128 0.546 25489 7070 1 12 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.558 -0.184 25489 7071 1 12 . 1 1 229 229 ASP H H 229 8.113 8.113 8.713 -0.600 25489 7072 1 12 . 1 1 230 230 ASP N N 230 119.878 119.878 121.609 -1.731 25489 7073 1 12 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.503 -0.165 25489 7074 1 12 . 1 1 230 230 ASP H H 230 7.397 7.397 8.097 -0.700 25489 7075 1 12 . 1 1 231 231 ILE N N 231 120.389 120.389 120.862 -0.473 25489 7076 1 12 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.792 -0.137 25489 7077 1 12 . 1 1 231 231 ILE H H 231 8.100 8.100 7.547 0.553 25489 7078 1 12 . 1 1 232 232 LYS N N 232 119.084 119.084 118.495 0.589 25489 7079 1 12 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.974 0.121 25489 7080 1 12 . 1 1 232 232 LYS H H 232 8.581 8.581 7.842 0.739 25489 7081 1 12 . 1 1 233 233 GLY N N 233 106.424 106.424 105.064 1.360 25489 7082 1 12 . 1 1 233 233 GLY H H 233 8.061 8.061 7.507 0.554 25489 7083 1 12 . 1 1 234 234 ILE N N 234 125.166 125.166 123.595 1.571 25489 7084 1 12 . 1 1 234 234 ILE H H 234 8.517 8.517 7.731 0.786 25489 7085 1 12 . 1 1 235 235 GLN N N 235 122.969 122.969 118.787 4.182 25489 7086 1 12 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.199 0.182 25489 7087 1 12 . 1 1 235 235 GLN H H 235 8.291 8.291 8.776 -0.485 25489 7088 1 12 . 1 1 236 236 LYS N N 236 123.770 123.770 118.246 5.524 25489 7089 1 12 . 1 1 236 236 LYS H H 236 8.035 8.035 8.077 -0.042 25489 7090 1 12 . 1 1 237 237 LEU N N 237 116.854 116.854 119.112 -2.258 25489 7091 1 12 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.224 -0.265 25489 7092 1 12 . 1 1 237 237 LEU H H 237 6.886 6.886 7.633 -0.747 25489 7093 1 12 . 1 1 238 238 TYR N N 238 112.132 112.132 116.240 -4.108 25489 7094 1 12 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.504 0.122 25489 7095 1 12 . 1 1 238 238 TYR H H 238 7.459 7.459 7.542 -0.083 25489 7096 1 12 . 1 1 239 239 GLY N N 239 110.898 110.898 107.434 3.464 25489 7097 1 12 . 1 1 239 239 GLY H H 239 8.442 8.442 7.735 0.707 25489 7098 1 12 . 1 1 240 240 LYS N N 240 114.400 114.400 120.603 -6.203 25489 7099 1 12 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.389 0.415 25489 7100 1 12 . 1 1 240 240 LYS H H 240 7.865 7.865 8.438 -0.573 25489 7101 1 12 . 1 1 241 241 ARG N N 241 123.851 123.851 122.695 1.156 25489 7102 1 12 . 1 1 241 241 ARG H H 241 7.760 7.760 8.553 -0.793 25489 7103 1 12 . 1 1 242 242 SER N N 242 135.647 135.647 118.325 17.322 25489 7104 1 12 . 1 1 242 242 SER H H 242 9.158 9.158 8.523 0.635 25489 7105 1 13 . 1 1 3 3 GLU N N 3 121.690 121.690 125.230 -3.540 25489 7106 1 13 . 1 1 3 3 GLU H H 3 8.332 8.332 8.987 -0.655 25489 7107 1 13 . 1 1 4 4 ALA N N 4 124.526 124.526 119.754 4.772 25489 7108 1 13 . 1 1 4 4 ALA H H 4 8.111 8.111 8.298 -0.187 25489 7109 1 13 . 1 1 5 5 GLY N N 5 108.229 108.229 105.755 2.474 25489 7110 1 13 . 1 1 5 5 GLY H H 5 8.286 8.286 7.390 0.896 25489 7111 1 13 . 1 1 6 6 GLY N N 6 108.867 108.867 108.324 0.543 25489 7112 1 13 . 1 1 6 6 GLY H H 6 8.239 8.239 7.623 0.616 25489 7113 1 13 . 1 1 7 7 MET N N 7 119.984 119.984 120.107 -0.123 25489 7114 1 13 . 1 1 7 7 MET H H 7 8.044 8.044 7.455 0.589 25489 7115 1 13 . 1 1 8 8 SER N N 8 118.771 118.771 116.765 2.006 25489 7116 1 13 . 1 1 8 8 SER HA H 8 4.239 4.239 4.521 -0.282 25489 7117 1 13 . 1 1 8 8 SER H H 8 8.738 8.738 8.782 -0.044 25489 7118 1 13 . 1 1 9 9 GLU N N 9 122.551 122.551 127.971 -5.420 25489 7119 1 13 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.148 0.104 25489 7120 1 13 . 1 1 9 9 GLU H H 9 8.919 8.919 9.066 -0.147 25489 7121 1 13 . 1 1 10 10 LEU N N 10 120.638 120.638 119.798 0.840 25489 7122 1 13 . 1 1 10 10 LEU H H 10 8.017 8.017 7.719 0.298 25489 7123 1 13 . 1 1 11 11 GLN N N 11 119.889 119.889 119.293 0.596 25489 7124 1 13 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.088 0.046 25489 7125 1 13 . 1 1 11 11 GLN H H 11 7.807 7.807 7.794 0.013 25489 7126 1 13 . 1 1 12 12 TRP N N 12 120.951 120.951 122.656 -1.705 25489 7127 1 13 . 1 1 12 12 TRP H H 12 8.202 8.202 8.809 -0.607 25489 7128 1 13 . 1 1 13 13 GLU N N 13 121.870 121.870 118.517 3.353 25489 7129 1 13 . 1 1 13 13 GLU H H 13 8.436 8.436 8.233 0.203 25489 7130 1 13 . 1 1 14 14 GLN N N 14 120.646 120.646 117.856 2.790 25489 7131 1 13 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.917 0.252 25489 7132 1 13 . 1 1 14 14 GLN H H 14 8.159 8.159 7.927 0.232 25489 7133 1 13 . 1 1 15 15 ALA N N 15 123.216 123.216 123.321 -0.105 25489 7134 1 13 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.767 0.571 25489 7135 1 13 . 1 1 15 15 ALA H H 15 8.355 8.355 8.463 -0.108 25489 7136 1 13 . 1 1 16 16 GLN N N 16 117.766 117.766 117.211 0.555 25489 7137 1 13 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.858 -0.153 25489 7138 1 13 . 1 1 16 16 GLN H H 16 8.440 8.440 8.116 0.324 25489 7139 1 13 . 1 1 17 17 ASP N N 17 120.090 120.090 120.606 -0.516 25489 7140 1 13 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.322 0.141 25489 7141 1 13 . 1 1 17 17 ASP H H 17 7.899 7.899 7.483 0.416 25489 7142 1 13 . 1 1 18 18 TYR N N 18 122.296 122.296 118.636 3.660 25489 7143 1 13 . 1 1 18 18 TYR H H 18 8.264 8.264 7.639 0.625 25489 7144 1 13 . 1 1 19 19 LEU N N 19 117.675 117.675 121.164 -3.489 25489 7145 1 13 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.130 -0.005 25489 7146 1 13 . 1 1 19 19 LEU H H 19 8.687 8.687 7.810 0.877 25489 7147 1 13 . 1 1 20 20 LYS N N 20 124.620 124.620 117.745 6.875 25489 7148 1 13 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.099 0.044 25489 7149 1 13 . 1 1 20 20 LYS H H 20 8.790 8.790 8.482 0.308 25489 7150 1 13 . 1 1 21 21 ARG N N 21 117.608 117.608 118.252 -0.644 25489 7151 1 13 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.238 -0.541 25489 7152 1 13 . 1 1 21 21 ARG H H 21 7.835 7.835 7.524 0.311 25489 7153 1 13 . 1 1 22 22 PHE N N 22 112.136 112.136 118.940 -6.804 25489 7154 1 13 . 1 1 22 22 PHE H H 22 8.003 8.003 7.933 0.070 25489 7155 1 13 . 1 1 23 23 TYR N N 23 116.244 116.244 115.407 0.837 25489 7156 1 13 . 1 1 23 23 TYR H H 23 7.678 7.678 8.219 -0.541 25489 7157 1 13 . 1 1 24 24 LEU N N 24 115.582 115.582 114.946 0.636 25489 7158 1 13 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.514 -0.379 25489 7159 1 13 . 1 1 24 24 LEU H H 24 7.238 7.238 7.640 -0.402 25489 7160 1 13 . 1 1 25 25 TYR N N 25 119.996 119.996 126.618 -6.622 25489 7161 1 13 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.540 -0.135 25489 7162 1 13 . 1 1 25 25 TYR H H 25 7.826 7.826 8.527 -0.701 25489 7163 1 13 . 1 1 26 26 ASP N N 26 129.292 129.292 128.452 0.840 25489 7164 1 13 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.647 -0.186 25489 7165 1 13 . 1 1 26 26 ASP H H 26 8.121 8.121 8.166 -0.045 25489 7166 1 13 . 1 1 28 28 GLU N N 28 122.115 122.115 120.738 1.377 25489 7167 1 13 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.179 0.102 25489 7168 1 13 . 1 1 28 28 GLU H H 28 8.262 8.262 7.845 0.417 25489 7169 1 13 . 1 1 29 29 THR N N 29 114.171 114.171 112.971 1.200 25489 7170 1 13 . 1 1 29 29 THR HA H 29 4.222 4.222 4.210 0.012 25489 7171 1 13 . 1 1 29 29 THR H H 29 7.496 7.496 7.954 -0.458 25489 7172 1 13 . 1 1 30 30 LYS N N 30 123.019 123.019 123.423 -0.404 25489 7173 1 13 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.007 0.211 25489 7174 1 13 . 1 1 30 30 LYS H H 30 8.154 8.154 7.560 0.594 25489 7175 1 13 . 1 1 32 32 ALA N N 32 126.481 126.481 121.685 4.796 25489 7176 1 13 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.004 0.246 25489 7177 1 13 . 1 1 32 32 ALA H H 32 8.424 8.424 8.714 -0.290 25489 7178 1 13 . 1 1 33 33 ASN N N 33 116.834 116.834 116.084 0.750 25489 7179 1 13 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.625 0.073 25489 7180 1 13 . 1 1 33 33 ASN H H 33 8.312 8.312 8.346 -0.034 25489 7181 1 13 . 1 1 34 34 SER N N 34 116.960 116.960 117.174 -0.214 25489 7182 1 13 . 1 1 34 34 SER HA H 34 4.522 4.522 4.388 0.134 25489 7183 1 13 . 1 1 34 34 SER H H 34 8.112 8.112 8.986 -0.874 25489 7184 1 13 . 1 1 35 35 LEU N N 35 125.335 125.335 123.241 2.094 25489 7185 1 13 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.922 -0.371 25489 7186 1 13 . 1 1 35 35 LEU H H 35 8.324 8.324 8.610 -0.286 25489 7187 1 13 . 1 1 36 36 GLU N N 36 119.302 119.302 119.312 -0.010 25489 7188 1 13 . 1 1 36 36 GLU HA H 36 3.943 3.943 3.983 -0.040 25489 7189 1 13 . 1 1 36 36 GLU H H 36 8.239 8.239 7.932 0.307 25489 7190 1 13 . 1 1 37 37 ALA N N 37 120.683 120.683 121.442 -0.759 25489 7191 1 13 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.137 -0.090 25489 7192 1 13 . 1 1 37 37 ALA H H 37 7.898 7.898 7.691 0.207 25489 7193 1 13 . 1 1 38 38 LYS N N 38 119.470 119.470 119.473 -0.003 25489 7194 1 13 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.047 0.286 25489 7195 1 13 . 1 1 38 38 LYS H H 38 8.217 8.217 7.900 0.317 25489 7196 1 13 . 1 1 39 39 LEU N N 39 122.664 122.664 120.807 1.857 25489 7197 1 13 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.988 -0.074 25489 7198 1 13 . 1 1 39 39 LEU H H 39 8.658 8.658 8.394 0.264 25489 7199 1 13 . 1 1 40 40 LYS N N 40 118.301 118.301 119.923 -1.622 25489 7200 1 13 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.864 0.809 25489 7201 1 13 . 1 1 40 40 LYS H H 40 8.221 8.221 8.407 -0.186 25489 7202 1 13 . 1 1 41 41 GLU N N 41 121.462 121.462 118.833 2.629 25489 7203 1 13 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.117 -0.049 25489 7204 1 13 . 1 1 41 41 GLU H H 41 7.736 7.736 8.443 -0.707 25489 7205 1 13 . 1 1 42 42 MET N N 42 123.761 123.761 118.735 5.026 25489 7206 1 13 . 1 1 42 42 MET HA H 42 4.046 4.046 4.347 -0.301 25489 7207 1 13 . 1 1 42 42 MET H H 42 7.672 7.672 7.599 0.073 25489 7208 1 13 . 1 1 43 43 GLN N N 43 120.035 120.035 118.575 1.460 25489 7209 1 13 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.111 -0.315 25489 7210 1 13 . 1 1 43 43 GLN H H 43 8.904 8.904 8.501 0.403 25489 7211 1 13 . 1 1 44 44 LYS N N 44 119.131 119.131 118.425 0.706 25489 7212 1 13 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.304 -0.252 25489 7213 1 13 . 1 1 44 44 LYS H H 44 8.511 8.511 7.990 0.521 25489 7214 1 13 . 1 1 45 45 PHE N N 45 123.544 123.544 121.408 2.136 25489 7215 1 13 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.261 -0.410 25489 7216 1 13 . 1 1 45 45 PHE H H 45 8.438 8.438 7.736 0.702 25489 7217 1 13 . 1 1 46 46 PHE N N 46 112.789 112.789 115.760 -2.971 25489 7218 1 13 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.720 -0.138 25489 7219 1 13 . 1 1 46 46 PHE H H 46 8.273 8.273 7.668 0.605 25489 7220 1 13 . 1 1 47 47 GLY N N 47 110.408 110.408 106.544 3.864 25489 7221 1 13 . 1 1 47 47 GLY H H 47 7.922 7.922 8.220 -0.298 25489 7222 1 13 . 1 1 48 48 LEU N N 48 121.853 121.853 121.826 0.027 25489 7223 1 13 . 1 1 48 48 LEU H H 48 8.747 8.747 7.755 0.992 25489 7224 1 13 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.327 -0.126 25489 7225 1 13 . 1 1 50 50 ILE N N 50 127.000 127.000 117.626 9.374 25489 7226 1 13 . 1 1 50 50 ILE H H 50 8.529 8.529 7.833 0.696 25489 7227 1 13 . 1 1 51 51 THR N N 51 116.519 116.519 115.750 0.769 25489 7228 1 13 . 1 1 51 51 THR H H 51 7.980 7.980 7.734 0.246 25489 7229 1 13 . 1 1 52 52 GLY N N 52 112.725 112.725 112.981 -0.256 25489 7230 1 13 . 1 1 52 52 GLY H H 52 9.483 9.483 9.301 0.182 25489 7231 1 13 . 1 1 53 53 MET N N 53 116.735 116.735 117.717 -0.982 25489 7232 1 13 . 1 1 53 53 MET HA H 53 4.044 4.044 5.049 -1.005 25489 7233 1 13 . 1 1 53 53 MET H H 53 7.969 7.969 7.550 0.419 25489 7234 1 13 . 1 1 54 54 LEU N N 54 122.602 122.602 122.240 0.362 25489 7235 1 13 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.582 -0.876 25489 7236 1 13 . 1 1 54 54 LEU H H 54 7.926 7.926 8.255 -0.329 25489 7237 1 13 . 1 1 55 55 ASN N N 55 115.755 115.755 119.659 -3.904 25489 7238 1 13 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.813 -0.073 25489 7239 1 13 . 1 1 55 55 ASN H H 55 6.555 6.555 8.816 -2.261 25489 7240 1 13 . 1 1 56 56 SER N N 56 121.450 121.450 114.992 6.458 25489 7241 1 13 . 1 1 56 56 SER HA H 56 4.662 4.662 4.474 0.188 25489 7242 1 13 . 1 1 56 56 SER H H 56 8.205 8.205 8.238 -0.033 25489 7243 1 13 . 1 1 57 57 ARG N N 57 123.219 123.219 121.552 1.667 25489 7244 1 13 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.057 0.149 25489 7245 1 13 . 1 1 57 57 ARG H H 57 7.883 7.883 8.670 -0.787 25489 7246 1 13 . 1 1 58 58 VAL N N 58 118.843 118.843 117.718 1.125 25489 7247 1 13 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.260 0.040 25489 7248 1 13 . 1 1 58 58 VAL H H 58 7.594 7.594 7.992 -0.398 25489 7249 1 13 . 1 1 59 59 ILE N N 59 119.212 119.212 118.586 0.626 25489 7250 1 13 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.911 -0.442 25489 7251 1 13 . 1 1 59 59 ILE H H 59 7.326 7.326 7.658 -0.332 25489 7252 1 13 . 1 1 60 60 GLU N N 60 119.544 119.544 119.584 -0.040 25489 7253 1 13 . 1 1 60 60 GLU H H 60 7.880 7.880 7.908 -0.028 25489 7254 1 13 . 1 1 61 61 ILE N N 61 118.812 118.812 115.639 3.173 25489 7255 1 13 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.888 -0.446 25489 7256 1 13 . 1 1 61 61 ILE H H 61 7.217 7.217 7.591 -0.374 25489 7257 1 13 . 1 1 62 62 MET N N 62 120.202 120.202 116.201 4.001 25489 7258 1 13 . 1 1 62 62 MET HA H 62 3.419 3.419 4.258 -0.839 25489 7259 1 13 . 1 1 62 62 MET H H 62 7.820 7.820 7.832 -0.012 25489 7260 1 13 . 1 1 63 63 GLN N N 63 116.274 116.274 116.128 0.146 25489 7261 1 13 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.327 -0.086 25489 7262 1 13 . 1 1 63 63 GLN H H 63 7.442 7.442 7.421 0.021 25489 7263 1 13 . 1 1 64 64 LYS N N 64 121.450 121.450 119.531 1.919 25489 7264 1 13 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.497 0.002 25489 7265 1 13 . 1 1 64 64 LYS H H 64 7.474 7.474 7.177 0.297 25489 7266 1 13 . 1 1 66 66 ARG N N 66 113.173 113.173 119.729 -6.556 25489 7267 1 13 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.885 -0.446 25489 7268 1 13 . 1 1 66 66 ARG H H 66 8.151 8.151 7.953 0.198 25489 7269 1 13 . 1 1 67 67 CYS N N 67 121.794 121.794 120.361 1.433 25489 7270 1 13 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.436 -0.016 25489 7271 1 13 . 1 1 67 67 CYS H H 67 7.709 7.709 8.887 -1.178 25489 7272 1 13 . 1 1 68 68 GLY N N 68 116.255 116.255 115.947 0.308 25489 7273 1 13 . 1 1 68 68 GLY H H 68 9.707 9.707 8.306 1.401 25489 7274 1 13 . 1 1 69 69 VAL N N 69 126.541 126.541 120.185 6.356 25489 7275 1 13 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.373 -0.566 25489 7276 1 13 . 1 1 69 69 VAL H H 69 9.118 9.118 7.376 1.742 25489 7277 1 13 . 1 1 71 71 ASP N N 71 119.114 119.114 120.112 -0.998 25489 7278 1 13 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.393 0.090 25489 7279 1 13 . 1 1 71 71 ASP H H 71 8.067 8.067 8.361 -0.294 25489 7280 1 13 . 1 1 72 72 VAL N N 72 112.988 112.988 116.796 -3.808 25489 7281 1 13 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.724 0.557 25489 7282 1 13 . 1 1 72 72 VAL H H 72 6.438 6.438 7.344 -0.906 25489 7283 1 13 . 1 1 73 73 ALA N N 73 125.902 125.902 128.260 -2.358 25489 7284 1 13 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.597 -0.330 25489 7285 1 13 . 1 1 73 73 ALA H H 73 8.171 8.171 6.999 1.172 25489 7286 1 13 . 1 1 74 74 GLU N N 74 120.835 120.835 121.607 -0.772 25489 7287 1 13 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.317 -0.234 25489 7288 1 13 . 1 1 74 74 GLU H H 74 8.385 8.385 8.047 0.338 25489 7289 1 13 . 1 1 75 75 TYR N N 75 121.820 121.820 119.664 2.156 25489 7290 1 13 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.808 -0.414 25489 7291 1 13 . 1 1 75 75 TYR H H 75 8.102 8.102 7.314 0.788 25489 7292 1 13 . 1 1 76 76 SER N N 76 117.881 117.881 116.804 1.077 25489 7293 1 13 . 1 1 76 76 SER H H 76 7.718 7.718 8.597 -0.879 25489 7294 1 13 . 1 1 77 77 LEU N N 77 123.835 123.835 122.586 1.249 25489 7295 1 13 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.103 -0.011 25489 7296 1 13 . 1 1 77 77 LEU H H 77 8.033 8.033 8.743 -0.710 25489 7297 1 13 . 1 1 78 78 PHE N N 78 118.893 118.893 122.600 -3.707 25489 7298 1 13 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.607 0.238 25489 7299 1 13 . 1 1 78 78 PHE H H 78 7.822 7.822 7.959 -0.137 25489 7300 1 13 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.222 0.109 25489 7301 1 13 . 1 1 80 80 ASN N N 80 118.184 118.184 119.942 -1.758 25489 7302 1 13 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.797 -0.117 25489 7303 1 13 . 1 1 80 80 ASN H H 80 8.106 8.106 8.265 -0.159 25489 7304 1 13 . 1 1 81 81 SER HA H 81 4.636 4.636 4.857 -0.221 25489 7305 1 13 . 1 1 83 83 LYS N N 83 114.696 114.696 112.388 2.308 25489 7306 1 13 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.721 -0.498 25489 7307 1 13 . 1 1 83 83 LYS H H 83 7.361 7.361 7.222 0.139 25489 7308 1 13 . 1 1 84 84 TRP N N 84 122.459 122.459 123.419 -0.960 25489 7309 1 13 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.630 -0.627 25489 7310 1 13 . 1 1 84 84 TRP H H 84 8.020 8.020 8.826 -0.806 25489 7311 1 13 . 1 1 85 85 THR N N 85 113.482 113.482 118.229 -4.747 25489 7312 1 13 . 1 1 85 85 THR HA H 85 4.586 4.586 4.431 0.155 25489 7313 1 13 . 1 1 85 85 THR H H 85 8.833 8.833 7.888 0.945 25489 7314 1 13 . 1 1 86 86 SER N N 86 117.316 117.316 116.258 1.058 25489 7315 1 13 . 1 1 86 86 SER HA H 86 4.665 4.665 4.409 0.256 25489 7316 1 13 . 1 1 86 86 SER H H 86 7.724 7.724 6.903 0.821 25489 7317 1 13 . 1 1 87 87 LYS N N 87 120.411 120.411 124.060 -3.649 25489 7318 1 13 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.227 -0.088 25489 7319 1 13 . 1 1 87 87 LYS H H 87 8.312 8.312 8.636 -0.324 25489 7320 1 13 . 1 1 88 88 VAL N N 88 117.674 117.674 112.017 5.657 25489 7321 1 13 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.539 0.112 25489 7322 1 13 . 1 1 88 88 VAL H H 88 7.425 7.425 7.485 -0.060 25489 7323 1 13 . 1 1 89 89 VAL N N 89 131.493 131.493 125.868 5.625 25489 7324 1 13 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.500 -0.359 25489 7325 1 13 . 1 1 89 89 VAL H H 89 8.574 8.574 8.955 -0.381 25489 7326 1 13 . 1 1 90 90 THR N N 90 118.245 118.245 119.386 -1.141 25489 7327 1 13 . 1 1 90 90 THR HA H 90 5.627 5.627 5.388 0.239 25489 7328 1 13 . 1 1 90 90 THR H H 90 9.021 9.021 8.443 0.578 25489 7329 1 13 . 1 1 91 91 TYR N N 91 118.267 118.267 117.502 0.765 25489 7330 1 13 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.633 0.041 25489 7331 1 13 . 1 1 91 91 TYR H H 91 8.555 8.555 8.827 -0.272 25489 7332 1 13 . 1 1 92 92 ARG N N 92 120.260 120.260 121.558 -1.298 25489 7333 1 13 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.938 -0.292 25489 7334 1 13 . 1 1 92 92 ARG H H 92 8.513 8.513 8.911 -0.398 25489 7335 1 13 . 1 1 93 93 ILE N N 93 128.361 128.361 128.172 0.189 25489 7336 1 13 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.720 -0.101 25489 7337 1 13 . 1 1 93 93 ILE H H 93 8.878 8.878 9.037 -0.159 25489 7338 1 13 . 1 1 94 94 VAL N N 94 126.374 126.374 125.792 0.582 25489 7339 1 13 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.117 -0.117 25489 7340 1 13 . 1 1 94 94 VAL H H 94 9.492 9.492 8.565 0.927 25489 7341 1 13 . 1 1 95 95 SER N N 95 113.303 113.303 113.942 -0.639 25489 7342 1 13 . 1 1 95 95 SER HA H 95 4.705 4.705 4.689 0.016 25489 7343 1 13 . 1 1 95 95 SER H H 95 7.431 7.431 7.544 -0.113 25489 7344 1 13 . 1 1 96 96 TYR N N 96 117.054 117.054 120.099 -3.045 25489 7345 1 13 . 1 1 96 96 TYR H H 96 8.255 8.255 8.417 -0.162 25489 7346 1 13 . 1 1 98 98 ARG N N 98 128.445 128.445 127.371 1.074 25489 7347 1 13 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.283 0.055 25489 7348 1 13 . 1 1 98 98 ARG H H 98 8.964 8.964 8.597 0.367 25489 7349 1 13 . 1 1 99 99 ASP N N 99 120.412 120.412 118.615 1.797 25489 7350 1 13 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.529 -0.194 25489 7351 1 13 . 1 1 99 99 ASP H H 99 8.695 8.695 7.796 0.899 25489 7352 1 13 . 1 1 100 100 LEU N N 100 116.851 116.851 120.189 -3.338 25489 7353 1 13 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.601 0.332 25489 7354 1 13 . 1 1 100 100 LEU H H 100 6.902 6.902 7.270 -0.368 25489 7355 1 13 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.130 0.037 25489 7356 1 13 . 1 1 103 103 ILE N N 103 115.469 115.469 115.047 0.422 25489 7357 1 13 . 1 1 103 103 ILE HA H 103 4.173 4.173 4.003 0.170 25489 7358 1 13 . 1 1 103 103 ILE H H 103 8.296 8.296 8.222 0.074 25489 7359 1 13 . 1 1 104 104 THR N N 104 119.413 119.413 117.865 1.548 25489 7360 1 13 . 1 1 104 104 THR HA H 104 4.019 4.019 4.166 -0.147 25489 7361 1 13 . 1 1 104 104 THR H H 104 6.915 6.915 7.466 -0.551 25489 7362 1 13 . 1 1 105 105 VAL N N 105 123.232 123.232 119.377 3.855 25489 7363 1 13 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.665 -0.251 25489 7364 1 13 . 1 1 105 105 VAL H H 105 7.379 7.379 7.463 -0.084 25489 7365 1 13 . 1 1 106 106 ASP N N 106 120.160 120.160 120.664 -0.504 25489 7366 1 13 . 1 1 106 106 ASP H H 106 8.615 8.615 8.597 0.018 25489 7367 1 13 . 1 1 107 107 ARG N N 107 121.041 121.041 118.751 2.290 25489 7368 1 13 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.110 -0.020 25489 7369 1 13 . 1 1 107 107 ARG H H 107 8.372 8.372 7.576 0.796 25489 7370 1 13 . 1 1 108 108 LEU N N 108 121.644 121.644 120.008 1.636 25489 7371 1 13 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.054 0.199 25489 7372 1 13 . 1 1 108 108 LEU H H 108 8.768 8.768 8.258 0.510 25489 7373 1 13 . 1 1 109 109 VAL N N 109 120.347 120.347 120.008 0.339 25489 7374 1 13 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.293 0.078 25489 7375 1 13 . 1 1 109 109 VAL H H 109 8.762 8.762 7.816 0.946 25489 7376 1 13 . 1 1 110 110 SER N N 110 112.949 112.949 114.571 -1.622 25489 7377 1 13 . 1 1 110 110 SER HA H 110 4.270 4.270 3.490 0.780 25489 7378 1 13 . 1 1 110 110 SER H H 110 7.605 7.605 7.651 -0.046 25489 7379 1 13 . 1 1 111 111 LYS N N 111 122.434 122.434 121.173 1.261 25489 7380 1 13 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.027 0.015 25489 7381 1 13 . 1 1 111 111 LYS H H 111 8.146 8.146 7.360 0.786 25489 7382 1 13 . 1 1 112 112 ALA N N 112 124.099 124.099 123.126 0.973 25489 7383 1 13 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.565 0.512 25489 7384 1 13 . 1 1 112 112 ALA H H 112 8.270 8.270 7.853 0.417 25489 7385 1 13 . 1 1 113 113 LEU N N 113 116.251 116.251 117.514 -1.263 25489 7386 1 13 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.654 0.068 25489 7387 1 13 . 1 1 113 113 LEU H H 113 8.019 8.019 7.875 0.144 25489 7388 1 13 . 1 1 114 114 ASN N N 114 116.659 116.659 116.287 0.372 25489 7389 1 13 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.559 -0.030 25489 7390 1 13 . 1 1 114 114 ASN H H 114 8.197 8.197 7.985 0.212 25489 7391 1 13 . 1 1 115 115 MET N N 115 122.118 122.118 119.624 2.494 25489 7392 1 13 . 1 1 115 115 MET HA H 115 4.013 4.013 4.008 0.005 25489 7393 1 13 . 1 1 115 115 MET H H 115 7.918 7.918 7.466 0.452 25489 7394 1 13 . 1 1 116 116 TRP N N 116 117.117 117.117 115.795 1.322 25489 7395 1 13 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.684 -0.174 25489 7396 1 13 . 1 1 116 116 TRP H H 116 6.773 6.773 7.586 -0.813 25489 7397 1 13 . 1 1 117 117 GLY N N 117 104.656 104.656 107.410 -2.754 25489 7398 1 13 . 1 1 117 117 GLY H H 117 9.305 9.305 7.844 1.461 25489 7399 1 13 . 1 1 118 118 LYS N N 118 118.567 118.567 119.435 -0.868 25489 7400 1 13 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.227 -0.050 25489 7401 1 13 . 1 1 118 118 LYS H H 118 7.947 7.947 7.431 0.516 25489 7402 1 13 . 1 1 119 119 GLU N N 119 113.899 113.899 118.176 -4.277 25489 7403 1 13 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.310 0.498 25489 7404 1 13 . 1 1 119 119 GLU H H 119 7.773 7.773 7.738 0.035 25489 7405 1 13 . 1 1 120 120 ILE N N 120 111.215 111.215 120.748 -9.533 25489 7406 1 13 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.502 0.819 25489 7407 1 13 . 1 1 120 120 ILE H H 120 7.528 7.528 7.794 -0.266 25489 7408 1 13 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.610 0.011 25489 7409 1 13 . 1 1 122 122 LEU N N 122 121.481 121.481 119.482 1.999 25489 7410 1 13 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.376 -0.084 25489 7411 1 13 . 1 1 122 122 LEU H H 122 6.815 6.815 7.539 -0.724 25489 7412 1 13 . 1 1 123 123 HIS N N 123 120.769 120.769 119.062 1.707 25489 7413 1 13 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.765 -0.173 25489 7414 1 13 . 1 1 123 123 HIS H H 123 7.709 7.709 8.343 -0.634 25489 7415 1 13 . 1 1 124 124 PHE N N 124 120.530 120.530 121.703 -1.173 25489 7416 1 13 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.933 0.879 25489 7417 1 13 . 1 1 124 124 PHE H H 124 8.306 8.306 7.493 0.813 25489 7418 1 13 . 1 1 125 125 ARG N N 125 123.891 123.891 123.156 0.735 25489 7419 1 13 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.721 -0.068 25489 7420 1 13 . 1 1 125 125 ARG H H 125 8.408 8.408 8.454 -0.046 25489 7421 1 13 . 1 1 126 126 LYS N N 126 130.178 130.178 126.262 3.916 25489 7422 1 13 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.323 0.038 25489 7423 1 13 . 1 1 126 126 LYS H H 126 8.468 8.468 8.715 -0.247 25489 7424 1 13 . 1 1 127 127 VAL N N 127 125.180 125.180 126.131 -0.951 25489 7425 1 13 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.378 0.130 25489 7426 1 13 . 1 1 127 127 VAL H H 127 8.679 8.679 7.715 0.964 25489 7427 1 13 . 1 1 128 128 VAL N N 128 117.584 117.584 118.471 -0.887 25489 7428 1 13 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.499 -0.213 25489 7429 1 13 . 1 1 128 128 VAL H H 128 8.469 8.469 8.278 0.191 25489 7430 1 13 . 1 1 129 129 TRP N N 129 119.805 119.805 119.518 0.287 25489 7431 1 13 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.680 0.006 25489 7432 1 13 . 1 1 129 129 TRP H H 129 7.447 7.447 7.595 -0.148 25489 7433 1 13 . 1 1 130 130 GLY N N 130 109.844 109.844 114.049 -4.205 25489 7434 1 13 . 1 1 130 130 GLY H H 130 8.072 8.072 7.782 0.290 25489 7435 1 13 . 1 1 131 131 THR N N 131 116.125 116.125 114.331 1.794 25489 7436 1 13 . 1 1 131 131 THR HA H 131 4.123 4.123 4.315 -0.192 25489 7437 1 13 . 1 1 131 131 THR H H 131 8.196 8.196 8.060 0.136 25489 7438 1 13 . 1 1 132 132 ALA N N 132 129.613 129.613 128.750 0.863 25489 7439 1 13 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.500 0.011 25489 7440 1 13 . 1 1 132 132 ALA H H 132 7.919 7.919 8.252 -0.333 25489 7441 1 13 . 1 1 133 133 ASP N N 133 123.004 123.004 122.909 0.095 25489 7442 1 13 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.608 -0.166 25489 7443 1 13 . 1 1 133 133 ASP H H 133 8.248 8.248 8.620 -0.372 25489 7444 1 13 . 1 1 134 134 ILE N N 134 125.478 125.478 122.336 3.142 25489 7445 1 13 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.300 -0.207 25489 7446 1 13 . 1 1 134 134 ILE H H 134 8.804 8.804 7.786 1.018 25489 7447 1 13 . 1 1 135 135 MET N N 135 127.471 127.471 127.751 -0.280 25489 7448 1 13 . 1 1 135 135 MET HA H 135 5.194 5.194 5.135 0.059 25489 7449 1 13 . 1 1 135 135 MET H H 135 7.437 7.437 9.348 -1.911 25489 7450 1 13 . 1 1 136 136 ILE N N 136 125.040 125.040 125.752 -0.712 25489 7451 1 13 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.715 0.862 25489 7452 1 13 . 1 1 136 136 ILE H H 136 9.085 9.085 8.856 0.229 25489 7453 1 13 . 1 1 137 137 GLY N N 137 112.059 112.059 114.423 -2.364 25489 7454 1 13 . 1 1 137 137 GLY H H 137 8.568 8.568 8.515 0.053 25489 7455 1 13 . 1 1 138 138 PHE N N 138 119.447 119.447 120.126 -0.679 25489 7456 1 13 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.295 0.159 25489 7457 1 13 . 1 1 138 138 PHE H H 138 7.861 7.861 8.293 -0.432 25489 7458 1 13 . 1 1 139 139 ALA N N 139 123.657 123.657 125.660 -2.003 25489 7459 1 13 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.688 0.047 25489 7460 1 13 . 1 1 139 139 ALA H H 139 8.939 8.939 9.093 -0.154 25489 7461 1 13 . 1 1 140 140 ARG N N 140 118.688 118.688 121.310 -2.622 25489 7462 1 13 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.424 0.650 25489 7463 1 13 . 1 1 140 140 ARG H H 140 8.563 8.563 8.417 0.146 25489 7464 1 13 . 1 1 141 141 GLY N N 141 108.964 108.964 107.686 1.278 25489 7465 1 13 . 1 1 141 141 GLY H H 141 9.018 9.018 9.012 0.006 25489 7466 1 13 . 1 1 143 143 HIS N N 143 120.218 120.218 112.630 7.588 25489 7467 1 13 . 1 1 143 143 HIS H H 143 8.998 8.998 7.796 1.202 25489 7468 1 13 . 1 1 145 145 ASP N N 145 117.684 117.684 119.899 -2.215 25489 7469 1 13 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.458 0.242 25489 7470 1 13 . 1 1 145 145 ASP H H 145 7.088 7.088 8.395 -1.307 25489 7471 1 13 . 1 1 146 146 SER HA H 146 4.140 4.140 4.507 -0.367 25489 7472 1 13 . 1 1 146 146 SER H H 146 8.220 8.220 7.521 0.699 25489 7473 1 13 . 1 1 147 147 TYR N N 147 120.867 120.867 124.347 -3.480 25489 7474 1 13 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.205 0.583 25489 7475 1 13 . 1 1 147 147 TYR H H 147 7.459 7.459 8.705 -1.246 25489 7476 1 13 . 1 1 149 149 PHE N N 149 120.630 120.630 120.972 -0.342 25489 7477 1 13 . 1 1 149 149 PHE H H 149 8.018 8.018 8.488 -0.470 25489 7478 1 13 . 1 1 150 150 ASP N N 150 115.626 115.626 115.443 0.183 25489 7479 1 13 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.429 0.414 25489 7480 1 13 . 1 1 150 150 ASP H H 150 7.543 7.543 7.760 -0.217 25489 7481 1 13 . 1 1 151 151 GLY N N 151 110.700 110.700 109.517 1.183 25489 7482 1 13 . 1 1 151 151 GLY H H 151 9.074 9.074 8.541 0.533 25489 7483 1 13 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.608 -0.582 25489 7484 1 13 . 1 1 153 153 GLY N N 153 118.786 118.786 114.940 3.846 25489 7485 1 13 . 1 1 153 153 GLY H H 153 11.385 11.385 8.191 3.194 25489 7486 1 13 . 1 1 154 154 ASN N N 154 120.613 120.613 124.578 -3.965 25489 7487 1 13 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.288 -0.090 25489 7488 1 13 . 1 1 154 154 ASN H H 154 9.225 9.225 8.441 0.784 25489 7489 1 13 . 1 1 155 155 THR N N 155 118.700 118.700 116.249 2.451 25489 7490 1 13 . 1 1 155 155 THR HA H 155 5.542 5.542 4.008 1.534 25489 7491 1 13 . 1 1 155 155 THR H H 155 9.519 9.519 8.845 0.674 25489 7492 1 13 . 1 1 156 156 LEU N N 156 122.765 122.765 124.017 -1.252 25489 7493 1 13 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.590 0.352 25489 7494 1 13 . 1 1 156 156 LEU H H 156 8.500 8.500 8.593 -0.093 25489 7495 1 13 . 1 1 157 157 ALA N N 157 115.545 115.545 116.344 -0.799 25489 7496 1 13 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.680 0.327 25489 7497 1 13 . 1 1 157 157 ALA H H 157 7.545 7.545 7.325 0.220 25489 7498 1 13 . 1 1 158 158 HIS N N 158 111.868 111.868 115.291 -3.423 25489 7499 1 13 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.048 -0.431 25489 7500 1 13 . 1 1 158 158 HIS H H 158 8.774 8.774 8.766 0.008 25489 7501 1 13 . 1 1 159 159 ALA N N 159 118.565 118.565 121.346 -2.781 25489 7502 1 13 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.334 0.323 25489 7503 1 13 . 1 1 159 159 ALA H H 159 6.114 6.114 8.157 -2.043 25489 7504 1 13 . 1 1 160 160 PHE N N 160 118.042 118.042 119.112 -1.070 25489 7505 1 13 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.691 -0.210 25489 7506 1 13 . 1 1 160 160 PHE H H 160 7.897 7.897 7.870 0.027 25489 7507 1 13 . 1 1 161 161 ALA N N 161 123.548 123.548 123.407 0.141 25489 7508 1 13 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.281 0.202 25489 7509 1 13 . 1 1 161 161 ALA H H 161 8.089 8.089 8.263 -0.174 25489 7510 1 13 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.290 -1.419 25489 7511 1 13 . 1 1 163 163 GLY N N 163 107.255 107.255 111.206 -3.951 25489 7512 1 13 . 1 1 163 163 GLY H H 163 5.992 5.992 7.679 -1.687 25489 7513 1 13 . 1 1 165 165 GLY H H 165 9.149 9.149 7.625 1.524 25489 7514 1 13 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.185 -0.032 25489 7515 1 13 . 1 1 167 167 GLY N N 167 103.338 103.338 104.051 -0.713 25489 7516 1 13 . 1 1 167 167 GLY H H 167 7.774 7.774 7.256 0.518 25489 7517 1 13 . 1 1 168 168 GLY N N 168 121.031 121.031 108.865 12.166 25489 7518 1 13 . 1 1 168 168 GLY H H 168 7.685 7.685 7.944 -0.259 25489 7519 1 13 . 1 1 169 169 ASP N N 169 123.703 123.703 123.510 0.193 25489 7520 1 13 . 1 1 169 169 ASP H H 169 8.578 8.578 7.862 0.716 25489 7521 1 13 . 1 1 170 170 ALA N N 170 119.569 119.569 120.036 -0.467 25489 7522 1 13 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.658 0.046 25489 7523 1 13 . 1 1 170 170 ALA H H 170 8.371 8.371 8.172 0.199 25489 7524 1 13 . 1 1 171 171 HIS N N 171 120.286 120.286 120.180 0.106 25489 7525 1 13 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.024 0.706 25489 7526 1 13 . 1 1 171 171 HIS H H 171 8.513 8.513 8.211 0.302 25489 7527 1 13 . 1 1 172 172 PHE N N 172 120.919 120.919 122.921 -2.002 25489 7528 1 13 . 1 1 172 172 PHE H H 172 8.457 8.457 8.754 -0.297 25489 7529 1 13 . 1 1 173 173 ASP N N 173 123.993 123.993 120.448 3.545 25489 7530 1 13 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.332 -1.436 25489 7531 1 13 . 1 1 173 173 ASP H H 173 7.915 7.915 8.821 -0.906 25489 7532 1 13 . 1 1 174 174 GLU N N 174 132.684 132.684 126.075 6.609 25489 7533 1 13 . 1 1 174 174 GLU H H 174 9.461 9.461 8.325 1.136 25489 7534 1 13 . 1 1 175 175 ASP N N 175 117.313 117.313 118.917 -1.604 25489 7535 1 13 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.552 0.245 25489 7536 1 13 . 1 1 175 175 ASP H H 175 8.756 8.756 8.291 0.465 25489 7537 1 13 . 1 1 176 176 GLU N N 176 116.511 116.511 118.574 -2.063 25489 7538 1 13 . 1 1 176 176 GLU H H 176 7.154 7.154 8.229 -1.075 25489 7539 1 13 . 1 1 177 177 ARG N N 177 121.920 121.920 122.737 -0.817 25489 7540 1 13 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.616 0.009 25489 7541 1 13 . 1 1 177 177 ARG H H 177 7.555 7.555 8.331 -0.776 25489 7542 1 13 . 1 1 178 178 TRP N N 178 129.182 129.182 127.838 1.344 25489 7543 1 13 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.565 -0.452 25489 7544 1 13 . 1 1 178 178 TRP H H 178 8.788 8.788 8.317 0.471 25489 7545 1 13 . 1 1 179 179 THR N N 179 112.874 112.874 115.007 -2.133 25489 7546 1 13 . 1 1 179 179 THR HA H 179 5.015 5.015 4.729 0.286 25489 7547 1 13 . 1 1 179 179 THR H H 179 8.946 8.946 8.953 -0.007 25489 7548 1 13 . 1 1 180 180 ASP N N 180 121.969 121.969 120.520 1.449 25489 7549 1 13 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.821 -0.399 25489 7550 1 13 . 1 1 180 180 ASP H H 180 8.478 8.478 8.651 -0.173 25489 7551 1 13 . 1 1 181 181 GLY N N 181 110.059 110.059 108.714 1.345 25489 7552 1 13 . 1 1 181 181 GLY H H 181 8.572 8.572 8.497 0.075 25489 7553 1 13 . 1 1 182 182 SER N N 182 115.564 115.564 116.164 -0.600 25489 7554 1 13 . 1 1 182 182 SER HA H 182 4.599 4.599 4.638 -0.039 25489 7555 1 13 . 1 1 182 182 SER H H 182 8.173 8.173 8.031 0.141 25489 7556 1 13 . 1 1 183 183 SER N N 183 117.066 117.066 114.897 2.169 25489 7557 1 13 . 1 1 183 183 SER H H 183 7.819 7.819 7.940 -0.121 25489 7558 1 13 . 1 1 184 184 LEU N N 184 121.954 121.954 122.161 -0.207 25489 7559 1 13 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.408 -0.046 25489 7560 1 13 . 1 1 184 184 LEU H H 184 8.104 8.104 7.697 0.407 25489 7561 1 13 . 1 1 185 185 GLY N N 185 108.989 108.989 106.738 2.251 25489 7562 1 13 . 1 1 185 185 GLY H H 185 7.954 7.954 7.391 0.563 25489 7563 1 13 . 1 1 186 186 ILE N N 186 123.084 123.084 121.049 2.035 25489 7564 1 13 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.990 -0.211 25489 7565 1 13 . 1 1 186 186 ILE H H 186 8.878 8.878 8.309 0.569 25489 7566 1 13 . 1 1 187 187 ASN N N 187 126.999 126.999 123.741 3.258 25489 7567 1 13 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.819 -0.423 25489 7568 1 13 . 1 1 187 187 ASN H H 187 8.575 8.575 7.555 1.020 25489 7569 1 13 . 1 1 188 188 PHE N N 188 129.819 129.819 128.586 1.233 25489 7570 1 13 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.619 -0.028 25489 7571 1 13 . 1 1 188 188 PHE H H 188 9.365 9.365 8.319 1.046 25489 7572 1 13 . 1 1 189 189 LEU N N 189 119.292 119.292 120.823 -1.531 25489 7573 1 13 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.683 0.150 25489 7574 1 13 . 1 1 189 189 LEU H H 189 8.551 8.551 7.811 0.740 25489 7575 1 13 . 1 1 191 191 ALA N N 191 120.347 120.347 119.921 0.426 25489 7576 1 13 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.190 0.107 25489 7577 1 13 . 1 1 191 191 ALA H H 191 7.973 7.973 7.825 0.148 25489 7578 1 13 . 1 1 192 192 ALA N N 192 121.365 121.365 121.279 0.086 25489 7579 1 13 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.098 -0.081 25489 7580 1 13 . 1 1 192 192 ALA H H 192 9.258 9.258 7.815 1.443 25489 7581 1 13 . 1 1 193 193 THR N N 193 117.027 117.027 113.621 3.406 25489 7582 1 13 . 1 1 193 193 THR HA H 193 3.825 3.825 3.679 0.146 25489 7583 1 13 . 1 1 193 193 THR H H 193 8.209 8.209 7.485 0.724 25489 7584 1 13 . 1 1 194 194 HIS N N 194 120.231 120.231 121.581 -1.350 25489 7585 1 13 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.275 -0.042 25489 7586 1 13 . 1 1 194 194 HIS H H 194 7.805 7.805 7.884 -0.079 25489 7587 1 13 . 1 1 195 195 ALA N N 195 121.346 121.346 119.984 1.362 25489 7588 1 13 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.453 -0.273 25489 7589 1 13 . 1 1 195 195 ALA H H 195 8.693 8.693 7.916 0.777 25489 7590 1 13 . 1 1 196 196 LEU N N 196 114.951 114.951 117.783 -2.832 25489 7591 1 13 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.448 -0.290 25489 7592 1 13 . 1 1 196 196 LEU H H 196 8.714 8.714 8.065 0.649 25489 7593 1 13 . 1 1 197 197 GLY N N 197 107.954 107.954 106.426 1.528 25489 7594 1 13 . 1 1 197 197 GLY H H 197 7.540 7.540 7.908 -0.368 25489 7595 1 13 . 1 1 198 198 HIS N N 198 121.996 121.996 119.646 2.350 25489 7596 1 13 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.290 0.519 25489 7597 1 13 . 1 1 198 198 HIS H H 198 7.205 7.205 7.509 -0.304 25489 7598 1 13 . 1 1 199 199 SER N N 199 118.570 118.570 113.131 5.439 25489 7599 1 13 . 1 1 199 199 SER HA H 199 4.448 4.448 4.392 0.056 25489 7600 1 13 . 1 1 199 199 SER H H 199 7.886 7.886 8.303 -0.417 25489 7601 1 13 . 1 1 200 200 LEU N N 200 114.779 114.779 120.152 -5.373 25489 7602 1 13 . 1 1 200 200 LEU H H 200 7.106 7.106 7.561 -0.455 25489 7603 1 13 . 1 1 201 201 GLY N N 201 108.350 108.350 104.428 3.922 25489 7604 1 13 . 1 1 201 201 GLY H H 201 8.213 8.213 7.435 0.778 25489 7605 1 13 . 1 1 202 202 MET N N 202 119.623 119.623 119.299 0.324 25489 7606 1 13 . 1 1 202 202 MET HA H 202 4.484 4.484 4.530 -0.046 25489 7607 1 13 . 1 1 202 202 MET H H 202 8.189 8.189 7.751 0.438 25489 7608 1 13 . 1 1 203 203 GLY N N 203 109.770 109.770 107.345 2.425 25489 7609 1 13 . 1 1 203 203 GLY H H 203 8.413 8.413 8.434 -0.021 25489 7610 1 13 . 1 1 204 204 HIS N N 204 115.793 115.793 116.495 -0.702 25489 7611 1 13 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.893 0.481 25489 7612 1 13 . 1 1 204 204 HIS H H 204 8.383 8.383 8.341 0.042 25489 7613 1 13 . 1 1 205 205 SER N N 205 115.497 115.497 114.168 1.329 25489 7614 1 13 . 1 1 205 205 SER HA H 205 4.721 4.721 4.880 -0.159 25489 7615 1 13 . 1 1 205 205 SER H H 205 7.223 7.223 8.110 -0.887 25489 7616 1 13 . 1 1 206 206 SER N N 206 119.268 119.268 113.373 5.895 25489 7617 1 13 . 1 1 206 206 SER HA H 206 3.721 3.721 4.457 -0.736 25489 7618 1 13 . 1 1 206 206 SER H H 206 8.290 8.290 8.700 -0.410 25489 7619 1 13 . 1 1 207 207 ASP N N 207 126.656 126.656 121.761 4.895 25489 7620 1 13 . 1 1 207 207 ASP H H 207 8.541 8.541 7.804 0.737 25489 7621 1 13 . 1 1 209 209 ASN N N 209 115.911 115.911 112.703 3.208 25489 7622 1 13 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.854 -0.238 25489 7623 1 13 . 1 1 209 209 ASN H H 209 8.374 8.374 8.640 -0.266 25489 7624 1 13 . 1 1 210 210 ALA N N 210 124.929 124.929 122.183 2.746 25489 7625 1 13 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.786 -0.632 25489 7626 1 13 . 1 1 210 210 ALA H H 210 8.182 8.182 7.485 0.697 25489 7627 1 13 . 1 1 211 211 VAL N N 211 130.383 130.383 125.057 5.326 25489 7628 1 13 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.040 1.210 25489 7629 1 13 . 1 1 211 211 VAL H H 211 11.554 11.554 8.578 2.976 25489 7630 1 13 . 1 1 212 212 MET N N 212 113.319 113.319 114.678 -1.359 25489 7631 1 13 . 1 1 212 212 MET H H 212 7.741 7.741 8.449 -0.708 25489 7632 1 13 . 1 1 213 213 TYR N N 213 130.006 130.006 123.408 6.598 25489 7633 1 13 . 1 1 213 213 TYR H H 213 7.899 7.899 7.624 0.275 25489 7634 1 13 . 1 1 215 215 THR N N 215 104.747 104.747 110.008 -5.261 25489 7635 1 13 . 1 1 215 215 THR HA H 215 4.404 4.404 4.792 -0.388 25489 7636 1 13 . 1 1 215 215 THR H H 215 6.402 6.402 7.350 -0.948 25489 7637 1 13 . 1 1 216 216 TYR N N 216 124.699 124.699 123.563 1.136 25489 7638 1 13 . 1 1 216 216 TYR H H 216 8.341 8.341 8.817 -0.476 25489 7639 1 13 . 1 1 217 217 GLY N N 217 116.288 116.288 112.328 3.960 25489 7640 1 13 . 1 1 217 217 GLY H H 217 7.685 7.685 7.698 -0.013 25489 7641 1 13 . 1 1 218 218 ASN N N 218 119.920 119.920 116.182 3.738 25489 7642 1 13 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.365 0.255 25489 7643 1 13 . 1 1 218 218 ASN H H 218 8.221 8.221 8.488 -0.267 25489 7644 1 13 . 1 1 219 219 GLY N N 219 109.601 109.601 109.097 0.504 25489 7645 1 13 . 1 1 219 219 GLY H H 219 8.072 8.072 7.815 0.257 25489 7646 1 13 . 1 1 220 220 ASP N N 220 123.006 123.006 124.094 -1.088 25489 7647 1 13 . 1 1 220 220 ASP H H 220 8.280 8.280 8.402 -0.122 25489 7648 1 13 . 1 1 222 222 GLN N N 222 116.642 116.642 125.078 -8.436 25489 7649 1 13 . 1 1 222 222 GLN H H 222 8.215 8.215 8.728 -0.513 25489 7650 1 13 . 1 1 223 223 ASN N N 223 118.361 118.361 114.626 3.735 25489 7651 1 13 . 1 1 223 223 ASN H H 223 7.970 7.970 8.461 -0.491 25489 7652 1 13 . 1 1 225 225 LYS N N 225 122.215 122.215 126.177 -3.962 25489 7653 1 13 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.663 -0.247 25489 7654 1 13 . 1 1 225 225 LYS H H 225 7.656 7.656 8.099 -0.443 25489 7655 1 13 . 1 1 226 226 LEU N N 226 119.165 119.165 122.660 -3.495 25489 7656 1 13 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.695 -0.607 25489 7657 1 13 . 1 1 226 226 LEU H H 226 7.984 7.984 8.711 -0.727 25489 7658 1 13 . 1 1 227 227 SER N N 227 120.520 120.520 118.993 1.527 25489 7659 1 13 . 1 1 227 227 SER HA H 227 4.676 4.676 4.675 0.001 25489 7660 1 13 . 1 1 227 227 SER H H 227 9.646 9.646 9.029 0.617 25489 7661 1 13 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.335 0.339 25489 7662 1 13 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.673 -0.299 25489 7663 1 13 . 1 1 229 229 ASP H H 229 8.113 8.113 7.540 0.573 25489 7664 1 13 . 1 1 230 230 ASP N N 230 119.878 119.878 122.288 -2.410 25489 7665 1 13 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.472 -0.134 25489 7666 1 13 . 1 1 230 230 ASP H H 230 7.397 7.397 7.585 -0.188 25489 7667 1 13 . 1 1 231 231 ILE N N 231 120.389 120.389 119.361 1.028 25489 7668 1 13 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.692 -0.037 25489 7669 1 13 . 1 1 231 231 ILE H H 231 8.100 8.100 7.632 0.468 25489 7670 1 13 . 1 1 232 232 LYS N N 232 119.084 119.084 119.444 -0.360 25489 7671 1 13 . 1 1 232 232 LYS HA H 232 4.095 4.095 3.920 0.175 25489 7672 1 13 . 1 1 232 232 LYS H H 232 8.581 8.581 8.136 0.445 25489 7673 1 13 . 1 1 233 233 GLY N N 233 106.424 106.424 104.544 1.880 25489 7674 1 13 . 1 1 233 233 GLY H H 233 8.061 8.061 7.640 0.421 25489 7675 1 13 . 1 1 234 234 ILE N N 234 125.166 125.166 122.964 2.202 25489 7676 1 13 . 1 1 234 234 ILE H H 234 8.517 8.517 7.343 1.174 25489 7677 1 13 . 1 1 235 235 GLN N N 235 122.969 122.969 118.150 4.819 25489 7678 1 13 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.007 1.374 25489 7679 1 13 . 1 1 235 235 GLN H H 235 8.291 8.291 7.831 0.460 25489 7680 1 13 . 1 1 236 236 LYS N N 236 123.770 123.770 118.628 5.142 25489 7681 1 13 . 1 1 236 236 LYS H H 236 8.035 8.035 7.238 0.797 25489 7682 1 13 . 1 1 237 237 LEU N N 237 116.854 116.854 119.633 -2.779 25489 7683 1 13 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.093 -0.134 25489 7684 1 13 . 1 1 237 237 LEU H H 237 6.886 6.886 7.298 -0.412 25489 7685 1 13 . 1 1 238 238 TYR N N 238 112.132 112.132 113.441 -1.309 25489 7686 1 13 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.835 -0.209 25489 7687 1 13 . 1 1 238 238 TYR H H 238 7.459 7.459 7.312 0.147 25489 7688 1 13 . 1 1 239 239 GLY N N 239 110.898 110.898 109.260 1.638 25489 7689 1 13 . 1 1 239 239 GLY H H 239 8.442 8.442 7.254 1.188 25489 7690 1 13 . 1 1 240 240 LYS N N 240 114.400 114.400 120.794 -6.394 25489 7691 1 13 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.543 0.261 25489 7692 1 13 . 1 1 240 240 LYS H H 240 7.865 7.865 8.326 -0.461 25489 7693 1 13 . 1 1 241 241 ARG N N 241 123.851 123.851 124.319 -0.468 25489 7694 1 13 . 1 1 241 241 ARG H H 241 7.760 7.760 8.788 -1.028 25489 7695 1 13 . 1 1 242 242 SER N N 242 135.647 135.647 115.541 20.106 25489 7696 1 13 . 1 1 242 242 SER H H 242 9.158 9.158 8.695 0.463 25489 7697 1 14 . 1 1 3 3 GLU N N 3 121.690 121.690 125.598 -3.908 25489 7698 1 14 . 1 1 3 3 GLU H H 3 8.332 8.332 8.951 -0.619 25489 7699 1 14 . 1 1 4 4 ALA N N 4 124.526 124.526 119.566 4.960 25489 7700 1 14 . 1 1 4 4 ALA H H 4 8.111 8.111 8.399 -0.288 25489 7701 1 14 . 1 1 5 5 GLY N N 5 108.229 108.229 105.361 2.868 25489 7702 1 14 . 1 1 5 5 GLY H H 5 8.286 8.286 7.542 0.744 25489 7703 1 14 . 1 1 6 6 GLY N N 6 108.867 108.867 107.949 0.918 25489 7704 1 14 . 1 1 6 6 GLY H H 6 8.239 8.239 7.677 0.562 25489 7705 1 14 . 1 1 7 7 MET N N 7 119.984 119.984 120.950 -0.966 25489 7706 1 14 . 1 1 7 7 MET H H 7 8.044 8.044 7.295 0.749 25489 7707 1 14 . 1 1 8 8 SER N N 8 118.771 118.771 120.037 -1.266 25489 7708 1 14 . 1 1 8 8 SER HA H 8 4.239 4.239 4.313 -0.074 25489 7709 1 14 . 1 1 8 8 SER H H 8 8.738 8.738 8.643 0.095 25489 7710 1 14 . 1 1 9 9 GLU N N 9 122.551 122.551 127.648 -5.097 25489 7711 1 14 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.243 0.009 25489 7712 1 14 . 1 1 9 9 GLU H H 9 8.919 8.919 8.991 -0.072 25489 7713 1 14 . 1 1 10 10 LEU N N 10 120.638 120.638 119.135 1.503 25489 7714 1 14 . 1 1 10 10 LEU H H 10 8.017 8.017 7.633 0.384 25489 7715 1 14 . 1 1 11 11 GLN N N 11 119.889 119.889 119.369 0.520 25489 7716 1 14 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.111 0.023 25489 7717 1 14 . 1 1 11 11 GLN H H 11 7.807 7.807 7.790 0.017 25489 7718 1 14 . 1 1 12 12 TRP N N 12 120.951 120.951 121.163 -0.212 25489 7719 1 14 . 1 1 12 12 TRP H H 12 8.202 8.202 7.927 0.275 25489 7720 1 14 . 1 1 13 13 GLU N N 13 121.870 121.870 118.258 3.612 25489 7721 1 14 . 1 1 13 13 GLU H H 13 8.436 8.436 8.319 0.117 25489 7722 1 14 . 1 1 14 14 GLN N N 14 120.646 120.646 118.476 2.170 25489 7723 1 14 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.681 0.488 25489 7724 1 14 . 1 1 14 14 GLN H H 14 8.159 8.159 7.464 0.695 25489 7725 1 14 . 1 1 15 15 ALA N N 15 123.216 123.216 120.463 2.753 25489 7726 1 14 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.913 0.425 25489 7727 1 14 . 1 1 15 15 ALA H H 15 8.355 8.355 8.025 0.330 25489 7728 1 14 . 1 1 16 16 GLN N N 16 117.766 117.766 115.560 2.206 25489 7729 1 14 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.936 -0.231 25489 7730 1 14 . 1 1 16 16 GLN H H 16 8.440 8.440 7.174 1.266 25489 7731 1 14 . 1 1 17 17 ASP N N 17 120.090 120.090 121.516 -1.426 25489 7732 1 14 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.239 0.224 25489 7733 1 14 . 1 1 17 17 ASP H H 17 7.899 7.899 7.448 0.451 25489 7734 1 14 . 1 1 18 18 TYR N N 18 122.296 122.296 117.328 4.968 25489 7735 1 14 . 1 1 18 18 TYR H H 18 8.264 8.264 7.856 0.408 25489 7736 1 14 . 1 1 19 19 LEU N N 19 117.675 117.675 120.252 -2.577 25489 7737 1 14 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.135 -0.010 25489 7738 1 14 . 1 1 19 19 LEU H H 19 8.687 8.687 7.433 1.254 25489 7739 1 14 . 1 1 20 20 LYS N N 20 124.620 124.620 118.344 6.276 25489 7740 1 14 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.283 -0.140 25489 7741 1 14 . 1 1 20 20 LYS H H 20 8.790 8.790 7.756 1.034 25489 7742 1 14 . 1 1 21 21 ARG N N 21 117.608 117.608 116.354 1.254 25489 7743 1 14 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.118 -0.421 25489 7744 1 14 . 1 1 21 21 ARG H H 21 7.835 7.835 7.683 0.152 25489 7745 1 14 . 1 1 22 22 PHE N N 22 112.136 112.136 117.680 -5.544 25489 7746 1 14 . 1 1 22 22 PHE H H 22 8.003 8.003 7.399 0.604 25489 7747 1 14 . 1 1 23 23 TYR N N 23 116.244 116.244 114.801 1.443 25489 7748 1 14 . 1 1 23 23 TYR H H 23 7.678 7.678 8.379 -0.701 25489 7749 1 14 . 1 1 24 24 LEU N N 24 115.582 115.582 115.283 0.299 25489 7750 1 14 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.706 -0.571 25489 7751 1 14 . 1 1 24 24 LEU H H 24 7.238 7.238 7.912 -0.674 25489 7752 1 14 . 1 1 25 25 TYR N N 25 119.996 119.996 124.675 -4.679 25489 7753 1 14 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.545 -0.140 25489 7754 1 14 . 1 1 25 25 TYR H H 25 7.826 7.826 8.512 -0.686 25489 7755 1 14 . 1 1 26 26 ASP N N 26 129.292 129.292 126.788 2.504 25489 7756 1 14 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.726 -0.265 25489 7757 1 14 . 1 1 26 26 ASP H H 26 8.121 8.121 8.057 0.064 25489 7758 1 14 . 1 1 28 28 GLU N N 28 122.115 122.115 120.993 1.122 25489 7759 1 14 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.220 0.061 25489 7760 1 14 . 1 1 28 28 GLU H H 28 8.262 8.262 7.961 0.301 25489 7761 1 14 . 1 1 29 29 THR N N 29 114.171 114.171 114.689 -0.518 25489 7762 1 14 . 1 1 29 29 THR HA H 29 4.222 4.222 4.059 0.163 25489 7763 1 14 . 1 1 29 29 THR H H 29 7.496 7.496 8.428 -0.932 25489 7764 1 14 . 1 1 30 30 LYS N N 30 123.019 123.019 122.964 0.055 25489 7765 1 14 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.081 0.137 25489 7766 1 14 . 1 1 30 30 LYS H H 30 8.154 8.154 7.344 0.810 25489 7767 1 14 . 1 1 32 32 ALA N N 32 126.481 126.481 123.466 3.015 25489 7768 1 14 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.983 0.267 25489 7769 1 14 . 1 1 32 32 ALA H H 32 8.424 8.424 8.675 -0.251 25489 7770 1 14 . 1 1 33 33 ASN N N 33 116.834 116.834 116.629 0.205 25489 7771 1 14 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.501 0.197 25489 7772 1 14 . 1 1 33 33 ASN H H 33 8.312 8.312 8.439 -0.127 25489 7773 1 14 . 1 1 34 34 SER N N 34 116.960 116.960 116.435 0.525 25489 7774 1 14 . 1 1 34 34 SER HA H 34 4.522 4.522 4.221 0.301 25489 7775 1 14 . 1 1 34 34 SER H H 34 8.112 8.112 8.048 0.064 25489 7776 1 14 . 1 1 35 35 LEU N N 35 125.335 125.335 121.534 3.801 25489 7777 1 14 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.054 -0.503 25489 7778 1 14 . 1 1 35 35 LEU H H 35 8.324 8.324 8.474 -0.150 25489 7779 1 14 . 1 1 36 36 GLU N N 36 119.302 119.302 120.044 -0.742 25489 7780 1 14 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.104 -0.161 25489 7781 1 14 . 1 1 36 36 GLU H H 36 8.239 8.239 8.333 -0.094 25489 7782 1 14 . 1 1 37 37 ALA N N 37 120.683 120.683 119.644 1.039 25489 7783 1 14 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.223 -0.176 25489 7784 1 14 . 1 1 37 37 ALA H H 37 7.898 7.898 7.795 0.103 25489 7785 1 14 . 1 1 38 38 LYS N N 38 119.470 119.470 119.404 0.066 25489 7786 1 14 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.206 0.127 25489 7787 1 14 . 1 1 38 38 LYS H H 38 8.217 8.217 7.453 0.764 25489 7788 1 14 . 1 1 39 39 LEU N N 39 122.664 122.664 119.841 2.823 25489 7789 1 14 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.146 -0.232 25489 7790 1 14 . 1 1 39 39 LEU H H 39 8.658 8.658 8.663 -0.005 25489 7791 1 14 . 1 1 40 40 LYS N N 40 118.301 118.301 119.637 -1.336 25489 7792 1 14 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.003 0.670 25489 7793 1 14 . 1 1 40 40 LYS H H 40 8.221 8.221 7.855 0.366 25489 7794 1 14 . 1 1 41 41 GLU N N 41 121.462 121.462 119.620 1.842 25489 7795 1 14 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.173 -0.105 25489 7796 1 14 . 1 1 41 41 GLU H H 41 7.736 7.736 7.730 0.006 25489 7797 1 14 . 1 1 42 42 MET N N 42 123.761 123.761 118.885 4.876 25489 7798 1 14 . 1 1 42 42 MET HA H 42 4.046 4.046 4.536 -0.490 25489 7799 1 14 . 1 1 42 42 MET H H 42 7.672 7.672 7.638 0.034 25489 7800 1 14 . 1 1 43 43 GLN N N 43 120.035 120.035 119.004 1.031 25489 7801 1 14 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.237 -0.441 25489 7802 1 14 . 1 1 43 43 GLN H H 43 8.904 8.904 7.966 0.938 25489 7803 1 14 . 1 1 44 44 LYS N N 44 119.131 119.131 119.142 -0.011 25489 7804 1 14 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.264 -0.212 25489 7805 1 14 . 1 1 44 44 LYS H H 44 8.511 8.511 8.075 0.436 25489 7806 1 14 . 1 1 45 45 PHE N N 45 123.544 123.544 121.221 2.323 25489 7807 1 14 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.247 -0.397 25489 7808 1 14 . 1 1 45 45 PHE H H 45 8.438 8.438 7.983 0.455 25489 7809 1 14 . 1 1 46 46 PHE N N 46 112.789 112.789 116.023 -3.234 25489 7810 1 14 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.589 -0.007 25489 7811 1 14 . 1 1 46 46 PHE H H 46 8.273 8.273 7.658 0.615 25489 7812 1 14 . 1 1 47 47 GLY N N 47 110.408 110.408 106.497 3.911 25489 7813 1 14 . 1 1 47 47 GLY H H 47 7.922 7.922 8.230 -0.308 25489 7814 1 14 . 1 1 48 48 LEU N N 48 121.853 121.853 122.348 -0.495 25489 7815 1 14 . 1 1 48 48 LEU H H 48 8.747 8.747 7.805 0.942 25489 7816 1 14 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.482 -0.281 25489 7817 1 14 . 1 1 50 50 ILE N N 50 127.000 127.000 116.895 10.105 25489 7818 1 14 . 1 1 50 50 ILE H H 50 8.529 8.529 7.761 0.768 25489 7819 1 14 . 1 1 51 51 THR N N 51 116.519 116.519 114.112 2.407 25489 7820 1 14 . 1 1 51 51 THR H H 51 7.980 7.980 8.065 -0.085 25489 7821 1 14 . 1 1 52 52 GLY N N 52 112.725 112.725 113.632 -0.907 25489 7822 1 14 . 1 1 52 52 GLY H H 52 9.483 9.483 9.403 0.080 25489 7823 1 14 . 1 1 53 53 MET N N 53 116.735 116.735 121.419 -4.684 25489 7824 1 14 . 1 1 53 53 MET HA H 53 4.044 4.044 4.732 -0.688 25489 7825 1 14 . 1 1 53 53 MET H H 53 7.969 7.969 7.778 0.191 25489 7826 1 14 . 1 1 54 54 LEU N N 54 122.602 122.602 129.151 -6.549 25489 7827 1 14 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.527 -0.821 25489 7828 1 14 . 1 1 54 54 LEU H H 54 7.926 7.926 8.316 -0.390 25489 7829 1 14 . 1 1 55 55 ASN N N 55 115.755 115.755 121.004 -5.249 25489 7830 1 14 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.763 -0.023 25489 7831 1 14 . 1 1 55 55 ASN H H 55 6.555 6.555 8.802 -2.247 25489 7832 1 14 . 1 1 56 56 SER N N 56 121.450 121.450 117.485 3.965 25489 7833 1 14 . 1 1 56 56 SER HA H 56 4.662 4.662 4.667 -0.005 25489 7834 1 14 . 1 1 56 56 SER H H 56 8.205 8.205 7.987 0.218 25489 7835 1 14 . 1 1 57 57 ARG N N 57 123.219 123.219 121.445 1.774 25489 7836 1 14 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.271 -0.065 25489 7837 1 14 . 1 1 57 57 ARG H H 57 7.883 7.883 8.645 -0.762 25489 7838 1 14 . 1 1 58 58 VAL N N 58 118.843 118.843 116.855 1.988 25489 7839 1 14 . 1 1 58 58 VAL HA H 58 3.300 3.300 2.987 0.313 25489 7840 1 14 . 1 1 58 58 VAL H H 58 7.594 7.594 7.756 -0.162 25489 7841 1 14 . 1 1 59 59 ILE N N 59 119.212 119.212 119.108 0.104 25489 7842 1 14 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.811 -0.342 25489 7843 1 14 . 1 1 59 59 ILE H H 59 7.326 7.326 7.520 -0.194 25489 7844 1 14 . 1 1 60 60 GLU N N 60 119.544 119.544 121.140 -1.596 25489 7845 1 14 . 1 1 60 60 GLU H H 60 7.880 7.880 7.432 0.448 25489 7846 1 14 . 1 1 61 61 ILE N N 61 118.812 118.812 115.494 3.318 25489 7847 1 14 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.932 -0.490 25489 7848 1 14 . 1 1 61 61 ILE H H 61 7.217 7.217 7.391 -0.174 25489 7849 1 14 . 1 1 62 62 MET N N 62 120.202 120.202 115.085 5.117 25489 7850 1 14 . 1 1 62 62 MET HA H 62 3.419 3.419 4.285 -0.866 25489 7851 1 14 . 1 1 62 62 MET H H 62 7.820 7.820 7.774 0.046 25489 7852 1 14 . 1 1 63 63 GLN N N 63 116.274 116.274 116.417 -0.143 25489 7853 1 14 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.342 -0.101 25489 7854 1 14 . 1 1 63 63 GLN H H 63 7.442 7.442 7.578 -0.136 25489 7855 1 14 . 1 1 64 64 LYS N N 64 121.450 121.450 120.974 0.476 25489 7856 1 14 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.403 0.096 25489 7857 1 14 . 1 1 64 64 LYS H H 64 7.474 7.474 7.806 -0.332 25489 7858 1 14 . 1 1 66 66 ARG N N 66 113.173 113.173 119.064 -5.891 25489 7859 1 14 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.648 -0.209 25489 7860 1 14 . 1 1 66 66 ARG H H 66 8.151 8.151 8.195 -0.044 25489 7861 1 14 . 1 1 67 67 CYS N N 67 121.794 121.794 121.857 -0.063 25489 7862 1 14 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.545 -0.125 25489 7863 1 14 . 1 1 67 67 CYS H H 67 7.709 7.709 9.178 -1.469 25489 7864 1 14 . 1 1 68 68 GLY N N 68 116.255 116.255 117.652 -1.397 25489 7865 1 14 . 1 1 68 68 GLY H H 68 9.707 9.707 8.925 0.782 25489 7866 1 14 . 1 1 69 69 VAL N N 69 126.541 126.541 116.499 10.042 25489 7867 1 14 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.635 -0.828 25489 7868 1 14 . 1 1 69 69 VAL H H 69 9.118 9.118 7.302 1.816 25489 7869 1 14 . 1 1 71 71 ASP N N 71 119.114 119.114 121.680 -2.566 25489 7870 1 14 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.323 0.160 25489 7871 1 14 . 1 1 71 71 ASP H H 71 8.067 8.067 8.452 -0.385 25489 7872 1 14 . 1 1 72 72 VAL N N 72 112.988 112.988 116.159 -3.171 25489 7873 1 14 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.968 0.313 25489 7874 1 14 . 1 1 72 72 VAL H H 72 6.438 6.438 7.435 -0.997 25489 7875 1 14 . 1 1 73 73 ALA N N 73 125.902 125.902 128.098 -2.196 25489 7876 1 14 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.540 -0.273 25489 7877 1 14 . 1 1 73 73 ALA H H 73 8.171 8.171 6.727 1.444 25489 7878 1 14 . 1 1 74 74 GLU N N 74 120.835 120.835 122.943 -2.108 25489 7879 1 14 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.294 -0.211 25489 7880 1 14 . 1 1 74 74 GLU H H 74 8.385 8.385 8.140 0.245 25489 7881 1 14 . 1 1 75 75 TYR N N 75 121.820 121.820 120.502 1.318 25489 7882 1 14 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.851 -0.457 25489 7883 1 14 . 1 1 75 75 TYR H H 75 8.102 8.102 7.182 0.920 25489 7884 1 14 . 1 1 76 76 SER N N 76 117.881 117.881 117.234 0.647 25489 7885 1 14 . 1 1 76 76 SER H H 76 7.718 7.718 8.739 -1.021 25489 7886 1 14 . 1 1 77 77 LEU N N 77 123.835 123.835 123.102 0.733 25489 7887 1 14 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.109 -0.017 25489 7888 1 14 . 1 1 77 77 LEU H H 77 8.033 8.033 8.597 -0.564 25489 7889 1 14 . 1 1 78 78 PHE N N 78 118.893 118.893 122.952 -4.059 25489 7890 1 14 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.407 0.438 25489 7891 1 14 . 1 1 78 78 PHE H H 78 7.822 7.822 7.759 0.063 25489 7892 1 14 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.145 0.186 25489 7893 1 14 . 1 1 80 80 ASN N N 80 118.184 118.184 119.784 -1.600 25489 7894 1 14 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.742 -0.062 25489 7895 1 14 . 1 1 80 80 ASN H H 80 8.106 8.106 8.112 -0.006 25489 7896 1 14 . 1 1 81 81 SER HA H 81 4.636 4.636 4.902 -0.266 25489 7897 1 14 . 1 1 83 83 LYS N N 83 114.696 114.696 113.948 0.748 25489 7898 1 14 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.643 -0.420 25489 7899 1 14 . 1 1 83 83 LYS H H 83 7.361 7.361 7.247 0.114 25489 7900 1 14 . 1 1 84 84 TRP N N 84 122.459 122.459 123.894 -1.435 25489 7901 1 14 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.811 -0.808 25489 7902 1 14 . 1 1 84 84 TRP H H 84 8.020 8.020 8.716 -0.696 25489 7903 1 14 . 1 1 85 85 THR N N 85 113.482 113.482 119.875 -6.393 25489 7904 1 14 . 1 1 85 85 THR HA H 85 4.586 4.586 4.320 0.266 25489 7905 1 14 . 1 1 85 85 THR H H 85 8.833 8.833 7.806 1.027 25489 7906 1 14 . 1 1 86 86 SER N N 86 117.316 117.316 115.944 1.372 25489 7907 1 14 . 1 1 86 86 SER HA H 86 4.665 4.665 4.291 0.374 25489 7908 1 14 . 1 1 86 86 SER H H 86 7.724 7.724 7.044 0.680 25489 7909 1 14 . 1 1 87 87 LYS N N 87 120.411 120.411 122.868 -2.457 25489 7910 1 14 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.176 -0.037 25489 7911 1 14 . 1 1 87 87 LYS H H 87 8.312 8.312 8.663 -0.351 25489 7912 1 14 . 1 1 88 88 VAL N N 88 117.674 117.674 111.147 6.527 25489 7913 1 14 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.453 0.198 25489 7914 1 14 . 1 1 88 88 VAL H H 88 7.425 7.425 7.506 -0.081 25489 7915 1 14 . 1 1 89 89 VAL N N 89 131.493 131.493 125.759 5.734 25489 7916 1 14 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.484 -0.343 25489 7917 1 14 . 1 1 89 89 VAL H H 89 8.574 8.574 8.907 -0.333 25489 7918 1 14 . 1 1 90 90 THR N N 90 118.245 118.245 119.752 -1.507 25489 7919 1 14 . 1 1 90 90 THR HA H 90 5.627 5.627 5.604 0.023 25489 7920 1 14 . 1 1 90 90 THR H H 90 9.021 9.021 8.444 0.577 25489 7921 1 14 . 1 1 91 91 TYR N N 91 118.267 118.267 118.977 -0.710 25489 7922 1 14 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.392 0.282 25489 7923 1 14 . 1 1 91 91 TYR H H 91 8.555 8.555 8.838 -0.283 25489 7924 1 14 . 1 1 92 92 ARG N N 92 120.260 120.260 124.080 -3.820 25489 7925 1 14 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.883 -0.237 25489 7926 1 14 . 1 1 92 92 ARG H H 92 8.513 8.513 8.782 -0.269 25489 7927 1 14 . 1 1 93 93 ILE N N 93 128.361 128.361 128.806 -0.445 25489 7928 1 14 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.487 0.132 25489 7929 1 14 . 1 1 93 93 ILE H H 93 8.878 8.878 9.217 -0.339 25489 7930 1 14 . 1 1 94 94 VAL N N 94 126.374 126.374 122.971 3.403 25489 7931 1 14 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.201 -0.201 25489 7932 1 14 . 1 1 94 94 VAL H H 94 9.492 9.492 8.563 0.929 25489 7933 1 14 . 1 1 95 95 SER N N 95 113.303 113.303 114.148 -0.845 25489 7934 1 14 . 1 1 95 95 SER HA H 95 4.705 4.705 4.710 -0.005 25489 7935 1 14 . 1 1 95 95 SER H H 95 7.431 7.431 7.550 -0.119 25489 7936 1 14 . 1 1 96 96 TYR N N 96 117.054 117.054 119.666 -2.612 25489 7937 1 14 . 1 1 96 96 TYR H H 96 8.255 8.255 8.304 -0.049 25489 7938 1 14 . 1 1 98 98 ARG N N 98 128.445 128.445 125.985 2.460 25489 7939 1 14 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.343 -0.005 25489 7940 1 14 . 1 1 98 98 ARG H H 98 8.964 8.964 8.796 0.168 25489 7941 1 14 . 1 1 99 99 ASP N N 99 120.412 120.412 118.501 1.911 25489 7942 1 14 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.659 -0.324 25489 7943 1 14 . 1 1 99 99 ASP H H 99 8.695 8.695 7.672 1.023 25489 7944 1 14 . 1 1 100 100 LEU N N 100 116.851 116.851 119.140 -2.289 25489 7945 1 14 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.599 0.334 25489 7946 1 14 . 1 1 100 100 LEU H H 100 6.902 6.902 7.104 -0.202 25489 7947 1 14 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.082 0.085 25489 7948 1 14 . 1 1 103 103 ILE N N 103 115.469 115.469 114.772 0.697 25489 7949 1 14 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.831 0.342 25489 7950 1 14 . 1 1 103 103 ILE H H 103 8.296 8.296 8.041 0.255 25489 7951 1 14 . 1 1 104 104 THR N N 104 119.413 119.413 116.906 2.507 25489 7952 1 14 . 1 1 104 104 THR HA H 104 4.019 4.019 4.028 -0.009 25489 7953 1 14 . 1 1 104 104 THR H H 104 6.915 6.915 7.738 -0.823 25489 7954 1 14 . 1 1 105 105 VAL N N 105 123.232 123.232 119.170 4.062 25489 7955 1 14 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.502 -0.088 25489 7956 1 14 . 1 1 105 105 VAL H H 105 7.379 7.379 7.539 -0.160 25489 7957 1 14 . 1 1 106 106 ASP N N 106 120.160 120.160 121.541 -1.381 25489 7958 1 14 . 1 1 106 106 ASP H H 106 8.615 8.615 8.036 0.579 25489 7959 1 14 . 1 1 107 107 ARG N N 107 121.041 121.041 119.166 1.875 25489 7960 1 14 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.020 0.070 25489 7961 1 14 . 1 1 107 107 ARG H H 107 8.372 8.372 7.931 0.441 25489 7962 1 14 . 1 1 108 108 LEU N N 108 121.644 121.644 119.850 1.794 25489 7963 1 14 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.020 0.233 25489 7964 1 14 . 1 1 108 108 LEU H H 108 8.768 8.768 8.363 0.405 25489 7965 1 14 . 1 1 109 109 VAL N N 109 120.347 120.347 119.782 0.565 25489 7966 1 14 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.605 -0.234 25489 7967 1 14 . 1 1 109 109 VAL H H 109 8.762 8.762 8.329 0.433 25489 7968 1 14 . 1 1 110 110 SER N N 110 112.949 112.949 115.422 -2.473 25489 7969 1 14 . 1 1 110 110 SER HA H 110 4.270 4.270 3.975 0.295 25489 7970 1 14 . 1 1 110 110 SER H H 110 7.605 7.605 8.263 -0.658 25489 7971 1 14 . 1 1 111 111 LYS N N 111 122.434 122.434 121.409 1.025 25489 7972 1 14 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.080 -0.038 25489 7973 1 14 . 1 1 111 111 LYS H H 111 8.146 8.146 7.954 0.192 25489 7974 1 14 . 1 1 112 112 ALA N N 112 124.099 124.099 122.683 1.416 25489 7975 1 14 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.796 0.281 25489 7976 1 14 . 1 1 112 112 ALA H H 112 8.270 8.270 7.470 0.800 25489 7977 1 14 . 1 1 113 113 LEU N N 113 116.251 116.251 118.116 -1.865 25489 7978 1 14 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.584 0.138 25489 7979 1 14 . 1 1 113 113 LEU H H 113 8.019 8.019 7.894 0.125 25489 7980 1 14 . 1 1 114 114 ASN N N 114 116.659 116.659 115.111 1.548 25489 7981 1 14 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.588 -0.059 25489 7982 1 14 . 1 1 114 114 ASN H H 114 8.197 8.197 7.983 0.214 25489 7983 1 14 . 1 1 115 115 MET N N 115 122.118 122.118 120.190 1.928 25489 7984 1 14 . 1 1 115 115 MET HA H 115 4.013 4.013 4.187 -0.174 25489 7985 1 14 . 1 1 115 115 MET H H 115 7.918 7.918 7.556 0.362 25489 7986 1 14 . 1 1 116 116 TRP N N 116 117.117 117.117 118.100 -0.983 25489 7987 1 14 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.563 -0.053 25489 7988 1 14 . 1 1 116 116 TRP H H 116 6.773 6.773 7.903 -1.130 25489 7989 1 14 . 1 1 117 117 GLY N N 117 104.656 104.656 106.439 -1.783 25489 7990 1 14 . 1 1 117 117 GLY H H 117 9.305 9.305 8.099 1.206 25489 7991 1 14 . 1 1 118 118 LYS N N 118 118.567 118.567 119.482 -0.915 25489 7992 1 14 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.243 -0.066 25489 7993 1 14 . 1 1 118 118 LYS H H 118 7.947 7.947 7.561 0.386 25489 7994 1 14 . 1 1 119 119 GLU N N 119 113.899 113.899 117.358 -3.459 25489 7995 1 14 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.396 0.412 25489 7996 1 14 . 1 1 119 119 GLU H H 119 7.773 7.773 7.740 0.033 25489 7997 1 14 . 1 1 120 120 ILE N N 120 111.215 111.215 121.247 -10.032 25489 7998 1 14 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.537 0.784 25489 7999 1 14 . 1 1 120 120 ILE H H 120 7.528 7.528 7.946 -0.418 25489 8000 1 14 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.506 0.115 25489 8001 1 14 . 1 1 122 122 LEU N N 122 121.481 121.481 119.156 2.325 25489 8002 1 14 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.783 -0.491 25489 8003 1 14 . 1 1 122 122 LEU H H 122 6.815 6.815 7.764 -0.949 25489 8004 1 14 . 1 1 123 123 HIS N N 123 120.769 120.769 120.257 0.512 25489 8005 1 14 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.841 -0.249 25489 8006 1 14 . 1 1 123 123 HIS H H 123 7.709 7.709 8.420 -0.711 25489 8007 1 14 . 1 1 124 124 PHE N N 124 120.530 120.530 119.665 0.865 25489 8008 1 14 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.035 0.777 25489 8009 1 14 . 1 1 124 124 PHE H H 124 8.306 8.306 7.720 0.586 25489 8010 1 14 . 1 1 125 125 ARG N N 125 123.891 123.891 123.490 0.401 25489 8011 1 14 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.726 -0.073 25489 8012 1 14 . 1 1 125 125 ARG H H 125 8.408 8.408 9.073 -0.665 25489 8013 1 14 . 1 1 126 126 LYS N N 126 130.178 130.178 125.822 4.356 25489 8014 1 14 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.405 -0.044 25489 8015 1 14 . 1 1 126 126 LYS H H 126 8.468 8.468 8.617 -0.149 25489 8016 1 14 . 1 1 127 127 VAL N N 127 125.180 125.180 126.726 -1.546 25489 8017 1 14 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.293 0.215 25489 8018 1 14 . 1 1 127 127 VAL H H 127 8.679 8.679 8.190 0.489 25489 8019 1 14 . 1 1 128 128 VAL N N 128 117.584 117.584 117.362 0.222 25489 8020 1 14 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.523 -0.237 25489 8021 1 14 . 1 1 128 128 VAL H H 128 8.469 8.469 8.325 0.144 25489 8022 1 14 . 1 1 129 129 TRP N N 129 119.805 119.805 119.244 0.561 25489 8023 1 14 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.594 0.092 25489 8024 1 14 . 1 1 129 129 TRP H H 129 7.447 7.447 7.554 -0.107 25489 8025 1 14 . 1 1 130 130 GLY N N 130 109.844 109.844 113.777 -3.933 25489 8026 1 14 . 1 1 130 130 GLY H H 130 8.072 8.072 7.643 0.429 25489 8027 1 14 . 1 1 131 131 THR N N 131 116.125 116.125 113.193 2.932 25489 8028 1 14 . 1 1 131 131 THR HA H 131 4.123 4.123 4.174 -0.051 25489 8029 1 14 . 1 1 131 131 THR H H 131 8.196 8.196 8.060 0.136 25489 8030 1 14 . 1 1 132 132 ALA N N 132 129.613 129.613 130.604 -0.991 25489 8031 1 14 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.486 0.025 25489 8032 1 14 . 1 1 132 132 ALA H H 132 7.919 7.919 8.225 -0.306 25489 8033 1 14 . 1 1 133 133 ASP N N 133 123.004 123.004 120.757 2.247 25489 8034 1 14 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.671 -0.229 25489 8035 1 14 . 1 1 133 133 ASP H H 133 8.248 8.248 8.370 -0.122 25489 8036 1 14 . 1 1 134 134 ILE N N 134 125.478 125.478 122.077 3.401 25489 8037 1 14 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.207 -0.114 25489 8038 1 14 . 1 1 134 134 ILE H H 134 8.804 8.804 7.699 1.105 25489 8039 1 14 . 1 1 135 135 MET N N 135 127.471 127.471 127.999 -0.528 25489 8040 1 14 . 1 1 135 135 MET HA H 135 5.194 5.194 5.197 -0.003 25489 8041 1 14 . 1 1 135 135 MET H H 135 7.437 7.437 8.886 -1.449 25489 8042 1 14 . 1 1 136 136 ILE N N 136 125.040 125.040 124.616 0.424 25489 8043 1 14 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.383 1.194 25489 8044 1 14 . 1 1 136 136 ILE H H 136 9.085 9.085 8.377 0.708 25489 8045 1 14 . 1 1 137 137 GLY N N 137 112.059 112.059 112.463 -0.404 25489 8046 1 14 . 1 1 137 137 GLY H H 137 8.568 8.568 7.870 0.698 25489 8047 1 14 . 1 1 138 138 PHE N N 138 119.447 119.447 119.730 -0.283 25489 8048 1 14 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.374 0.080 25489 8049 1 14 . 1 1 138 138 PHE H H 138 7.861 7.861 8.187 -0.326 25489 8050 1 14 . 1 1 139 139 ALA N N 139 123.657 123.657 124.241 -0.584 25489 8051 1 14 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.533 0.202 25489 8052 1 14 . 1 1 139 139 ALA H H 139 8.939 8.939 8.277 0.662 25489 8053 1 14 . 1 1 140 140 ARG N N 140 118.688 118.688 119.674 -0.986 25489 8054 1 14 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.732 0.342 25489 8055 1 14 . 1 1 140 140 ARG H H 140 8.563 8.563 8.458 0.105 25489 8056 1 14 . 1 1 141 141 GLY N N 141 108.964 108.964 105.929 3.035 25489 8057 1 14 . 1 1 141 141 GLY H H 141 9.018 9.018 8.585 0.433 25489 8058 1 14 . 1 1 143 143 HIS N N 143 120.218 120.218 114.552 5.666 25489 8059 1 14 . 1 1 143 143 HIS H H 143 8.998 8.998 8.108 0.890 25489 8060 1 14 . 1 1 145 145 ASP N N 145 117.684 117.684 118.811 -1.127 25489 8061 1 14 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.466 0.234 25489 8062 1 14 . 1 1 145 145 ASP H H 145 7.088 7.088 8.345 -1.258 25489 8063 1 14 . 1 1 146 146 SER HA H 146 4.140 4.140 4.271 -0.131 25489 8064 1 14 . 1 1 146 146 SER H H 146 8.220 8.220 7.223 0.997 25489 8065 1 14 . 1 1 147 147 TYR N N 147 120.867 120.867 125.613 -4.746 25489 8066 1 14 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.216 0.572 25489 8067 1 14 . 1 1 147 147 TYR H H 147 7.459 7.459 8.785 -1.326 25489 8068 1 14 . 1 1 149 149 PHE N N 149 120.630 120.630 122.026 -1.396 25489 8069 1 14 . 1 1 149 149 PHE H H 149 8.018 8.018 8.684 -0.666 25489 8070 1 14 . 1 1 150 150 ASP N N 150 115.626 115.626 117.349 -1.723 25489 8071 1 14 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.611 0.232 25489 8072 1 14 . 1 1 150 150 ASP H H 150 7.543 7.543 7.976 -0.433 25489 8073 1 14 . 1 1 151 151 GLY N N 151 110.700 110.700 109.036 1.664 25489 8074 1 14 . 1 1 151 151 GLY H H 151 9.074 9.074 8.343 0.731 25489 8075 1 14 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.259 -0.233 25489 8076 1 14 . 1 1 153 153 GLY N N 153 118.786 118.786 115.802 2.984 25489 8077 1 14 . 1 1 153 153 GLY H H 153 11.385 11.385 8.066 3.319 25489 8078 1 14 . 1 1 154 154 ASN N N 154 120.613 120.613 123.631 -3.018 25489 8079 1 14 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.431 -0.233 25489 8080 1 14 . 1 1 154 154 ASN H H 154 9.225 9.225 8.529 0.696 25489 8081 1 14 . 1 1 155 155 THR N N 155 118.700 118.700 114.180 4.520 25489 8082 1 14 . 1 1 155 155 THR HA H 155 5.542 5.542 4.126 1.416 25489 8083 1 14 . 1 1 155 155 THR H H 155 9.519 9.519 8.514 1.005 25489 8084 1 14 . 1 1 156 156 LEU N N 156 122.765 122.765 124.052 -1.287 25489 8085 1 14 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.558 0.384 25489 8086 1 14 . 1 1 156 156 LEU H H 156 8.500 8.500 8.291 0.209 25489 8087 1 14 . 1 1 157 157 ALA N N 157 115.545 115.545 116.790 -1.245 25489 8088 1 14 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.719 0.288 25489 8089 1 14 . 1 1 157 157 ALA H H 157 7.545 7.545 7.456 0.089 25489 8090 1 14 . 1 1 158 158 HIS N N 158 111.868 111.868 115.197 -3.329 25489 8091 1 14 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.156 -0.539 25489 8092 1 14 . 1 1 158 158 HIS H H 158 8.774 8.774 8.998 -0.224 25489 8093 1 14 . 1 1 159 159 ALA N N 159 118.565 118.565 120.769 -2.204 25489 8094 1 14 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.813 -0.156 25489 8095 1 14 . 1 1 159 159 ALA H H 159 6.114 6.114 8.153 -2.039 25489 8096 1 14 . 1 1 160 160 PHE N N 160 118.042 118.042 119.337 -1.295 25489 8097 1 14 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.816 -0.335 25489 8098 1 14 . 1 1 160 160 PHE H H 160 7.897 7.897 7.933 -0.036 25489 8099 1 14 . 1 1 161 161 ALA N N 161 123.548 123.548 125.506 -1.958 25489 8100 1 14 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.348 0.135 25489 8101 1 14 . 1 1 161 161 ALA H H 161 8.089 8.089 8.570 -0.481 25489 8102 1 14 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.435 -1.564 25489 8103 1 14 . 1 1 163 163 GLY N N 163 107.255 107.255 111.006 -3.751 25489 8104 1 14 . 1 1 163 163 GLY H H 163 5.992 5.992 7.705 -1.713 25489 8105 1 14 . 1 1 165 165 GLY H H 165 9.149 9.149 8.317 0.832 25489 8106 1 14 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.037 0.116 25489 8107 1 14 . 1 1 167 167 GLY N N 167 103.338 103.338 103.219 0.119 25489 8108 1 14 . 1 1 167 167 GLY H H 167 7.774 7.774 7.321 0.453 25489 8109 1 14 . 1 1 168 168 GLY N N 168 121.031 121.031 108.590 12.441 25489 8110 1 14 . 1 1 168 168 GLY H H 168 7.685 7.685 7.982 -0.297 25489 8111 1 14 . 1 1 169 169 ASP N N 169 123.703 123.703 123.742 -0.039 25489 8112 1 14 . 1 1 169 169 ASP H H 169 8.578 8.578 7.875 0.703 25489 8113 1 14 . 1 1 170 170 ALA N N 170 119.569 119.569 124.107 -4.538 25489 8114 1 14 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.854 -0.150 25489 8115 1 14 . 1 1 170 170 ALA H H 170 8.371 8.371 7.914 0.457 25489 8116 1 14 . 1 1 171 171 HIS N N 171 120.286 120.286 119.268 1.018 25489 8117 1 14 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.689 1.041 25489 8118 1 14 . 1 1 171 171 HIS H H 171 8.513 8.513 8.105 0.408 25489 8119 1 14 . 1 1 172 172 PHE N N 172 120.919 120.919 123.899 -2.980 25489 8120 1 14 . 1 1 172 172 PHE H H 172 8.457 8.457 8.172 0.285 25489 8121 1 14 . 1 1 173 173 ASP N N 173 123.993 123.993 122.508 1.485 25489 8122 1 14 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.982 -1.086 25489 8123 1 14 . 1 1 173 173 ASP H H 173 7.915 7.915 9.167 -1.252 25489 8124 1 14 . 1 1 174 174 GLU N N 174 132.684 132.684 124.003 8.681 25489 8125 1 14 . 1 1 174 174 GLU H H 174 9.461 9.461 9.005 0.456 25489 8126 1 14 . 1 1 175 175 ASP N N 175 117.313 117.313 117.246 0.067 25489 8127 1 14 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.630 0.167 25489 8128 1 14 . 1 1 175 175 ASP H H 175 8.756 8.756 7.906 0.850 25489 8129 1 14 . 1 1 176 176 GLU N N 176 116.511 116.511 119.984 -3.473 25489 8130 1 14 . 1 1 176 176 GLU H H 176 7.154 7.154 8.016 -0.862 25489 8131 1 14 . 1 1 177 177 ARG N N 177 121.920 121.920 123.044 -1.124 25489 8132 1 14 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.404 0.221 25489 8133 1 14 . 1 1 177 177 ARG H H 177 7.555 7.555 8.168 -0.613 25489 8134 1 14 . 1 1 178 178 TRP N N 178 129.182 129.182 127.348 1.834 25489 8135 1 14 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.681 -0.568 25489 8136 1 14 . 1 1 178 178 TRP H H 178 8.788 8.788 9.139 -0.351 25489 8137 1 14 . 1 1 179 179 THR N N 179 112.874 112.874 115.120 -2.246 25489 8138 1 14 . 1 1 179 179 THR HA H 179 5.015 5.015 4.720 0.295 25489 8139 1 14 . 1 1 179 179 THR H H 179 8.946 8.946 9.059 -0.113 25489 8140 1 14 . 1 1 180 180 ASP N N 180 121.969 121.969 125.006 -3.037 25489 8141 1 14 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.767 -0.345 25489 8142 1 14 . 1 1 180 180 ASP H H 180 8.478 8.478 8.662 -0.184 25489 8143 1 14 . 1 1 181 181 GLY N N 181 110.059 110.059 107.518 2.541 25489 8144 1 14 . 1 1 181 181 GLY H H 181 8.572 8.572 8.319 0.253 25489 8145 1 14 . 1 1 182 182 SER N N 182 115.564 115.564 116.890 -1.326 25489 8146 1 14 . 1 1 182 182 SER HA H 182 4.599 4.599 4.530 0.069 25489 8147 1 14 . 1 1 182 182 SER H H 182 8.173 8.173 7.904 0.269 25489 8148 1 14 . 1 1 183 183 SER N N 183 117.066 117.066 114.724 2.342 25489 8149 1 14 . 1 1 183 183 SER H H 183 7.819 7.819 8.413 -0.594 25489 8150 1 14 . 1 1 184 184 LEU N N 184 121.954 121.954 123.031 -1.077 25489 8151 1 14 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.172 0.190 25489 8152 1 14 . 1 1 184 184 LEU H H 184 8.104 8.104 7.404 0.700 25489 8153 1 14 . 1 1 185 185 GLY N N 185 108.989 108.989 104.358 4.631 25489 8154 1 14 . 1 1 185 185 GLY H H 185 7.954 7.954 7.252 0.702 25489 8155 1 14 . 1 1 186 186 ILE N N 186 123.084 123.084 119.429 3.655 25489 8156 1 14 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.608 0.171 25489 8157 1 14 . 1 1 186 186 ILE H H 186 8.878 8.878 8.143 0.735 25489 8158 1 14 . 1 1 187 187 ASN N N 187 126.999 126.999 123.691 3.308 25489 8159 1 14 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.657 -0.261 25489 8160 1 14 . 1 1 187 187 ASN H H 187 8.575 8.575 7.164 1.411 25489 8161 1 14 . 1 1 188 188 PHE N N 188 129.819 129.819 128.317 1.502 25489 8162 1 14 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.196 0.395 25489 8163 1 14 . 1 1 188 188 PHE H H 188 9.365 9.365 9.115 0.250 25489 8164 1 14 . 1 1 189 189 LEU N N 189 119.292 119.292 120.306 -1.014 25489 8165 1 14 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.757 0.076 25489 8166 1 14 . 1 1 189 189 LEU H H 189 8.551 8.551 7.911 0.640 25489 8167 1 14 . 1 1 191 191 ALA N N 191 120.347 120.347 119.713 0.634 25489 8168 1 14 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.333 -0.036 25489 8169 1 14 . 1 1 191 191 ALA H H 191 7.973 7.973 7.777 0.196 25489 8170 1 14 . 1 1 192 192 ALA N N 192 121.365 121.365 121.760 -0.395 25489 8171 1 14 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.067 -0.050 25489 8172 1 14 . 1 1 192 192 ALA H H 192 9.258 9.258 8.196 1.062 25489 8173 1 14 . 1 1 193 193 THR N N 193 117.027 117.027 113.198 3.829 25489 8174 1 14 . 1 1 193 193 THR HA H 193 3.825 3.825 3.675 0.150 25489 8175 1 14 . 1 1 193 193 THR H H 193 8.209 8.209 8.233 -0.024 25489 8176 1 14 . 1 1 194 194 HIS N N 194 120.231 120.231 122.268 -2.037 25489 8177 1 14 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.374 -0.141 25489 8178 1 14 . 1 1 194 194 HIS H H 194 7.805 7.805 8.559 -0.754 25489 8179 1 14 . 1 1 195 195 ALA N N 195 121.346 121.346 118.843 2.503 25489 8180 1 14 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.318 -0.138 25489 8181 1 14 . 1 1 195 195 ALA H H 195 8.693 8.693 7.751 0.942 25489 8182 1 14 . 1 1 196 196 LEU N N 196 114.951 114.951 116.602 -1.651 25489 8183 1 14 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.183 -0.025 25489 8184 1 14 . 1 1 196 196 LEU H H 196 8.714 8.714 7.715 0.999 25489 8185 1 14 . 1 1 197 197 GLY N N 197 107.954 107.954 107.598 0.356 25489 8186 1 14 . 1 1 197 197 GLY H H 197 7.540 7.540 8.072 -0.532 25489 8187 1 14 . 1 1 198 198 HIS N N 198 121.996 121.996 118.723 3.273 25489 8188 1 14 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.556 0.253 25489 8189 1 14 . 1 1 198 198 HIS H H 198 7.205 7.205 7.073 0.132 25489 8190 1 14 . 1 1 199 199 SER N N 199 118.570 118.570 115.329 3.241 25489 8191 1 14 . 1 1 199 199 SER HA H 199 4.448 4.448 4.287 0.161 25489 8192 1 14 . 1 1 199 199 SER H H 199 7.886 7.886 8.346 -0.460 25489 8193 1 14 . 1 1 200 200 LEU N N 200 114.779 114.779 117.834 -3.055 25489 8194 1 14 . 1 1 200 200 LEU H H 200 7.106 7.106 7.755 -0.649 25489 8195 1 14 . 1 1 201 201 GLY N N 201 108.350 108.350 104.167 4.183 25489 8196 1 14 . 1 1 201 201 GLY H H 201 8.213 8.213 7.811 0.402 25489 8197 1 14 . 1 1 202 202 MET N N 202 119.623 119.623 120.978 -1.355 25489 8198 1 14 . 1 1 202 202 MET HA H 202 4.484 4.484 4.069 0.415 25489 8199 1 14 . 1 1 202 202 MET H H 202 8.189 8.189 8.298 -0.109 25489 8200 1 14 . 1 1 203 203 GLY N N 203 109.770 109.770 106.650 3.120 25489 8201 1 14 . 1 1 203 203 GLY H H 203 8.413 8.413 8.130 0.283 25489 8202 1 14 . 1 1 204 204 HIS N N 204 115.793 115.793 116.361 -0.568 25489 8203 1 14 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.923 0.451 25489 8204 1 14 . 1 1 204 204 HIS H H 204 8.383 8.383 8.402 -0.019 25489 8205 1 14 . 1 1 205 205 SER N N 205 115.497 115.497 114.858 0.639 25489 8206 1 14 . 1 1 205 205 SER HA H 205 4.721 4.721 4.800 -0.079 25489 8207 1 14 . 1 1 205 205 SER H H 205 7.223 7.223 8.196 -0.973 25489 8208 1 14 . 1 1 206 206 SER N N 206 119.268 119.268 114.325 4.943 25489 8209 1 14 . 1 1 206 206 SER HA H 206 3.721 3.721 4.317 -0.596 25489 8210 1 14 . 1 1 206 206 SER H H 206 8.290 8.290 8.459 -0.169 25489 8211 1 14 . 1 1 207 207 ASP N N 207 126.656 126.656 122.869 3.787 25489 8212 1 14 . 1 1 207 207 ASP H H 207 8.541 8.541 8.078 0.463 25489 8213 1 14 . 1 1 209 209 ASN N N 209 115.911 115.911 115.762 0.149 25489 8214 1 14 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.901 -0.285 25489 8215 1 14 . 1 1 209 209 ASN H H 209 8.374 8.374 8.457 -0.083 25489 8216 1 14 . 1 1 210 210 ALA N N 210 124.929 124.929 122.459 2.470 25489 8217 1 14 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.507 -0.353 25489 8218 1 14 . 1 1 210 210 ALA H H 210 8.182 8.182 7.448 0.734 25489 8219 1 14 . 1 1 211 211 VAL N N 211 130.383 130.383 123.369 7.014 25489 8220 1 14 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.912 0.338 25489 8221 1 14 . 1 1 211 211 VAL H H 211 11.554 11.554 9.298 2.256 25489 8222 1 14 . 1 1 212 212 MET N N 212 113.319 113.319 116.145 -2.826 25489 8223 1 14 . 1 1 212 212 MET H H 212 7.741 7.741 8.894 -1.153 25489 8224 1 14 . 1 1 213 213 TYR N N 213 130.006 130.006 122.415 7.591 25489 8225 1 14 . 1 1 213 213 TYR H H 213 7.899 7.899 7.347 0.552 25489 8226 1 14 . 1 1 215 215 THR N N 215 104.747 104.747 108.718 -3.971 25489 8227 1 14 . 1 1 215 215 THR HA H 215 4.404 4.404 4.573 -0.169 25489 8228 1 14 . 1 1 215 215 THR H H 215 6.402 6.402 7.499 -1.097 25489 8229 1 14 . 1 1 216 216 TYR N N 216 124.699 124.699 123.542 1.157 25489 8230 1 14 . 1 1 216 216 TYR H H 216 8.341 8.341 8.618 -0.277 25489 8231 1 14 . 1 1 217 217 GLY N N 217 116.288 116.288 112.478 3.810 25489 8232 1 14 . 1 1 217 217 GLY H H 217 7.685 7.685 7.570 0.115 25489 8233 1 14 . 1 1 218 218 ASN N N 218 119.920 119.920 116.222 3.698 25489 8234 1 14 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.293 0.327 25489 8235 1 14 . 1 1 218 218 ASN H H 218 8.221 8.221 8.443 -0.222 25489 8236 1 14 . 1 1 219 219 GLY N N 219 109.601 109.601 108.805 0.796 25489 8237 1 14 . 1 1 219 219 GLY H H 219 8.072 8.072 7.381 0.691 25489 8238 1 14 . 1 1 220 220 ASP N N 220 123.006 123.006 122.246 0.760 25489 8239 1 14 . 1 1 220 220 ASP H H 220 8.280 8.280 8.466 -0.186 25489 8240 1 14 . 1 1 222 222 GLN N N 222 116.642 116.642 121.611 -4.969 25489 8241 1 14 . 1 1 222 222 GLN H H 222 8.215 8.215 8.662 -0.447 25489 8242 1 14 . 1 1 223 223 ASN N N 223 118.361 118.361 115.517 2.844 25489 8243 1 14 . 1 1 223 223 ASN H H 223 7.970 7.970 8.282 -0.312 25489 8244 1 14 . 1 1 225 225 LYS N N 225 122.215 122.215 124.898 -2.683 25489 8245 1 14 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.402 0.014 25489 8246 1 14 . 1 1 225 225 LYS H H 225 7.656 7.656 7.293 0.363 25489 8247 1 14 . 1 1 226 226 LEU N N 226 119.165 119.165 122.036 -2.871 25489 8248 1 14 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.506 -0.418 25489 8249 1 14 . 1 1 226 226 LEU H H 226 7.984 7.984 8.217 -0.233 25489 8250 1 14 . 1 1 227 227 SER N N 227 120.520 120.520 119.352 1.168 25489 8251 1 14 . 1 1 227 227 SER HA H 227 4.676 4.676 4.538 0.138 25489 8252 1 14 . 1 1 227 227 SER H H 227 9.646 9.646 9.441 0.205 25489 8253 1 14 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.136 0.538 25489 8254 1 14 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.672 -0.298 25489 8255 1 14 . 1 1 229 229 ASP H H 229 8.113 8.113 8.299 -0.186 25489 8256 1 14 . 1 1 230 230 ASP N N 230 119.878 119.878 122.245 -2.367 25489 8257 1 14 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.529 -0.191 25489 8258 1 14 . 1 1 230 230 ASP H H 230 7.397 7.397 8.014 -0.617 25489 8259 1 14 . 1 1 231 231 ILE N N 231 120.389 120.389 119.547 0.842 25489 8260 1 14 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.600 0.055 25489 8261 1 14 . 1 1 231 231 ILE H H 231 8.100 8.100 8.013 0.087 25489 8262 1 14 . 1 1 232 232 LYS N N 232 119.084 119.084 118.874 0.210 25489 8263 1 14 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.018 0.077 25489 8264 1 14 . 1 1 232 232 LYS H H 232 8.581 8.581 7.427 1.154 25489 8265 1 14 . 1 1 233 233 GLY N N 233 106.424 106.424 106.127 0.297 25489 8266 1 14 . 1 1 233 233 GLY H H 233 8.061 8.061 7.845 0.216 25489 8267 1 14 . 1 1 234 234 ILE N N 234 125.166 125.166 123.283 1.883 25489 8268 1 14 . 1 1 234 234 ILE H H 234 8.517 8.517 7.213 1.304 25489 8269 1 14 . 1 1 235 235 GLN N N 235 122.969 122.969 117.376 5.593 25489 8270 1 14 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.318 1.063 25489 8271 1 14 . 1 1 235 235 GLN H H 235 8.291 8.291 8.201 0.090 25489 8272 1 14 . 1 1 236 236 LYS N N 236 123.770 123.770 119.098 4.672 25489 8273 1 14 . 1 1 236 236 LYS H H 236 8.035 8.035 7.415 0.620 25489 8274 1 14 . 1 1 237 237 LEU N N 237 116.854 116.854 120.312 -3.458 25489 8275 1 14 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.044 -0.085 25489 8276 1 14 . 1 1 237 237 LEU H H 237 6.886 6.886 7.470 -0.584 25489 8277 1 14 . 1 1 238 238 TYR N N 238 112.132 112.132 113.042 -0.910 25489 8278 1 14 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.844 -0.218 25489 8279 1 14 . 1 1 238 238 TYR H H 238 7.459 7.459 6.868 0.591 25489 8280 1 14 . 1 1 239 239 GLY N N 239 110.898 110.898 108.964 1.934 25489 8281 1 14 . 1 1 239 239 GLY H H 239 8.442 8.442 7.444 0.998 25489 8282 1 14 . 1 1 240 240 LYS N N 240 114.400 114.400 121.314 -6.914 25489 8283 1 14 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.385 0.419 25489 8284 1 14 . 1 1 240 240 LYS H H 240 7.865 7.865 8.487 -0.622 25489 8285 1 14 . 1 1 241 241 ARG N N 241 123.851 123.851 123.506 0.345 25489 8286 1 14 . 1 1 241 241 ARG H H 241 7.760 7.760 8.607 -0.847 25489 8287 1 14 . 1 1 242 242 SER N N 242 135.647 135.647 115.957 19.690 25489 8288 1 14 . 1 1 242 242 SER H H 242 9.158 9.158 8.695 0.463 25489 8289 1 15 . 1 1 3 3 GLU N N 3 121.690 121.690 121.966 -0.276 25489 8290 1 15 . 1 1 3 3 GLU H H 3 8.332 8.332 8.091 0.241 25489 8291 1 15 . 1 1 4 4 ALA N N 4 124.526 124.526 120.136 4.390 25489 8292 1 15 . 1 1 4 4 ALA H H 4 8.111 8.111 8.064 0.047 25489 8293 1 15 . 1 1 5 5 GLY N N 5 108.229 108.229 106.416 1.813 25489 8294 1 15 . 1 1 5 5 GLY H H 5 8.286 8.286 8.398 -0.112 25489 8295 1 15 . 1 1 6 6 GLY N N 6 108.867 108.867 108.608 0.259 25489 8296 1 15 . 1 1 6 6 GLY H H 6 8.239 8.239 7.714 0.525 25489 8297 1 15 . 1 1 7 7 MET N N 7 119.984 119.984 122.406 -2.422 25489 8298 1 15 . 1 1 7 7 MET H H 7 8.044 8.044 7.714 0.330 25489 8299 1 15 . 1 1 8 8 SER N N 8 118.771 118.771 123.035 -4.264 25489 8300 1 15 . 1 1 8 8 SER HA H 8 4.239 4.239 4.568 -0.329 25489 8301 1 15 . 1 1 8 8 SER H H 8 8.738 8.738 8.671 0.067 25489 8302 1 15 . 1 1 9 9 GLU N N 9 122.551 122.551 120.793 1.758 25489 8303 1 15 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.200 0.052 25489 8304 1 15 . 1 1 9 9 GLU H H 9 8.919 8.919 9.045 -0.126 25489 8305 1 15 . 1 1 10 10 LEU N N 10 120.638 120.638 121.118 -0.480 25489 8306 1 15 . 1 1 10 10 LEU H H 10 8.017 8.017 7.830 0.187 25489 8307 1 15 . 1 1 11 11 GLN N N 11 119.889 119.889 118.147 1.742 25489 8308 1 15 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.011 0.123 25489 8309 1 15 . 1 1 11 11 GLN H H 11 7.807 7.807 7.772 0.035 25489 8310 1 15 . 1 1 12 12 TRP N N 12 120.951 120.951 122.018 -1.067 25489 8311 1 15 . 1 1 12 12 TRP H H 12 8.202 8.202 7.808 0.395 25489 8312 1 15 . 1 1 13 13 GLU N N 13 121.870 121.870 118.998 2.872 25489 8313 1 15 . 1 1 13 13 GLU H H 13 8.436 8.436 7.873 0.563 25489 8314 1 15 . 1 1 14 14 GLN N N 14 120.646 120.646 118.601 2.045 25489 8315 1 15 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.652 0.517 25489 8316 1 15 . 1 1 14 14 GLN H H 14 8.159 8.159 8.491 -0.332 25489 8317 1 15 . 1 1 15 15 ALA N N 15 123.216 123.216 122.375 0.841 25489 8318 1 15 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.849 0.489 25489 8319 1 15 . 1 1 15 15 ALA H H 15 8.355 8.355 7.546 0.809 25489 8320 1 15 . 1 1 16 16 GLN N N 16 117.766 117.766 118.186 -0.420 25489 8321 1 15 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.737 -0.032 25489 8322 1 15 . 1 1 16 16 GLN H H 16 8.440 8.440 7.733 0.707 25489 8323 1 15 . 1 1 17 17 ASP N N 17 120.090 120.090 119.027 1.063 25489 8324 1 15 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.352 0.111 25489 8325 1 15 . 1 1 17 17 ASP H H 17 7.899 7.899 7.407 0.492 25489 8326 1 15 . 1 1 18 18 TYR N N 18 122.296 122.296 118.837 3.459 25489 8327 1 15 . 1 1 18 18 TYR H H 18 8.264 8.264 8.253 0.011 25489 8328 1 15 . 1 1 19 19 LEU N N 19 117.675 117.675 120.032 -2.357 25489 8329 1 15 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.163 -0.038 25489 8330 1 15 . 1 1 19 19 LEU H H 19 8.687 8.687 8.553 0.134 25489 8331 1 15 . 1 1 20 20 LYS N N 20 124.620 124.620 117.307 7.313 25489 8332 1 15 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.376 -0.233 25489 8333 1 15 . 1 1 20 20 LYS H H 20 8.790 8.790 7.445 1.345 25489 8334 1 15 . 1 1 21 21 ARG N N 21 117.608 117.608 117.240 0.368 25489 8335 1 15 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.075 -0.378 25489 8336 1 15 . 1 1 21 21 ARG H H 21 7.835 7.835 7.569 0.266 25489 8337 1 15 . 1 1 22 22 PHE N N 22 112.136 112.136 119.183 -7.047 25489 8338 1 15 . 1 1 22 22 PHE H H 22 8.003 8.003 7.414 0.589 25489 8339 1 15 . 1 1 23 23 TYR N N 23 116.244 116.244 115.333 0.911 25489 8340 1 15 . 1 1 23 23 TYR H H 23 7.678 7.678 8.415 -0.737 25489 8341 1 15 . 1 1 24 24 LEU N N 24 115.582 115.582 117.577 -1.995 25489 8342 1 15 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.066 0.069 25489 8343 1 15 . 1 1 24 24 LEU H H 24 7.238 7.238 7.520 -0.282 25489 8344 1 15 . 1 1 25 25 TYR N N 25 119.996 119.996 122.855 -2.859 25489 8345 1 15 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.581 -0.176 25489 8346 1 15 . 1 1 25 25 TYR H H 25 7.826 7.826 8.507 -0.681 25489 8347 1 15 . 1 1 26 26 ASP N N 26 129.292 129.292 126.440 2.852 25489 8348 1 15 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.630 -0.169 25489 8349 1 15 . 1 1 26 26 ASP H H 26 8.121 8.121 8.614 -0.493 25489 8350 1 15 . 1 1 28 28 GLU N N 28 122.115 122.115 121.237 0.878 25489 8351 1 15 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.379 -0.098 25489 8352 1 15 . 1 1 28 28 GLU H H 28 8.262 8.262 8.005 0.257 25489 8353 1 15 . 1 1 29 29 THR N N 29 114.171 114.171 114.751 -0.580 25489 8354 1 15 . 1 1 29 29 THR HA H 29 4.222 4.222 4.406 -0.184 25489 8355 1 15 . 1 1 29 29 THR H H 29 7.496 7.496 7.591 -0.095 25489 8356 1 15 . 1 1 30 30 LYS N N 30 123.019 123.019 123.502 -0.483 25489 8357 1 15 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.259 -0.041 25489 8358 1 15 . 1 1 30 30 LYS H H 30 8.154 8.154 7.444 0.710 25489 8359 1 15 . 1 1 32 32 ALA N N 32 126.481 126.481 129.225 -2.744 25489 8360 1 15 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.112 0.139 25489 8361 1 15 . 1 1 32 32 ALA H H 32 8.424 8.424 8.916 -0.492 25489 8362 1 15 . 1 1 33 33 ASN N N 33 116.834 116.834 115.371 1.463 25489 8363 1 15 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.681 0.017 25489 8364 1 15 . 1 1 33 33 ASN H H 33 8.312 8.312 8.304 0.008 25489 8365 1 15 . 1 1 34 34 SER N N 34 116.960 116.960 117.516 -0.556 25489 8366 1 15 . 1 1 34 34 SER HA H 34 4.522 4.522 4.417 0.105 25489 8367 1 15 . 1 1 34 34 SER H H 34 8.112 8.112 7.589 0.523 25489 8368 1 15 . 1 1 35 35 LEU N N 35 125.335 125.335 123.375 1.960 25489 8369 1 15 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.816 -0.265 25489 8370 1 15 . 1 1 35 35 LEU H H 35 8.324 8.324 8.806 -0.482 25489 8371 1 15 . 1 1 36 36 GLU N N 36 119.302 119.302 119.659 -0.357 25489 8372 1 15 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.056 -0.113 25489 8373 1 15 . 1 1 36 36 GLU H H 36 8.239 8.239 8.169 0.070 25489 8374 1 15 . 1 1 37 37 ALA N N 37 120.683 120.683 120.067 0.616 25489 8375 1 15 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.198 -0.151 25489 8376 1 15 . 1 1 37 37 ALA H H 37 7.898 7.898 7.737 0.161 25489 8377 1 15 . 1 1 38 38 LYS N N 38 119.470 119.470 119.854 -0.384 25489 8378 1 15 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.039 0.294 25489 8379 1 15 . 1 1 38 38 LYS H H 38 8.217 8.217 7.804 0.413 25489 8380 1 15 . 1 1 39 39 LEU N N 39 122.664 122.664 119.223 3.441 25489 8381 1 15 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.064 -0.150 25489 8382 1 15 . 1 1 39 39 LEU H H 39 8.658 8.658 8.029 0.629 25489 8383 1 15 . 1 1 40 40 LYS N N 40 118.301 118.301 118.129 0.172 25489 8384 1 15 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.135 0.538 25489 8385 1 15 . 1 1 40 40 LYS H H 40 8.221 8.221 8.403 -0.182 25489 8386 1 15 . 1 1 41 41 GLU N N 41 121.462 121.462 121.144 0.318 25489 8387 1 15 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.202 -0.134 25489 8388 1 15 . 1 1 41 41 GLU H H 41 7.736 7.736 7.818 -0.082 25489 8389 1 15 . 1 1 42 42 MET N N 42 123.761 123.761 119.971 3.790 25489 8390 1 15 . 1 1 42 42 MET HA H 42 4.046 4.046 4.176 -0.130 25489 8391 1 15 . 1 1 42 42 MET H H 42 7.672 7.672 8.644 -0.972 25489 8392 1 15 . 1 1 43 43 GLN N N 43 120.035 120.035 117.075 2.960 25489 8393 1 15 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.193 -0.397 25489 8394 1 15 . 1 1 43 43 GLN H H 43 8.904 8.904 8.018 0.886 25489 8395 1 15 . 1 1 44 44 LYS N N 44 119.131 119.131 121.919 -2.788 25489 8396 1 15 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.093 -0.041 25489 8397 1 15 . 1 1 44 44 LYS H H 44 8.511 8.511 7.648 0.863 25489 8398 1 15 . 1 1 45 45 PHE N N 45 123.544 123.544 119.026 4.518 25489 8399 1 15 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.062 -0.212 25489 8400 1 15 . 1 1 45 45 PHE H H 45 8.438 8.438 8.277 0.161 25489 8401 1 15 . 1 1 46 46 PHE N N 46 112.789 112.789 114.885 -2.096 25489 8402 1 15 . 1 1 46 46 PHE HA H 46 4.582 4.582 5.030 -0.448 25489 8403 1 15 . 1 1 46 46 PHE H H 46 8.273 8.273 7.475 0.798 25489 8404 1 15 . 1 1 47 47 GLY N N 47 110.408 110.408 107.347 3.061 25489 8405 1 15 . 1 1 47 47 GLY H H 47 7.922 7.922 7.757 0.165 25489 8406 1 15 . 1 1 48 48 LEU N N 48 121.853 121.853 122.713 -0.860 25489 8407 1 15 . 1 1 48 48 LEU H H 48 8.747 8.747 8.361 0.386 25489 8408 1 15 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.329 -0.128 25489 8409 1 15 . 1 1 50 50 ILE N N 50 127.000 127.000 121.323 5.677 25489 8410 1 15 . 1 1 50 50 ILE H H 50 8.529 8.529 7.512 1.017 25489 8411 1 15 . 1 1 51 51 THR N N 51 116.519 116.519 119.259 -2.740 25489 8412 1 15 . 1 1 51 51 THR H H 51 7.980 7.980 8.469 -0.489 25489 8413 1 15 . 1 1 52 52 GLY N N 52 112.725 112.725 114.262 -1.537 25489 8414 1 15 . 1 1 52 52 GLY H H 52 9.483 9.483 9.259 0.224 25489 8415 1 15 . 1 1 53 53 MET N N 53 116.735 116.735 121.861 -5.126 25489 8416 1 15 . 1 1 53 53 MET HA H 53 4.044 4.044 4.367 -0.323 25489 8417 1 15 . 1 1 53 53 MET H H 53 7.969 7.969 7.795 0.174 25489 8418 1 15 . 1 1 54 54 LEU N N 54 122.602 122.602 125.253 -2.651 25489 8419 1 15 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.587 -0.881 25489 8420 1 15 . 1 1 54 54 LEU H H 54 7.926 7.926 8.355 -0.429 25489 8421 1 15 . 1 1 55 55 ASN N N 55 115.755 115.755 118.069 -2.314 25489 8422 1 15 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.852 -0.112 25489 8423 1 15 . 1 1 55 55 ASN H H 55 6.555 6.555 8.393 -1.838 25489 8424 1 15 . 1 1 56 56 SER N N 56 121.450 121.450 115.070 6.380 25489 8425 1 15 . 1 1 56 56 SER HA H 56 4.662 4.662 4.566 0.096 25489 8426 1 15 . 1 1 56 56 SER H H 56 8.205 8.205 7.883 0.322 25489 8427 1 15 . 1 1 57 57 ARG N N 57 123.219 123.219 123.760 -0.541 25489 8428 1 15 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.976 0.230 25489 8429 1 15 . 1 1 57 57 ARG H H 57 7.883 7.883 8.690 -0.807 25489 8430 1 15 . 1 1 58 58 VAL N N 58 118.843 118.843 117.322 1.521 25489 8431 1 15 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.436 -0.136 25489 8432 1 15 . 1 1 58 58 VAL H H 58 7.594 7.594 8.175 -0.581 25489 8433 1 15 . 1 1 59 59 ILE N N 59 119.212 119.212 116.764 2.448 25489 8434 1 15 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.052 -0.583 25489 8435 1 15 . 1 1 59 59 ILE H H 59 7.326 7.326 7.837 -0.511 25489 8436 1 15 . 1 1 60 60 GLU N N 60 119.544 119.544 120.591 -1.047 25489 8437 1 15 . 1 1 60 60 GLU H H 60 7.880 7.880 8.115 -0.235 25489 8438 1 15 . 1 1 61 61 ILE N N 61 118.812 118.812 114.649 4.163 25489 8439 1 15 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.633 -0.191 25489 8440 1 15 . 1 1 61 61 ILE H H 61 7.217 7.217 7.252 -0.035 25489 8441 1 15 . 1 1 62 62 MET N N 62 120.202 120.202 115.645 4.557 25489 8442 1 15 . 1 1 62 62 MET HA H 62 3.419 3.419 3.973 -0.554 25489 8443 1 15 . 1 1 62 62 MET H H 62 7.820 7.820 7.251 0.569 25489 8444 1 15 . 1 1 63 63 GLN N N 63 116.274 116.274 115.613 0.661 25489 8445 1 15 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.235 0.006 25489 8446 1 15 . 1 1 63 63 GLN H H 63 7.442 7.442 7.257 0.185 25489 8447 1 15 . 1 1 64 64 LYS N N 64 121.450 121.450 121.187 0.263 25489 8448 1 15 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.388 0.111 25489 8449 1 15 . 1 1 64 64 LYS H H 64 7.474 7.474 8.102 -0.628 25489 8450 1 15 . 1 1 66 66 ARG N N 66 113.173 113.173 121.447 -8.274 25489 8451 1 15 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.483 -0.044 25489 8452 1 15 . 1 1 66 66 ARG H H 66 8.151 8.151 7.926 0.225 25489 8453 1 15 . 1 1 67 67 CYS N N 67 121.794 121.794 124.542 -2.748 25489 8454 1 15 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.640 -0.220 25489 8455 1 15 . 1 1 67 67 CYS H H 67 7.709 7.709 9.311 -1.602 25489 8456 1 15 . 1 1 68 68 GLY N N 68 116.255 116.255 118.655 -2.400 25489 8457 1 15 . 1 1 68 68 GLY H H 68 9.707 9.707 9.357 0.350 25489 8458 1 15 . 1 1 69 69 VAL N N 69 126.541 126.541 119.532 7.009 25489 8459 1 15 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.606 -0.799 25489 8460 1 15 . 1 1 69 69 VAL H H 69 9.118 9.118 7.500 1.618 25489 8461 1 15 . 1 1 71 71 ASP N N 71 119.114 119.114 121.241 -2.127 25489 8462 1 15 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.453 0.030 25489 8463 1 15 . 1 1 71 71 ASP H H 71 8.067 8.067 8.636 -0.569 25489 8464 1 15 . 1 1 72 72 VAL N N 72 112.988 112.988 116.750 -3.762 25489 8465 1 15 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.136 0.145 25489 8466 1 15 . 1 1 72 72 VAL H H 72 6.438 6.438 7.664 -1.226 25489 8467 1 15 . 1 1 73 73 ALA N N 73 125.902 125.902 129.400 -3.498 25489 8468 1 15 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.355 -0.088 25489 8469 1 15 . 1 1 73 73 ALA H H 73 8.171 8.171 6.419 1.752 25489 8470 1 15 . 1 1 74 74 GLU N N 74 120.835 120.835 126.076 -5.241 25489 8471 1 15 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.129 -0.046 25489 8472 1 15 . 1 1 74 74 GLU H H 74 8.385 8.385 8.375 0.010 25489 8473 1 15 . 1 1 75 75 TYR N N 75 121.820 121.820 123.528 -1.708 25489 8474 1 15 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.836 -0.442 25489 8475 1 15 . 1 1 75 75 TYR H H 75 8.102 8.102 7.507 0.595 25489 8476 1 15 . 1 1 76 76 SER N N 76 117.881 117.881 117.456 0.425 25489 8477 1 15 . 1 1 76 76 SER H H 76 7.718 7.718 8.727 -1.009 25489 8478 1 15 . 1 1 77 77 LEU N N 77 123.835 123.835 118.088 5.747 25489 8479 1 15 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.016 0.076 25489 8480 1 15 . 1 1 77 77 LEU H H 77 8.033 8.033 8.795 -0.762 25489 8481 1 15 . 1 1 78 78 PHE N N 78 118.893 118.893 122.576 -3.683 25489 8482 1 15 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.219 0.626 25489 8483 1 15 . 1 1 78 78 PHE H H 78 7.822 7.822 7.671 0.151 25489 8484 1 15 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.358 -0.027 25489 8485 1 15 . 1 1 80 80 ASN N N 80 118.184 118.184 120.352 -2.168 25489 8486 1 15 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.693 -0.013 25489 8487 1 15 . 1 1 80 80 ASN H H 80 8.106 8.106 8.462 -0.356 25489 8488 1 15 . 1 1 81 81 SER HA H 81 4.636 4.636 4.824 -0.188 25489 8489 1 15 . 1 1 83 83 LYS N N 83 114.696 114.696 114.510 0.186 25489 8490 1 15 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.718 -0.495 25489 8491 1 15 . 1 1 83 83 LYS H H 83 7.361 7.361 7.495 -0.134 25489 8492 1 15 . 1 1 84 84 TRP N N 84 122.459 122.459 122.997 -0.538 25489 8493 1 15 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.597 -0.594 25489 8494 1 15 . 1 1 84 84 TRP H H 84 8.020 8.020 8.657 -0.637 25489 8495 1 15 . 1 1 85 85 THR N N 85 113.482 113.482 118.418 -4.936 25489 8496 1 15 . 1 1 85 85 THR HA H 85 4.586 4.586 4.456 0.130 25489 8497 1 15 . 1 1 85 85 THR H H 85 8.833 8.833 8.080 0.753 25489 8498 1 15 . 1 1 86 86 SER N N 86 117.316 117.316 117.311 0.005 25489 8499 1 15 . 1 1 86 86 SER HA H 86 4.665 4.665 4.327 0.338 25489 8500 1 15 . 1 1 86 86 SER H H 86 7.724 7.724 7.389 0.335 25489 8501 1 15 . 1 1 87 87 LYS N N 87 120.411 120.411 124.600 -4.189 25489 8502 1 15 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.390 -0.251 25489 8503 1 15 . 1 1 87 87 LYS H H 87 8.312 8.312 8.561 -0.249 25489 8504 1 15 . 1 1 88 88 VAL N N 88 117.674 117.674 114.086 3.588 25489 8505 1 15 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.591 0.060 25489 8506 1 15 . 1 1 88 88 VAL H H 88 7.425 7.425 7.435 -0.010 25489 8507 1 15 . 1 1 89 89 VAL N N 89 131.493 131.493 124.489 7.004 25489 8508 1 15 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.759 -0.618 25489 8509 1 15 . 1 1 89 89 VAL H H 89 8.574 8.574 8.924 -0.350 25489 8510 1 15 . 1 1 90 90 THR N N 90 118.245 118.245 118.168 0.077 25489 8511 1 15 . 1 1 90 90 THR HA H 90 5.627 5.627 5.412 0.215 25489 8512 1 15 . 1 1 90 90 THR H H 90 9.021 9.021 8.578 0.443 25489 8513 1 15 . 1 1 91 91 TYR N N 91 118.267 118.267 118.935 -0.668 25489 8514 1 15 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.715 -0.041 25489 8515 1 15 . 1 1 91 91 TYR H H 91 8.555 8.555 8.310 0.245 25489 8516 1 15 . 1 1 92 92 ARG N N 92 120.260 120.260 123.091 -2.831 25489 8517 1 15 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.979 -0.333 25489 8518 1 15 . 1 1 92 92 ARG H H 92 8.513 8.513 8.467 0.046 25489 8519 1 15 . 1 1 93 93 ILE N N 93 128.361 128.361 128.039 0.322 25489 8520 1 15 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.300 0.319 25489 8521 1 15 . 1 1 93 93 ILE H H 93 8.878 8.878 9.052 -0.174 25489 8522 1 15 . 1 1 94 94 VAL N N 94 126.374 126.374 126.710 -0.336 25489 8523 1 15 . 1 1 94 94 VAL HA H 94 4.000 4.000 3.964 0.036 25489 8524 1 15 . 1 1 94 94 VAL H H 94 9.492 9.492 8.359 1.133 25489 8525 1 15 . 1 1 95 95 SER N N 95 113.303 113.303 112.453 0.850 25489 8526 1 15 . 1 1 95 95 SER HA H 95 4.705 4.705 4.584 0.121 25489 8527 1 15 . 1 1 95 95 SER H H 95 7.431 7.431 7.602 -0.171 25489 8528 1 15 . 1 1 96 96 TYR N N 96 117.054 117.054 117.964 -0.910 25489 8529 1 15 . 1 1 96 96 TYR H H 96 8.255 8.255 7.851 0.404 25489 8530 1 15 . 1 1 98 98 ARG N N 98 128.445 128.445 126.789 1.656 25489 8531 1 15 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.034 0.304 25489 8532 1 15 . 1 1 98 98 ARG H H 98 8.964 8.964 8.646 0.318 25489 8533 1 15 . 1 1 99 99 ASP N N 99 120.412 120.412 117.584 2.828 25489 8534 1 15 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.592 -0.257 25489 8535 1 15 . 1 1 99 99 ASP H H 99 8.695 8.695 7.713 0.982 25489 8536 1 15 . 1 1 100 100 LEU N N 100 116.851 116.851 120.791 -3.940 25489 8537 1 15 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.651 0.282 25489 8538 1 15 . 1 1 100 100 LEU H H 100 6.902 6.902 7.098 -0.196 25489 8539 1 15 . 1 1 102 102 HIS HA H 102 4.167 4.167 3.675 0.492 25489 8540 1 15 . 1 1 103 103 ILE N N 103 115.469 115.469 113.920 1.549 25489 8541 1 15 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.691 0.482 25489 8542 1 15 . 1 1 103 103 ILE H H 103 8.296 8.296 7.962 0.334 25489 8543 1 15 . 1 1 104 104 THR N N 104 119.413 119.413 113.736 5.677 25489 8544 1 15 . 1 1 104 104 THR HA H 104 4.019 4.019 4.174 -0.155 25489 8545 1 15 . 1 1 104 104 THR H H 104 6.915 6.915 7.841 -0.926 25489 8546 1 15 . 1 1 105 105 VAL N N 105 123.232 123.232 119.267 3.965 25489 8547 1 15 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.640 -0.226 25489 8548 1 15 . 1 1 105 105 VAL H H 105 7.379 7.379 7.215 0.164 25489 8549 1 15 . 1 1 106 106 ASP N N 106 120.160 120.160 120.767 -0.607 25489 8550 1 15 . 1 1 106 106 ASP H H 106 8.615 8.615 8.693 -0.078 25489 8551 1 15 . 1 1 107 107 ARG N N 107 121.041 121.041 119.433 1.608 25489 8552 1 15 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.151 -0.061 25489 8553 1 15 . 1 1 107 107 ARG H H 107 8.372 8.372 7.468 0.904 25489 8554 1 15 . 1 1 108 108 LEU N N 108 121.644 121.644 118.641 3.003 25489 8555 1 15 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.054 0.199 25489 8556 1 15 . 1 1 108 108 LEU H H 108 8.768 8.768 8.525 0.243 25489 8557 1 15 . 1 1 109 109 VAL N N 109 120.347 120.347 119.431 0.916 25489 8558 1 15 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.488 -0.117 25489 8559 1 15 . 1 1 109 109 VAL H H 109 8.762 8.762 7.548 1.214 25489 8560 1 15 . 1 1 110 110 SER N N 110 112.949 112.949 115.416 -2.467 25489 8561 1 15 . 1 1 110 110 SER HA H 110 4.270 4.270 3.562 0.708 25489 8562 1 15 . 1 1 110 110 SER H H 110 7.605 7.605 8.404 -0.799 25489 8563 1 15 . 1 1 111 111 LYS N N 111 122.434 122.434 121.189 1.245 25489 8564 1 15 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.139 -0.097 25489 8565 1 15 . 1 1 111 111 LYS H H 111 8.146 8.146 7.904 0.242 25489 8566 1 15 . 1 1 112 112 ALA N N 112 124.099 124.099 122.120 1.979 25489 8567 1 15 . 1 1 112 112 ALA HA H 112 4.077 4.077 4.073 0.004 25489 8568 1 15 . 1 1 112 112 ALA H H 112 8.270 8.270 7.418 0.852 25489 8569 1 15 . 1 1 113 113 LEU N N 113 116.251 116.251 119.191 -2.940 25489 8570 1 15 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.810 -0.088 25489 8571 1 15 . 1 1 113 113 LEU H H 113 8.019 8.019 7.903 0.116 25489 8572 1 15 . 1 1 114 114 ASN N N 114 116.659 116.659 117.496 -0.837 25489 8573 1 15 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.607 -0.078 25489 8574 1 15 . 1 1 114 114 ASN H H 114 8.197 8.197 8.073 0.124 25489 8575 1 15 . 1 1 115 115 MET N N 115 122.118 122.118 117.975 4.143 25489 8576 1 15 . 1 1 115 115 MET HA H 115 4.013 4.013 4.186 -0.173 25489 8577 1 15 . 1 1 115 115 MET H H 115 7.918 7.918 7.296 0.622 25489 8578 1 15 . 1 1 116 116 TRP N N 116 117.117 117.117 118.346 -1.229 25489 8579 1 15 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.383 0.127 25489 8580 1 15 . 1 1 116 116 TRP H H 116 6.773 6.773 8.021 -1.248 25489 8581 1 15 . 1 1 117 117 GLY N N 117 104.656 104.656 105.138 -0.482 25489 8582 1 15 . 1 1 117 117 GLY H H 117 9.305 9.305 8.197 1.109 25489 8583 1 15 . 1 1 118 118 LYS N N 118 118.567 118.567 119.510 -0.943 25489 8584 1 15 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.099 0.078 25489 8585 1 15 . 1 1 118 118 LYS H H 118 7.947 7.947 7.272 0.675 25489 8586 1 15 . 1 1 119 119 GLU N N 119 113.899 113.899 115.865 -1.966 25489 8587 1 15 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.394 0.414 25489 8588 1 15 . 1 1 119 119 GLU H H 119 7.773 7.773 7.927 -0.154 25489 8589 1 15 . 1 1 120 120 ILE N N 120 111.215 111.215 115.311 -4.096 25489 8590 1 15 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.786 0.535 25489 8591 1 15 . 1 1 120 120 ILE H H 120 7.528 7.528 7.245 0.283 25489 8592 1 15 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.487 0.134 25489 8593 1 15 . 1 1 122 122 LEU N N 122 121.481 121.481 126.431 -4.950 25489 8594 1 15 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.691 -0.399 25489 8595 1 15 . 1 1 122 122 LEU H H 122 6.815 6.815 8.535 -1.720 25489 8596 1 15 . 1 1 123 123 HIS N N 123 120.769 120.769 122.951 -2.182 25489 8597 1 15 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.670 -0.078 25489 8598 1 15 . 1 1 123 123 HIS H H 123 7.709 7.709 8.413 -0.704 25489 8599 1 15 . 1 1 124 124 PHE N N 124 120.530 120.530 122.251 -1.721 25489 8600 1 15 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.097 0.715 25489 8601 1 15 . 1 1 124 124 PHE H H 124 8.306 8.306 7.638 0.668 25489 8602 1 15 . 1 1 125 125 ARG N N 125 123.891 123.891 123.127 0.764 25489 8603 1 15 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.651 0.002 25489 8604 1 15 . 1 1 125 125 ARG H H 125 8.408 8.408 8.550 -0.142 25489 8605 1 15 . 1 1 126 126 LYS N N 126 130.178 130.178 125.637 4.541 25489 8606 1 15 . 1 1 126 126 LYS HA H 126 3.361 3.361 4.292 -0.931 25489 8607 1 15 . 1 1 126 126 LYS H H 126 8.468 8.468 8.566 -0.098 25489 8608 1 15 . 1 1 127 127 VAL N N 127 125.180 125.180 124.599 0.581 25489 8609 1 15 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.438 0.070 25489 8610 1 15 . 1 1 127 127 VAL H H 127 8.679 8.679 8.327 0.352 25489 8611 1 15 . 1 1 128 128 VAL N N 128 117.584 117.584 117.732 -0.148 25489 8612 1 15 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.611 -0.325 25489 8613 1 15 . 1 1 128 128 VAL H H 128 8.469 8.469 8.518 -0.049 25489 8614 1 15 . 1 1 129 129 TRP N N 129 119.805 119.805 121.768 -1.963 25489 8615 1 15 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.877 -0.191 25489 8616 1 15 . 1 1 129 129 TRP H H 129 7.447 7.447 7.884 -0.437 25489 8617 1 15 . 1 1 130 130 GLY N N 130 109.844 109.844 113.007 -3.163 25489 8618 1 15 . 1 1 130 130 GLY H H 130 8.072 8.072 8.166 -0.094 25489 8619 1 15 . 1 1 131 131 THR N N 131 116.125 116.125 112.809 3.316 25489 8620 1 15 . 1 1 131 131 THR HA H 131 4.123 4.123 4.261 -0.138 25489 8621 1 15 . 1 1 131 131 THR H H 131 8.196 8.196 8.246 -0.050 25489 8622 1 15 . 1 1 132 132 ALA N N 132 129.613 129.613 130.118 -0.505 25489 8623 1 15 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.476 0.035 25489 8624 1 15 . 1 1 132 132 ALA H H 132 7.919 7.919 8.003 -0.084 25489 8625 1 15 . 1 1 133 133 ASP N N 133 123.004 123.004 122.047 0.957 25489 8626 1 15 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.472 -0.030 25489 8627 1 15 . 1 1 133 133 ASP H H 133 8.248 8.248 8.700 -0.452 25489 8628 1 15 . 1 1 134 134 ILE N N 134 125.478 125.478 120.887 4.591 25489 8629 1 15 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.297 -0.204 25489 8630 1 15 . 1 1 134 134 ILE H H 134 8.804 8.804 7.813 0.991 25489 8631 1 15 . 1 1 135 135 MET N N 135 127.471 127.471 128.515 -1.044 25489 8632 1 15 . 1 1 135 135 MET HA H 135 5.194 5.194 4.876 0.318 25489 8633 1 15 . 1 1 135 135 MET H H 135 7.437 7.437 8.039 -0.602 25489 8634 1 15 . 1 1 136 136 ILE N N 136 125.040 125.040 125.334 -0.294 25489 8635 1 15 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.633 0.944 25489 8636 1 15 . 1 1 136 136 ILE H H 136 9.085 9.085 8.593 0.492 25489 8637 1 15 . 1 1 137 137 GLY N N 137 112.059 112.059 115.298 -3.239 25489 8638 1 15 . 1 1 137 137 GLY H H 137 8.568 8.568 8.463 0.105 25489 8639 1 15 . 1 1 138 138 PHE N N 138 119.447 119.447 123.232 -3.785 25489 8640 1 15 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.511 -0.057 25489 8641 1 15 . 1 1 138 138 PHE H H 138 7.861 7.861 8.309 -0.448 25489 8642 1 15 . 1 1 139 139 ALA N N 139 123.657 123.657 124.554 -0.897 25489 8643 1 15 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.749 -0.014 25489 8644 1 15 . 1 1 139 139 ALA H H 139 8.939 8.939 9.152 -0.213 25489 8645 1 15 . 1 1 140 140 ARG N N 140 118.688 118.688 119.976 -1.288 25489 8646 1 15 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.568 0.506 25489 8647 1 15 . 1 1 140 140 ARG H H 140 8.563 8.563 8.497 0.066 25489 8648 1 15 . 1 1 141 141 GLY N N 141 108.964 108.964 105.815 3.149 25489 8649 1 15 . 1 1 141 141 GLY H H 141 9.018 9.018 8.030 0.988 25489 8650 1 15 . 1 1 143 143 HIS N N 143 120.218 120.218 112.219 7.999 25489 8651 1 15 . 1 1 143 143 HIS H H 143 8.998 8.998 7.464 1.534 25489 8652 1 15 . 1 1 145 145 ASP N N 145 117.684 117.684 118.432 -0.748 25489 8653 1 15 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.559 0.141 25489 8654 1 15 . 1 1 145 145 ASP H H 145 7.088 7.088 8.406 -1.318 25489 8655 1 15 . 1 1 146 146 SER HA H 146 4.140 4.140 4.511 -0.371 25489 8656 1 15 . 1 1 146 146 SER H H 146 8.220 8.220 7.298 0.922 25489 8657 1 15 . 1 1 147 147 TYR N N 147 120.867 120.867 124.588 -3.721 25489 8658 1 15 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.268 0.520 25489 8659 1 15 . 1 1 147 147 TYR H H 147 7.459 7.459 8.963 -1.504 25489 8660 1 15 . 1 1 149 149 PHE N N 149 120.630 120.630 121.743 -1.113 25489 8661 1 15 . 1 1 149 149 PHE H H 149 8.018 8.018 8.858 -0.840 25489 8662 1 15 . 1 1 150 150 ASP N N 150 115.626 115.626 116.322 -0.696 25489 8663 1 15 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.422 0.421 25489 8664 1 15 . 1 1 150 150 ASP H H 150 7.543 7.543 7.804 -0.261 25489 8665 1 15 . 1 1 151 151 GLY N N 151 110.700 110.700 109.256 1.444 25489 8666 1 15 . 1 1 151 151 GLY H H 151 9.074 9.074 8.543 0.531 25489 8667 1 15 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.531 -0.505 25489 8668 1 15 . 1 1 153 153 GLY N N 153 118.786 118.786 115.984 2.802 25489 8669 1 15 . 1 1 153 153 GLY H H 153 11.385 11.385 8.044 3.341 25489 8670 1 15 . 1 1 154 154 ASN N N 154 120.613 120.613 123.963 -3.350 25489 8671 1 15 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.383 -0.185 25489 8672 1 15 . 1 1 154 154 ASN H H 154 9.225 9.225 8.497 0.728 25489 8673 1 15 . 1 1 155 155 THR N N 155 118.700 118.700 115.280 3.420 25489 8674 1 15 . 1 1 155 155 THR HA H 155 5.542 5.542 4.000 1.542 25489 8675 1 15 . 1 1 155 155 THR H H 155 9.519 9.519 8.572 0.947 25489 8676 1 15 . 1 1 156 156 LEU N N 156 122.765 122.765 123.599 -0.834 25489 8677 1 15 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.455 0.487 25489 8678 1 15 . 1 1 156 156 LEU H H 156 8.500 8.500 8.525 -0.025 25489 8679 1 15 . 1 1 157 157 ALA N N 157 115.545 115.545 115.464 0.081 25489 8680 1 15 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.794 0.213 25489 8681 1 15 . 1 1 157 157 ALA H H 157 7.545 7.545 7.402 0.143 25489 8682 1 15 . 1 1 158 158 HIS N N 158 111.868 111.868 115.967 -4.099 25489 8683 1 15 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.126 -0.509 25489 8684 1 15 . 1 1 158 158 HIS H H 158 8.774 8.774 9.010 -0.236 25489 8685 1 15 . 1 1 159 159 ALA N N 159 118.565 118.565 119.882 -1.317 25489 8686 1 15 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.344 0.313 25489 8687 1 15 . 1 1 159 159 ALA H H 159 6.114 6.114 8.182 -2.068 25489 8688 1 15 . 1 1 160 160 PHE N N 160 118.042 118.042 118.913 -0.871 25489 8689 1 15 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.755 -0.274 25489 8690 1 15 . 1 1 160 160 PHE H H 160 7.897 7.897 7.696 0.201 25489 8691 1 15 . 1 1 161 161 ALA N N 161 123.548 123.548 124.266 -0.718 25489 8692 1 15 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.429 0.054 25489 8693 1 15 . 1 1 161 161 ALA H H 161 8.089 8.089 8.611 -0.522 25489 8694 1 15 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.386 -1.515 25489 8695 1 15 . 1 1 163 163 GLY N N 163 107.255 107.255 110.298 -3.043 25489 8696 1 15 . 1 1 163 163 GLY H H 163 5.992 5.992 7.632 -1.640 25489 8697 1 15 . 1 1 165 165 GLY H H 165 9.149 9.149 8.079 1.070 25489 8698 1 15 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.149 0.004 25489 8699 1 15 . 1 1 167 167 GLY N N 167 103.338 103.338 104.127 -0.789 25489 8700 1 15 . 1 1 167 167 GLY H H 167 7.774 7.774 7.315 0.459 25489 8701 1 15 . 1 1 168 168 GLY N N 168 121.031 121.031 107.165 13.866 25489 8702 1 15 . 1 1 168 168 GLY H H 168 7.685 7.685 7.904 -0.219 25489 8703 1 15 . 1 1 169 169 ASP N N 169 123.703 123.703 121.982 1.721 25489 8704 1 15 . 1 1 169 169 ASP H H 169 8.578 8.578 7.742 0.836 25489 8705 1 15 . 1 1 170 170 ALA N N 170 119.569 119.569 124.122 -4.553 25489 8706 1 15 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.556 0.148 25489 8707 1 15 . 1 1 170 170 ALA H H 170 8.371 8.371 7.931 0.440 25489 8708 1 15 . 1 1 171 171 HIS N N 171 120.286 120.286 119.970 0.316 25489 8709 1 15 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.022 0.708 25489 8710 1 15 . 1 1 171 171 HIS H H 171 8.513 8.513 8.325 0.188 25489 8711 1 15 . 1 1 172 172 PHE N N 172 120.919 120.919 123.746 -2.827 25489 8712 1 15 . 1 1 172 172 PHE H H 172 8.457 8.457 8.889 -0.432 25489 8713 1 15 . 1 1 173 173 ASP N N 173 123.993 123.993 120.503 3.490 25489 8714 1 15 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.340 -1.444 25489 8715 1 15 . 1 1 173 173 ASP H H 173 7.915 7.915 8.852 -0.937 25489 8716 1 15 . 1 1 174 174 GLU N N 174 132.684 132.684 126.412 6.272 25489 8717 1 15 . 1 1 174 174 GLU H H 174 9.461 9.461 8.795 0.666 25489 8718 1 15 . 1 1 175 175 ASP N N 175 117.313 117.313 119.458 -2.145 25489 8719 1 15 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.568 0.229 25489 8720 1 15 . 1 1 175 175 ASP H H 175 8.756 8.756 8.707 0.049 25489 8721 1 15 . 1 1 176 176 GLU N N 176 116.511 116.511 118.565 -2.054 25489 8722 1 15 . 1 1 176 176 GLU H H 176 7.154 7.154 8.080 -0.926 25489 8723 1 15 . 1 1 177 177 ARG N N 177 121.920 121.920 124.922 -3.002 25489 8724 1 15 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.629 -0.004 25489 8725 1 15 . 1 1 177 177 ARG H H 177 7.555 7.555 8.315 -0.760 25489 8726 1 15 . 1 1 178 178 TRP N N 178 129.182 129.182 127.858 1.324 25489 8727 1 15 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.424 -0.311 25489 8728 1 15 . 1 1 178 178 TRP H H 178 8.788 8.788 8.780 0.008 25489 8729 1 15 . 1 1 179 179 THR N N 179 112.874 112.874 115.065 -2.191 25489 8730 1 15 . 1 1 179 179 THR HA H 179 5.015 5.015 4.800 0.215 25489 8731 1 15 . 1 1 179 179 THR H H 179 8.946 8.946 8.639 0.307 25489 8732 1 15 . 1 1 180 180 ASP N N 180 121.969 121.969 125.937 -3.968 25489 8733 1 15 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.838 -0.416 25489 8734 1 15 . 1 1 180 180 ASP H H 180 8.478 8.478 8.841 -0.363 25489 8735 1 15 . 1 1 181 181 GLY N N 181 110.059 110.059 108.358 1.701 25489 8736 1 15 . 1 1 181 181 GLY H H 181 8.572 8.572 8.411 0.161 25489 8737 1 15 . 1 1 182 182 SER N N 182 115.564 115.564 116.688 -1.124 25489 8738 1 15 . 1 1 182 182 SER HA H 182 4.599 4.599 4.312 0.287 25489 8739 1 15 . 1 1 182 182 SER H H 182 8.173 8.173 8.081 0.092 25489 8740 1 15 . 1 1 183 183 SER N N 183 117.066 117.066 114.221 2.845 25489 8741 1 15 . 1 1 183 183 SER H H 183 7.819 7.819 8.523 -0.704 25489 8742 1 15 . 1 1 184 184 LEU N N 184 121.954 121.954 122.354 -0.400 25489 8743 1 15 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.360 0.002 25489 8744 1 15 . 1 1 184 184 LEU H H 184 8.104 8.104 8.052 0.052 25489 8745 1 15 . 1 1 185 185 GLY N N 185 108.989 108.989 106.533 2.456 25489 8746 1 15 . 1 1 185 185 GLY H H 185 7.954 7.954 7.268 0.686 25489 8747 1 15 . 1 1 186 186 ILE N N 186 123.084 123.084 120.679 2.405 25489 8748 1 15 . 1 1 186 186 ILE HA H 186 3.779 3.779 4.048 -0.269 25489 8749 1 15 . 1 1 186 186 ILE H H 186 8.878 8.878 8.166 0.712 25489 8750 1 15 . 1 1 187 187 ASN N N 187 126.999 126.999 123.935 3.064 25489 8751 1 15 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.620 -0.224 25489 8752 1 15 . 1 1 187 187 ASN H H 187 8.575 8.575 8.374 0.201 25489 8753 1 15 . 1 1 188 188 PHE N N 188 129.819 129.819 128.197 1.622 25489 8754 1 15 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.335 0.256 25489 8755 1 15 . 1 1 188 188 PHE H H 188 9.365 9.365 8.006 1.359 25489 8756 1 15 . 1 1 189 189 LEU N N 189 119.292 119.292 121.327 -2.035 25489 8757 1 15 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.688 0.145 25489 8758 1 15 . 1 1 189 189 LEU H H 189 8.551 8.551 7.871 0.680 25489 8759 1 15 . 1 1 191 191 ALA N N 191 120.347 120.347 122.321 -1.974 25489 8760 1 15 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.201 0.096 25489 8761 1 15 . 1 1 191 191 ALA H H 191 7.973 7.973 7.490 0.483 25489 8762 1 15 . 1 1 192 192 ALA N N 192 121.365 121.365 121.053 0.312 25489 8763 1 15 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.906 0.111 25489 8764 1 15 . 1 1 192 192 ALA H H 192 9.258 9.258 7.550 1.708 25489 8765 1 15 . 1 1 193 193 THR N N 193 117.027 117.027 114.870 2.157 25489 8766 1 15 . 1 1 193 193 THR HA H 193 3.825 3.825 3.986 -0.161 25489 8767 1 15 . 1 1 193 193 THR H H 193 8.209 8.209 7.591 0.618 25489 8768 1 15 . 1 1 194 194 HIS N N 194 120.231 120.231 122.255 -2.024 25489 8769 1 15 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.305 -0.072 25489 8770 1 15 . 1 1 194 194 HIS H H 194 7.805 7.805 7.986 -0.181 25489 8771 1 15 . 1 1 195 195 ALA N N 195 121.346 121.346 120.525 0.821 25489 8772 1 15 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.145 0.035 25489 8773 1 15 . 1 1 195 195 ALA H H 195 8.693 8.693 7.875 0.818 25489 8774 1 15 . 1 1 196 196 LEU N N 196 114.951 114.951 116.509 -1.558 25489 8775 1 15 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.311 -0.153 25489 8776 1 15 . 1 1 196 196 LEU H H 196 8.714 8.714 7.680 1.034 25489 8777 1 15 . 1 1 197 197 GLY N N 197 107.954 107.954 105.280 2.674 25489 8778 1 15 . 1 1 197 197 GLY H H 197 7.540 7.540 7.521 0.019 25489 8779 1 15 . 1 1 198 198 HIS N N 198 121.996 121.996 119.387 2.609 25489 8780 1 15 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.501 0.308 25489 8781 1 15 . 1 1 198 198 HIS H H 198 7.205 7.205 7.082 0.123 25489 8782 1 15 . 1 1 199 199 SER N N 199 118.570 118.570 115.285 3.285 25489 8783 1 15 . 1 1 199 199 SER HA H 199 4.448 4.448 4.247 0.201 25489 8784 1 15 . 1 1 199 199 SER H H 199 7.886 7.886 8.482 -0.596 25489 8785 1 15 . 1 1 200 200 LEU N N 200 114.779 114.779 117.881 -3.102 25489 8786 1 15 . 1 1 200 200 LEU H H 200 7.106 7.106 7.415 -0.309 25489 8787 1 15 . 1 1 201 201 GLY N N 201 108.350 108.350 104.893 3.457 25489 8788 1 15 . 1 1 201 201 GLY H H 201 8.213 8.213 7.615 0.598 25489 8789 1 15 . 1 1 202 202 MET N N 202 119.623 119.623 119.497 0.126 25489 8790 1 15 . 1 1 202 202 MET HA H 202 4.484 4.484 4.476 0.008 25489 8791 1 15 . 1 1 202 202 MET H H 202 8.189 8.189 7.125 1.064 25489 8792 1 15 . 1 1 203 203 GLY N N 203 109.770 109.770 107.220 2.550 25489 8793 1 15 . 1 1 203 203 GLY H H 203 8.413 8.413 8.327 0.086 25489 8794 1 15 . 1 1 204 204 HIS N N 204 115.793 115.793 117.746 -1.953 25489 8795 1 15 . 1 1 204 204 HIS HA H 204 5.374 5.374 5.166 0.208 25489 8796 1 15 . 1 1 204 204 HIS H H 204 8.383 8.383 8.533 -0.150 25489 8797 1 15 . 1 1 205 205 SER N N 205 115.497 115.497 118.022 -2.525 25489 8798 1 15 . 1 1 205 205 SER HA H 205 4.721 4.721 4.646 0.075 25489 8799 1 15 . 1 1 205 205 SER H H 205 7.223 7.223 8.807 -1.584 25489 8800 1 15 . 1 1 206 206 SER N N 206 119.268 119.268 120.447 -1.179 25489 8801 1 15 . 1 1 206 206 SER HA H 206 3.721 3.721 4.310 -0.589 25489 8802 1 15 . 1 1 206 206 SER H H 206 8.290 8.290 8.679 -0.389 25489 8803 1 15 . 1 1 207 207 ASP N N 207 126.656 126.656 119.858 6.798 25489 8804 1 15 . 1 1 207 207 ASP H H 207 8.541 8.541 7.635 0.906 25489 8805 1 15 . 1 1 209 209 ASN N N 209 115.911 115.911 118.868 -2.957 25489 8806 1 15 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.404 0.212 25489 8807 1 15 . 1 1 209 209 ASN H H 209 8.374 8.374 8.608 -0.234 25489 8808 1 15 . 1 1 210 210 ALA N N 210 124.929 124.929 120.987 3.942 25489 8809 1 15 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.517 -0.363 25489 8810 1 15 . 1 1 210 210 ALA H H 210 8.182 8.182 7.545 0.637 25489 8811 1 15 . 1 1 211 211 VAL N N 211 130.383 130.383 123.277 7.106 25489 8812 1 15 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.759 0.491 25489 8813 1 15 . 1 1 211 211 VAL H H 211 11.554 11.554 9.355 2.199 25489 8814 1 15 . 1 1 212 212 MET N N 212 113.319 113.319 115.333 -2.014 25489 8815 1 15 . 1 1 212 212 MET H H 212 7.741 7.741 7.674 0.067 25489 8816 1 15 . 1 1 213 213 TYR N N 213 130.006 130.006 124.069 5.937 25489 8817 1 15 . 1 1 213 213 TYR H H 213 7.899 7.899 7.771 0.128 25489 8818 1 15 . 1 1 215 215 THR N N 215 104.747 104.747 106.888 -2.141 25489 8819 1 15 . 1 1 215 215 THR HA H 215 4.404 4.404 4.451 -0.047 25489 8820 1 15 . 1 1 215 215 THR H H 215 6.402 6.402 6.778 -0.376 25489 8821 1 15 . 1 1 216 216 TYR N N 216 124.699 124.699 122.383 2.316 25489 8822 1 15 . 1 1 216 216 TYR H H 216 8.341 8.341 8.724 -0.383 25489 8823 1 15 . 1 1 217 217 GLY N N 217 116.288 116.288 113.570 2.718 25489 8824 1 15 . 1 1 217 217 GLY H H 217 7.685 7.685 7.706 -0.021 25489 8825 1 15 . 1 1 218 218 ASN N N 218 119.920 119.920 116.336 3.584 25489 8826 1 15 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.319 0.301 25489 8827 1 15 . 1 1 218 218 ASN H H 218 8.221 8.221 8.760 -0.539 25489 8828 1 15 . 1 1 219 219 GLY N N 219 109.601 109.601 106.431 3.170 25489 8829 1 15 . 1 1 219 219 GLY H H 219 8.072 8.072 7.398 0.674 25489 8830 1 15 . 1 1 220 220 ASP N N 220 123.006 123.006 123.709 -0.703 25489 8831 1 15 . 1 1 220 220 ASP H H 220 8.280 8.280 8.378 -0.098 25489 8832 1 15 . 1 1 222 222 GLN N N 222 116.642 116.642 120.318 -3.676 25489 8833 1 15 . 1 1 222 222 GLN H H 222 8.215 8.215 8.603 -0.388 25489 8834 1 15 . 1 1 223 223 ASN N N 223 118.361 118.361 115.860 2.501 25489 8835 1 15 . 1 1 223 223 ASN H H 223 7.970 7.970 7.962 0.008 25489 8836 1 15 . 1 1 225 225 LYS N N 225 122.215 122.215 124.259 -2.044 25489 8837 1 15 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.256 0.160 25489 8838 1 15 . 1 1 225 225 LYS H H 225 7.656 7.656 7.717 -0.061 25489 8839 1 15 . 1 1 226 226 LEU N N 226 119.165 119.165 122.233 -3.068 25489 8840 1 15 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.209 -0.121 25489 8841 1 15 . 1 1 226 226 LEU H H 226 7.984 7.984 8.059 -0.075 25489 8842 1 15 . 1 1 227 227 SER N N 227 120.520 120.520 117.569 2.951 25489 8843 1 15 . 1 1 227 227 SER HA H 227 4.676 4.676 4.565 0.111 25489 8844 1 15 . 1 1 227 227 SER H H 227 9.646 9.646 8.608 1.038 25489 8845 1 15 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.078 0.596 25489 8846 1 15 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.368 0.006 25489 8847 1 15 . 1 1 229 229 ASP H H 229 8.113 8.113 8.354 -0.241 25489 8848 1 15 . 1 1 230 230 ASP N N 230 119.878 119.878 118.933 0.945 25489 8849 1 15 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.520 -0.182 25489 8850 1 15 . 1 1 230 230 ASP H H 230 7.397 7.397 7.450 -0.053 25489 8851 1 15 . 1 1 231 231 ILE N N 231 120.389 120.389 120.092 0.297 25489 8852 1 15 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.876 -0.221 25489 8853 1 15 . 1 1 231 231 ILE H H 231 8.100 8.100 8.075 0.025 25489 8854 1 15 . 1 1 232 232 LYS N N 232 119.084 119.084 120.138 -1.054 25489 8855 1 15 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.104 -0.009 25489 8856 1 15 . 1 1 232 232 LYS H H 232 8.581 8.581 7.966 0.615 25489 8857 1 15 . 1 1 233 233 GLY N N 233 106.424 106.424 106.783 -0.359 25489 8858 1 15 . 1 1 233 233 GLY H H 233 8.061 8.061 7.516 0.545 25489 8859 1 15 . 1 1 234 234 ILE N N 234 125.166 125.166 120.669 4.497 25489 8860 1 15 . 1 1 234 234 ILE H H 234 8.517 8.517 7.313 1.204 25489 8861 1 15 . 1 1 235 235 GLN N N 235 122.969 122.969 119.857 3.112 25489 8862 1 15 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.223 0.158 25489 8863 1 15 . 1 1 235 235 GLN H H 235 8.291 8.291 7.909 0.382 25489 8864 1 15 . 1 1 236 236 LYS N N 236 123.770 123.770 119.783 3.987 25489 8865 1 15 . 1 1 236 236 LYS H H 236 8.035 8.035 7.534 0.501 25489 8866 1 15 . 1 1 237 237 LEU N N 237 116.854 116.854 118.319 -1.465 25489 8867 1 15 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.996 -0.037 25489 8868 1 15 . 1 1 237 237 LEU H H 237 6.886 6.886 7.121 -0.235 25489 8869 1 15 . 1 1 238 238 TYR N N 238 112.132 112.132 116.173 -4.041 25489 8870 1 15 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.581 0.045 25489 8871 1 15 . 1 1 238 238 TYR H H 238 7.459 7.459 7.490 -0.031 25489 8872 1 15 . 1 1 239 239 GLY N N 239 110.898 110.898 108.750 2.148 25489 8873 1 15 . 1 1 239 239 GLY H H 239 8.442 8.442 7.449 0.993 25489 8874 1 15 . 1 1 240 240 LYS N N 240 114.400 114.400 121.334 -6.934 25489 8875 1 15 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.322 0.482 25489 8876 1 15 . 1 1 240 240 LYS H H 240 7.865 7.865 8.439 -0.574 25489 8877 1 15 . 1 1 241 241 ARG N N 241 123.851 123.851 122.087 1.764 25489 8878 1 15 . 1 1 241 241 ARG H H 241 7.760 7.760 8.584 -0.824 25489 8879 1 15 . 1 1 242 242 SER N N 242 135.647 135.647 117.185 18.462 25489 8880 1 15 . 1 1 242 242 SER H H 242 9.158 9.158 8.471 0.687 25489 8881 1 16 . 1 1 3 3 GLU N N 3 121.690 121.690 126.813 -5.123 25489 8882 1 16 . 1 1 3 3 GLU H H 3 8.332 8.332 9.034 -0.702 25489 8883 1 16 . 1 1 4 4 ALA N N 4 124.526 124.526 119.361 5.165 25489 8884 1 16 . 1 1 4 4 ALA H H 4 8.111 8.111 8.574 -0.463 25489 8885 1 16 . 1 1 5 5 GLY N N 5 108.229 108.229 104.956 3.273 25489 8886 1 16 . 1 1 5 5 GLY H H 5 8.286 8.286 7.399 0.887 25489 8887 1 16 . 1 1 6 6 GLY N N 6 108.867 108.867 108.680 0.187 25489 8888 1 16 . 1 1 6 6 GLY H H 6 8.239 8.239 7.984 0.255 25489 8889 1 16 . 1 1 7 7 MET N N 7 119.984 119.984 119.941 0.043 25489 8890 1 16 . 1 1 7 7 MET H H 7 8.044 8.044 7.749 0.295 25489 8891 1 16 . 1 1 8 8 SER N N 8 118.771 118.771 119.178 -0.407 25489 8892 1 16 . 1 1 8 8 SER HA H 8 4.239 4.239 4.425 -0.186 25489 8893 1 16 . 1 1 8 8 SER H H 8 8.738 8.738 8.509 0.229 25489 8894 1 16 . 1 1 9 9 GLU N N 9 122.551 122.551 129.665 -7.114 25489 8895 1 16 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.133 0.119 25489 8896 1 16 . 1 1 9 9 GLU H H 9 8.919 8.919 9.102 -0.183 25489 8897 1 16 . 1 1 10 10 LEU N N 10 120.638 120.638 118.940 1.698 25489 8898 1 16 . 1 1 10 10 LEU H H 10 8.017 8.017 7.683 0.334 25489 8899 1 16 . 1 1 11 11 GLN N N 11 119.889 119.889 118.267 1.622 25489 8900 1 16 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.158 -0.024 25489 8901 1 16 . 1 1 11 11 GLN H H 11 7.807 7.807 7.546 0.261 25489 8902 1 16 . 1 1 12 12 TRP N N 12 120.951 120.951 123.062 -2.111 25489 8903 1 16 . 1 1 12 12 TRP H H 12 8.202 8.202 8.499 -0.297 25489 8904 1 16 . 1 1 13 13 GLU N N 13 121.870 121.870 117.719 4.151 25489 8905 1 16 . 1 1 13 13 GLU H H 13 8.436 8.436 8.137 0.299 25489 8906 1 16 . 1 1 14 14 GLN N N 14 120.646 120.646 119.191 1.455 25489 8907 1 16 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.841 0.328 25489 8908 1 16 . 1 1 14 14 GLN H H 14 8.159 8.159 7.362 0.797 25489 8909 1 16 . 1 1 15 15 ALA N N 15 123.216 123.216 122.240 0.976 25489 8910 1 16 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.841 0.497 25489 8911 1 16 . 1 1 15 15 ALA H H 15 8.355 8.355 7.820 0.535 25489 8912 1 16 . 1 1 16 16 GLN N N 16 117.766 117.766 116.385 1.381 25489 8913 1 16 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.755 -0.050 25489 8914 1 16 . 1 1 16 16 GLN H H 16 8.440 8.440 8.120 0.320 25489 8915 1 16 . 1 1 17 17 ASP N N 17 120.090 120.090 120.051 0.039 25489 8916 1 16 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.415 0.048 25489 8917 1 16 . 1 1 17 17 ASP H H 17 7.899 7.899 7.536 0.363 25489 8918 1 16 . 1 1 18 18 TYR N N 18 122.296 122.296 119.117 3.179 25489 8919 1 16 . 1 1 18 18 TYR H H 18 8.264 8.264 8.213 0.051 25489 8920 1 16 . 1 1 19 19 LEU N N 19 117.675 117.675 121.486 -3.811 25489 8921 1 16 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.119 0.006 25489 8922 1 16 . 1 1 19 19 LEU H H 19 8.687 8.687 8.181 0.506 25489 8923 1 16 . 1 1 20 20 LYS N N 20 124.620 124.620 116.493 8.127 25489 8924 1 16 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.143 -0.000 25489 8925 1 16 . 1 1 20 20 LYS H H 20 8.790 8.790 7.806 0.984 25489 8926 1 16 . 1 1 21 21 ARG N N 21 117.608 117.608 115.926 1.682 25489 8927 1 16 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.169 -0.472 25489 8928 1 16 . 1 1 21 21 ARG H H 21 7.835 7.835 7.965 -0.130 25489 8929 1 16 . 1 1 22 22 PHE N N 22 112.136 112.136 117.557 -5.421 25489 8930 1 16 . 1 1 22 22 PHE H H 22 8.003 8.003 7.542 0.461 25489 8931 1 16 . 1 1 23 23 TYR N N 23 116.244 116.244 115.498 0.746 25489 8932 1 16 . 1 1 23 23 TYR H H 23 7.678 7.678 7.929 -0.251 25489 8933 1 16 . 1 1 24 24 LEU N N 24 115.582 115.582 115.198 0.384 25489 8934 1 16 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.641 -0.506 25489 8935 1 16 . 1 1 24 24 LEU H H 24 7.238 7.238 7.918 -0.680 25489 8936 1 16 . 1 1 25 25 TYR N N 25 119.996 119.996 122.969 -2.973 25489 8937 1 16 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.625 -0.220 25489 8938 1 16 . 1 1 25 25 TYR H H 25 7.826 7.826 8.484 -0.658 25489 8939 1 16 . 1 1 26 26 ASP N N 26 129.292 129.292 127.099 2.193 25489 8940 1 16 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.721 -0.260 25489 8941 1 16 . 1 1 26 26 ASP H H 26 8.121 8.121 8.226 -0.105 25489 8942 1 16 . 1 1 28 28 GLU N N 28 122.115 122.115 121.083 1.032 25489 8943 1 16 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.127 0.154 25489 8944 1 16 . 1 1 28 28 GLU H H 28 8.262 8.262 8.186 0.076 25489 8945 1 16 . 1 1 29 29 THR N N 29 114.171 114.171 113.459 0.712 25489 8946 1 16 . 1 1 29 29 THR HA H 29 4.222 4.222 4.122 0.100 25489 8947 1 16 . 1 1 29 29 THR H H 29 7.496 7.496 8.234 -0.738 25489 8948 1 16 . 1 1 30 30 LYS N N 30 123.019 123.019 123.283 -0.264 25489 8949 1 16 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.108 0.110 25489 8950 1 16 . 1 1 30 30 LYS H H 30 8.154 8.154 7.304 0.850 25489 8951 1 16 . 1 1 32 32 ALA N N 32 126.481 126.481 128.729 -2.248 25489 8952 1 16 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.071 0.179 25489 8953 1 16 . 1 1 32 32 ALA H H 32 8.424 8.424 8.867 -0.443 25489 8954 1 16 . 1 1 33 33 ASN N N 33 116.834 116.834 113.924 2.910 25489 8955 1 16 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.689 0.009 25489 8956 1 16 . 1 1 33 33 ASN H H 33 8.312 8.312 8.238 0.074 25489 8957 1 16 . 1 1 34 34 SER N N 34 116.960 116.960 117.373 -0.413 25489 8958 1 16 . 1 1 34 34 SER HA H 34 4.522 4.522 4.308 0.214 25489 8959 1 16 . 1 1 34 34 SER H H 34 8.112 8.112 7.807 0.305 25489 8960 1 16 . 1 1 35 35 LEU N N 35 125.335 125.335 122.483 2.852 25489 8961 1 16 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.908 -0.357 25489 8962 1 16 . 1 1 35 35 LEU H H 35 8.324 8.324 8.804 -0.480 25489 8963 1 16 . 1 1 36 36 GLU N N 36 119.302 119.302 118.615 0.687 25489 8964 1 16 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.122 -0.179 25489 8965 1 16 . 1 1 36 36 GLU H H 36 8.239 8.239 7.974 0.265 25489 8966 1 16 . 1 1 37 37 ALA N N 37 120.683 120.683 121.716 -1.033 25489 8967 1 16 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.128 -0.081 25489 8968 1 16 . 1 1 37 37 ALA H H 37 7.898 7.898 7.262 0.636 25489 8969 1 16 . 1 1 38 38 LYS N N 38 119.470 119.470 119.092 0.378 25489 8970 1 16 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.061 0.272 25489 8971 1 16 . 1 1 38 38 LYS H H 38 8.217 8.217 7.905 0.312 25489 8972 1 16 . 1 1 39 39 LEU N N 39 122.664 122.664 119.609 3.055 25489 8973 1 16 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.067 -0.153 25489 8974 1 16 . 1 1 39 39 LEU H H 39 8.658 8.658 8.199 0.459 25489 8975 1 16 . 1 1 40 40 LYS N N 40 118.301 118.301 118.819 -0.518 25489 8976 1 16 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.056 0.617 25489 8977 1 16 . 1 1 40 40 LYS H H 40 8.221 8.221 7.666 0.555 25489 8978 1 16 . 1 1 41 41 GLU N N 41 121.462 121.462 120.602 0.860 25489 8979 1 16 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.125 -0.057 25489 8980 1 16 . 1 1 41 41 GLU H H 41 7.736 7.736 8.021 -0.285 25489 8981 1 16 . 1 1 42 42 MET N N 42 123.761 123.761 119.506 4.255 25489 8982 1 16 . 1 1 42 42 MET HA H 42 4.046 4.046 4.369 -0.323 25489 8983 1 16 . 1 1 42 42 MET H H 42 7.672 7.672 8.229 -0.557 25489 8984 1 16 . 1 1 43 43 GLN N N 43 120.035 120.035 118.476 1.559 25489 8985 1 16 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.147 -0.351 25489 8986 1 16 . 1 1 43 43 GLN H H 43 8.904 8.904 8.045 0.859 25489 8987 1 16 . 1 1 44 44 LYS N N 44 119.131 119.131 121.378 -2.247 25489 8988 1 16 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.129 -0.077 25489 8989 1 16 . 1 1 44 44 LYS H H 44 8.511 8.511 7.789 0.722 25489 8990 1 16 . 1 1 45 45 PHE N N 45 123.544 123.544 120.584 2.960 25489 8991 1 16 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.160 -0.310 25489 8992 1 16 . 1 1 45 45 PHE H H 45 8.438 8.438 8.130 0.308 25489 8993 1 16 . 1 1 46 46 PHE N N 46 112.789 112.789 114.693 -1.904 25489 8994 1 16 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.448 0.134 25489 8995 1 16 . 1 1 46 46 PHE H H 46 8.273 8.273 7.652 0.621 25489 8996 1 16 . 1 1 47 47 GLY N N 47 110.408 110.408 106.960 3.448 25489 8997 1 16 . 1 1 47 47 GLY H H 47 7.922 7.922 7.874 0.048 25489 8998 1 16 . 1 1 48 48 LEU N N 48 121.853 121.853 122.193 -0.340 25489 8999 1 16 . 1 1 48 48 LEU H H 48 8.747 8.747 7.535 1.212 25489 9000 1 16 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.386 -0.185 25489 9001 1 16 . 1 1 50 50 ILE N N 50 127.000 127.000 122.913 4.087 25489 9002 1 16 . 1 1 50 50 ILE H H 50 8.529 8.529 7.842 0.687 25489 9003 1 16 . 1 1 51 51 THR N N 51 116.519 116.519 117.664 -1.145 25489 9004 1 16 . 1 1 51 51 THR H H 51 7.980 7.980 8.075 -0.095 25489 9005 1 16 . 1 1 52 52 GLY N N 52 112.725 112.725 112.749 -0.024 25489 9006 1 16 . 1 1 52 52 GLY H H 52 9.483 9.483 9.841 -0.358 25489 9007 1 16 . 1 1 53 53 MET N N 53 116.735 116.735 119.872 -3.137 25489 9008 1 16 . 1 1 53 53 MET HA H 53 4.044 4.044 4.871 -0.827 25489 9009 1 16 . 1 1 53 53 MET H H 53 7.969 7.969 7.686 0.283 25489 9010 1 16 . 1 1 54 54 LEU N N 54 122.602 122.602 124.710 -2.108 25489 9011 1 16 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.617 -0.911 25489 9012 1 16 . 1 1 54 54 LEU H H 54 7.926 7.926 8.592 -0.666 25489 9013 1 16 . 1 1 55 55 ASN N N 55 115.755 115.755 121.239 -5.484 25489 9014 1 16 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.789 -0.049 25489 9015 1 16 . 1 1 55 55 ASN H H 55 6.555 6.555 8.853 -2.298 25489 9016 1 16 . 1 1 56 56 SER N N 56 121.450 121.450 114.937 6.513 25489 9017 1 16 . 1 1 56 56 SER HA H 56 4.662 4.662 4.635 0.027 25489 9018 1 16 . 1 1 56 56 SER H H 56 8.205 8.205 8.287 -0.082 25489 9019 1 16 . 1 1 57 57 ARG N N 57 123.219 123.219 120.920 2.299 25489 9020 1 16 . 1 1 57 57 ARG HA H 57 4.206 4.206 3.948 0.258 25489 9021 1 16 . 1 1 57 57 ARG H H 57 7.883 7.883 8.606 -0.723 25489 9022 1 16 . 1 1 58 58 VAL N N 58 118.843 118.843 117.319 1.524 25489 9023 1 16 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.748 -0.448 25489 9024 1 16 . 1 1 58 58 VAL H H 58 7.594 7.594 8.141 -0.547 25489 9025 1 16 . 1 1 59 59 ILE N N 59 119.212 119.212 118.370 0.842 25489 9026 1 16 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.126 -0.657 25489 9027 1 16 . 1 1 59 59 ILE H H 59 7.326 7.326 7.719 -0.393 25489 9028 1 16 . 1 1 60 60 GLU N N 60 119.544 119.544 121.611 -2.067 25489 9029 1 16 . 1 1 60 60 GLU H H 60 7.880 7.880 7.654 0.226 25489 9030 1 16 . 1 1 61 61 ILE N N 61 118.812 118.812 115.815 2.997 25489 9031 1 16 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.873 -0.431 25489 9032 1 16 . 1 1 61 61 ILE H H 61 7.217 7.217 7.333 -0.116 25489 9033 1 16 . 1 1 62 62 MET N N 62 120.202 120.202 114.476 5.726 25489 9034 1 16 . 1 1 62 62 MET HA H 62 3.419 3.419 4.398 -0.979 25489 9035 1 16 . 1 1 62 62 MET H H 62 7.820 7.820 7.468 0.352 25489 9036 1 16 . 1 1 63 63 GLN N N 63 116.274 116.274 118.540 -2.266 25489 9037 1 16 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.213 0.028 25489 9038 1 16 . 1 1 63 63 GLN H H 63 7.442 7.442 7.500 -0.058 25489 9039 1 16 . 1 1 64 64 LYS N N 64 121.450 121.450 120.179 1.271 25489 9040 1 16 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.416 0.083 25489 9041 1 16 . 1 1 64 64 LYS H H 64 7.474 7.474 7.900 -0.426 25489 9042 1 16 . 1 1 66 66 ARG N N 66 113.173 113.173 121.381 -8.208 25489 9043 1 16 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.811 -0.372 25489 9044 1 16 . 1 1 66 66 ARG H H 66 8.151 8.151 7.980 0.171 25489 9045 1 16 . 1 1 67 67 CYS N N 67 121.794 121.794 121.571 0.223 25489 9046 1 16 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.567 -0.147 25489 9047 1 16 . 1 1 67 67 CYS H H 67 7.709 7.709 9.100 -1.391 25489 9048 1 16 . 1 1 68 68 GLY N N 68 116.255 116.255 118.479 -2.224 25489 9049 1 16 . 1 1 68 68 GLY H H 68 9.707 9.707 9.169 0.538 25489 9050 1 16 . 1 1 69 69 VAL N N 69 126.541 126.541 115.986 10.555 25489 9051 1 16 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.616 -0.809 25489 9052 1 16 . 1 1 69 69 VAL H H 69 9.118 9.118 7.437 1.681 25489 9053 1 16 . 1 1 71 71 ASP N N 71 119.114 119.114 122.853 -3.739 25489 9054 1 16 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.385 0.098 25489 9055 1 16 . 1 1 71 71 ASP H H 71 8.067 8.067 8.530 -0.463 25489 9056 1 16 . 1 1 72 72 VAL N N 72 112.988 112.988 117.374 -4.386 25489 9057 1 16 . 1 1 72 72 VAL HA H 72 4.281 4.281 4.235 0.046 25489 9058 1 16 . 1 1 72 72 VAL H H 72 6.438 6.438 7.444 -1.006 25489 9059 1 16 . 1 1 73 73 ALA N N 73 125.902 125.902 128.859 -2.957 25489 9060 1 16 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.124 0.143 25489 9061 1 16 . 1 1 73 73 ALA H H 73 8.171 8.171 6.664 1.507 25489 9062 1 16 . 1 1 74 74 GLU N N 74 120.835 120.835 125.896 -5.061 25489 9063 1 16 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.347 -0.264 25489 9064 1 16 . 1 1 74 74 GLU H H 74 8.385 8.385 8.345 0.040 25489 9065 1 16 . 1 1 75 75 TYR N N 75 121.820 121.820 122.245 -0.425 25489 9066 1 16 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.771 -0.377 25489 9067 1 16 . 1 1 75 75 TYR H H 75 8.102 8.102 7.794 0.308 25489 9068 1 16 . 1 1 76 76 SER N N 76 117.881 117.881 117.518 0.363 25489 9069 1 16 . 1 1 76 76 SER H H 76 7.718 7.718 8.705 -0.987 25489 9070 1 16 . 1 1 77 77 LEU N N 77 123.835 123.835 123.276 0.559 25489 9071 1 16 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.031 0.061 25489 9072 1 16 . 1 1 77 77 LEU H H 77 8.033 8.033 8.565 -0.532 25489 9073 1 16 . 1 1 78 78 PHE N N 78 118.893 118.893 123.241 -4.348 25489 9074 1 16 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.478 0.367 25489 9075 1 16 . 1 1 78 78 PHE H H 78 7.822 7.822 7.767 0.055 25489 9076 1 16 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.200 0.131 25489 9077 1 16 . 1 1 80 80 ASN N N 80 118.184 118.184 119.823 -1.639 25489 9078 1 16 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.686 -0.006 25489 9079 1 16 . 1 1 80 80 ASN H H 80 8.106 8.106 8.136 -0.030 25489 9080 1 16 . 1 1 81 81 SER HA H 81 4.636 4.636 4.975 -0.339 25489 9081 1 16 . 1 1 83 83 LYS N N 83 114.696 114.696 115.147 -0.451 25489 9082 1 16 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.800 -0.577 25489 9083 1 16 . 1 1 83 83 LYS H H 83 7.361 7.361 7.604 -0.243 25489 9084 1 16 . 1 1 84 84 TRP N N 84 122.459 122.459 122.048 0.411 25489 9085 1 16 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.679 -0.676 25489 9086 1 16 . 1 1 84 84 TRP H H 84 8.020 8.020 8.581 -0.561 25489 9087 1 16 . 1 1 85 85 THR N N 85 113.482 113.482 117.427 -3.945 25489 9088 1 16 . 1 1 85 85 THR HA H 85 4.586 4.586 4.348 0.238 25489 9089 1 16 . 1 1 85 85 THR H H 85 8.833 8.833 7.738 1.095 25489 9090 1 16 . 1 1 86 86 SER N N 86 117.316 117.316 115.845 1.471 25489 9091 1 16 . 1 1 86 86 SER HA H 86 4.665 4.665 4.263 0.402 25489 9092 1 16 . 1 1 86 86 SER H H 86 7.724 7.724 6.993 0.731 25489 9093 1 16 . 1 1 87 87 LYS N N 87 120.411 120.411 127.308 -6.897 25489 9094 1 16 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.281 -0.142 25489 9095 1 16 . 1 1 87 87 LYS H H 87 8.312 8.312 8.753 -0.441 25489 9096 1 16 . 1 1 88 88 VAL N N 88 117.674 117.674 111.318 6.356 25489 9097 1 16 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.598 0.053 25489 9098 1 16 . 1 1 88 88 VAL H H 88 7.425 7.425 7.257 0.168 25489 9099 1 16 . 1 1 89 89 VAL N N 89 131.493 131.493 124.125 7.368 25489 9100 1 16 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.746 -0.605 25489 9101 1 16 . 1 1 89 89 VAL H H 89 8.574 8.574 8.926 -0.352 25489 9102 1 16 . 1 1 90 90 THR N N 90 118.245 118.245 120.132 -1.887 25489 9103 1 16 . 1 1 90 90 THR HA H 90 5.627 5.627 5.468 0.159 25489 9104 1 16 . 1 1 90 90 THR H H 90 9.021 9.021 8.652 0.369 25489 9105 1 16 . 1 1 91 91 TYR N N 91 118.267 118.267 119.230 -0.963 25489 9106 1 16 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.367 0.307 25489 9107 1 16 . 1 1 91 91 TYR H H 91 8.555 8.555 8.533 0.022 25489 9108 1 16 . 1 1 92 92 ARG N N 92 120.260 120.260 123.441 -3.181 25489 9109 1 16 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.923 -0.277 25489 9110 1 16 . 1 1 92 92 ARG H H 92 8.513 8.513 9.364 -0.851 25489 9111 1 16 . 1 1 93 93 ILE N N 93 128.361 128.361 126.375 1.986 25489 9112 1 16 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.596 0.023 25489 9113 1 16 . 1 1 93 93 ILE H H 93 8.878 8.878 8.955 -0.077 25489 9114 1 16 . 1 1 94 94 VAL N N 94 126.374 126.374 122.079 4.295 25489 9115 1 16 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.303 -0.303 25489 9116 1 16 . 1 1 94 94 VAL H H 94 9.492 9.492 8.511 0.981 25489 9117 1 16 . 1 1 95 95 SER N N 95 113.303 113.303 115.281 -1.978 25489 9118 1 16 . 1 1 95 95 SER HA H 95 4.705 4.705 4.776 -0.071 25489 9119 1 16 . 1 1 95 95 SER H H 95 7.431 7.431 7.607 -0.176 25489 9120 1 16 . 1 1 96 96 TYR N N 96 117.054 117.054 118.823 -1.769 25489 9121 1 16 . 1 1 96 96 TYR H H 96 8.255 8.255 8.409 -0.154 25489 9122 1 16 . 1 1 98 98 ARG N N 98 128.445 128.445 123.871 4.574 25489 9123 1 16 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.456 -0.118 25489 9124 1 16 . 1 1 98 98 ARG H H 98 8.964 8.964 8.540 0.424 25489 9125 1 16 . 1 1 99 99 ASP N N 99 120.412 120.412 119.526 0.886 25489 9126 1 16 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.555 -0.220 25489 9127 1 16 . 1 1 99 99 ASP H H 99 8.695 8.695 7.773 0.922 25489 9128 1 16 . 1 1 100 100 LEU N N 100 116.851 116.851 119.859 -3.008 25489 9129 1 16 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.573 0.360 25489 9130 1 16 . 1 1 100 100 LEU H H 100 6.902 6.902 7.354 -0.452 25489 9131 1 16 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.001 0.166 25489 9132 1 16 . 1 1 103 103 ILE N N 103 115.469 115.469 113.963 1.506 25489 9133 1 16 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.719 0.454 25489 9134 1 16 . 1 1 103 103 ILE H H 103 8.296 8.296 8.130 0.166 25489 9135 1 16 . 1 1 104 104 THR N N 104 119.413 119.413 117.136 2.277 25489 9136 1 16 . 1 1 104 104 THR HA H 104 4.019 4.019 4.118 -0.099 25489 9137 1 16 . 1 1 104 104 THR H H 104 6.915 6.915 7.729 -0.814 25489 9138 1 16 . 1 1 105 105 VAL N N 105 123.232 123.232 122.702 0.530 25489 9139 1 16 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.376 0.038 25489 9140 1 16 . 1 1 105 105 VAL H H 105 7.379 7.379 7.391 -0.012 25489 9141 1 16 . 1 1 106 106 ASP N N 106 120.160 120.160 119.430 0.730 25489 9142 1 16 . 1 1 106 106 ASP H H 106 8.615 8.615 8.329 0.286 25489 9143 1 16 . 1 1 107 107 ARG N N 107 121.041 121.041 119.503 1.538 25489 9144 1 16 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.028 0.062 25489 9145 1 16 . 1 1 107 107 ARG H H 107 8.372 8.372 7.482 0.890 25489 9146 1 16 . 1 1 108 108 LEU N N 108 121.644 121.644 120.623 1.021 25489 9147 1 16 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.024 0.229 25489 9148 1 16 . 1 1 108 108 LEU H H 108 8.768 8.768 8.561 0.207 25489 9149 1 16 . 1 1 109 109 VAL N N 109 120.347 120.347 119.129 1.218 25489 9150 1 16 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.497 -0.126 25489 9151 1 16 . 1 1 109 109 VAL H H 109 8.762 8.762 8.896 -0.134 25489 9152 1 16 . 1 1 110 110 SER N N 110 112.949 112.949 116.405 -3.456 25489 9153 1 16 . 1 1 110 110 SER HA H 110 4.270 4.270 3.546 0.724 25489 9154 1 16 . 1 1 110 110 SER H H 110 7.605 7.605 7.590 0.015 25489 9155 1 16 . 1 1 111 111 LYS N N 111 122.434 122.434 122.072 0.362 25489 9156 1 16 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.920 0.122 25489 9157 1 16 . 1 1 111 111 LYS H H 111 8.146 8.146 8.360 -0.214 25489 9158 1 16 . 1 1 112 112 ALA N N 112 124.099 124.099 121.421 2.678 25489 9159 1 16 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.749 0.328 25489 9160 1 16 . 1 1 112 112 ALA H H 112 8.270 8.270 7.778 0.492 25489 9161 1 16 . 1 1 113 113 LEU N N 113 116.251 116.251 117.360 -1.109 25489 9162 1 16 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.840 -0.118 25489 9163 1 16 . 1 1 113 113 LEU H H 113 8.019 8.019 7.778 0.241 25489 9164 1 16 . 1 1 114 114 ASN N N 114 116.659 116.659 117.096 -0.437 25489 9165 1 16 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.771 -0.242 25489 9166 1 16 . 1 1 114 114 ASN H H 114 8.197 8.197 8.304 -0.107 25489 9167 1 16 . 1 1 115 115 MET N N 115 122.118 122.118 119.767 2.351 25489 9168 1 16 . 1 1 115 115 MET HA H 115 4.013 4.013 4.168 -0.155 25489 9169 1 16 . 1 1 115 115 MET H H 115 7.918 7.918 7.480 0.438 25489 9170 1 16 . 1 1 116 116 TRP N N 116 117.117 117.117 117.160 -0.043 25489 9171 1 16 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.545 -0.035 25489 9172 1 16 . 1 1 116 116 TRP H H 116 6.773 6.773 7.679 -0.906 25489 9173 1 16 . 1 1 117 117 GLY N N 117 104.656 104.656 105.578 -0.922 25489 9174 1 16 . 1 1 117 117 GLY H H 117 9.305 9.305 8.040 1.265 25489 9175 1 16 . 1 1 118 118 LYS N N 118 118.567 118.567 118.817 -0.250 25489 9176 1 16 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.389 -0.212 25489 9177 1 16 . 1 1 118 118 LYS H H 118 7.947 7.947 7.449 0.498 25489 9178 1 16 . 1 1 119 119 GLU N N 119 113.899 113.899 117.288 -3.389 25489 9179 1 16 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.381 0.427 25489 9180 1 16 . 1 1 119 119 GLU H H 119 7.773 7.773 7.757 0.016 25489 9181 1 16 . 1 1 120 120 ILE N N 120 111.215 111.215 119.744 -8.529 25489 9182 1 16 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.509 0.812 25489 9183 1 16 . 1 1 120 120 ILE H H 120 7.528 7.528 7.634 -0.106 25489 9184 1 16 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.472 0.149 25489 9185 1 16 . 1 1 122 122 LEU N N 122 121.481 121.481 122.059 -0.578 25489 9186 1 16 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.448 -0.156 25489 9187 1 16 . 1 1 122 122 LEU H H 122 6.815 6.815 7.707 -0.892 25489 9188 1 16 . 1 1 123 123 HIS N N 123 120.769 120.769 124.163 -3.394 25489 9189 1 16 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.918 -0.326 25489 9190 1 16 . 1 1 123 123 HIS H H 123 7.709 7.709 8.294 -0.585 25489 9191 1 16 . 1 1 124 124 PHE N N 124 120.530 120.530 121.054 -0.524 25489 9192 1 16 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.191 0.621 25489 9193 1 16 . 1 1 124 124 PHE H H 124 8.306 8.306 7.583 0.723 25489 9194 1 16 . 1 1 125 125 ARG N N 125 123.891 123.891 122.968 0.923 25489 9195 1 16 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.813 -0.160 25489 9196 1 16 . 1 1 125 125 ARG H H 125 8.408 8.408 9.261 -0.853 25489 9197 1 16 . 1 1 126 126 LYS N N 126 130.178 130.178 124.898 5.280 25489 9198 1 16 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.881 -0.520 25489 9199 1 16 . 1 1 126 126 LYS H H 126 8.468 8.468 8.531 -0.063 25489 9200 1 16 . 1 1 127 127 VAL N N 127 125.180 125.180 125.736 -0.556 25489 9201 1 16 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.366 0.142 25489 9202 1 16 . 1 1 127 127 VAL H H 127 8.679 8.679 8.713 -0.034 25489 9203 1 16 . 1 1 128 128 VAL N N 128 117.584 117.584 119.726 -2.142 25489 9204 1 16 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.461 -0.175 25489 9205 1 16 . 1 1 128 128 VAL H H 128 8.469 8.469 8.414 0.055 25489 9206 1 16 . 1 1 129 129 TRP N N 129 119.805 119.805 120.256 -0.451 25489 9207 1 16 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.705 -0.019 25489 9208 1 16 . 1 1 129 129 TRP H H 129 7.447 7.447 7.606 -0.159 25489 9209 1 16 . 1 1 130 130 GLY N N 130 109.844 109.844 111.019 -1.175 25489 9210 1 16 . 1 1 130 130 GLY H H 130 8.072 8.072 7.820 0.252 25489 9211 1 16 . 1 1 131 131 THR N N 131 116.125 116.125 112.517 3.608 25489 9212 1 16 . 1 1 131 131 THR HA H 131 4.123 4.123 4.547 -0.424 25489 9213 1 16 . 1 1 131 131 THR H H 131 8.196 8.196 8.248 -0.052 25489 9214 1 16 . 1 1 132 132 ALA N N 132 129.613 129.613 129.220 0.393 25489 9215 1 16 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.546 -0.035 25489 9216 1 16 . 1 1 132 132 ALA H H 132 7.919 7.919 8.242 -0.323 25489 9217 1 16 . 1 1 133 133 ASP N N 133 123.004 123.004 120.626 2.378 25489 9218 1 16 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.707 -0.265 25489 9219 1 16 . 1 1 133 133 ASP H H 133 8.248 8.248 8.650 -0.402 25489 9220 1 16 . 1 1 134 134 ILE N N 134 125.478 125.478 122.590 2.888 25489 9221 1 16 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.249 -0.156 25489 9222 1 16 . 1 1 134 134 ILE H H 134 8.804 8.804 7.731 1.073 25489 9223 1 16 . 1 1 135 135 MET N N 135 127.471 127.471 128.515 -1.044 25489 9224 1 16 . 1 1 135 135 MET HA H 135 5.194 5.194 5.238 -0.044 25489 9225 1 16 . 1 1 135 135 MET H H 135 7.437 7.437 8.515 -1.078 25489 9226 1 16 . 1 1 136 136 ILE N N 136 125.040 125.040 125.129 -0.089 25489 9227 1 16 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.773 0.804 25489 9228 1 16 . 1 1 136 136 ILE H H 136 9.085 9.085 8.861 0.224 25489 9229 1 16 . 1 1 137 137 GLY N N 137 112.059 112.059 114.668 -2.609 25489 9230 1 16 . 1 1 137 137 GLY H H 137 8.568 8.568 8.543 0.025 25489 9231 1 16 . 1 1 138 138 PHE N N 138 119.447 119.447 120.830 -1.383 25489 9232 1 16 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.309 0.145 25489 9233 1 16 . 1 1 138 138 PHE H H 138 7.861 7.861 8.992 -1.131 25489 9234 1 16 . 1 1 139 139 ALA N N 139 123.657 123.657 125.310 -1.653 25489 9235 1 16 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.654 0.081 25489 9236 1 16 . 1 1 139 139 ALA H H 139 8.939 8.939 8.878 0.061 25489 9237 1 16 . 1 1 140 140 ARG N N 140 118.688 118.688 120.726 -2.038 25489 9238 1 16 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.441 0.633 25489 9239 1 16 . 1 1 140 140 ARG H H 140 8.563 8.563 8.400 0.163 25489 9240 1 16 . 1 1 141 141 GLY N N 141 108.964 108.964 108.351 0.613 25489 9241 1 16 . 1 1 141 141 GLY H H 141 9.018 9.018 8.268 0.750 25489 9242 1 16 . 1 1 143 143 HIS N N 143 120.218 120.218 112.913 7.305 25489 9243 1 16 . 1 1 143 143 HIS H H 143 8.998 8.998 7.620 1.378 25489 9244 1 16 . 1 1 145 145 ASP N N 145 117.684 117.684 120.104 -2.420 25489 9245 1 16 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.358 0.342 25489 9246 1 16 . 1 1 145 145 ASP H H 145 7.088 7.088 8.426 -1.338 25489 9247 1 16 . 1 1 146 146 SER HA H 146 4.140 4.140 4.348 -0.208 25489 9248 1 16 . 1 1 146 146 SER H H 146 8.220 8.220 7.308 0.912 25489 9249 1 16 . 1 1 147 147 TYR N N 147 120.867 120.867 122.966 -2.099 25489 9250 1 16 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.248 0.540 25489 9251 1 16 . 1 1 147 147 TYR H H 147 7.459 7.459 8.637 -1.178 25489 9252 1 16 . 1 1 149 149 PHE N N 149 120.630 120.630 121.249 -0.619 25489 9253 1 16 . 1 1 149 149 PHE H H 149 8.018 8.018 8.625 -0.607 25489 9254 1 16 . 1 1 150 150 ASP N N 150 115.626 115.626 114.869 0.757 25489 9255 1 16 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.374 0.469 25489 9256 1 16 . 1 1 150 150 ASP H H 150 7.543 7.543 7.946 -0.403 25489 9257 1 16 . 1 1 151 151 GLY N N 151 110.700 110.700 107.551 3.149 25489 9258 1 16 . 1 1 151 151 GLY H H 151 9.074 9.074 8.063 1.011 25489 9259 1 16 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.522 -0.496 25489 9260 1 16 . 1 1 153 153 GLY N N 153 118.786 118.786 115.615 3.171 25489 9261 1 16 . 1 1 153 153 GLY H H 153 11.385 11.385 8.190 3.195 25489 9262 1 16 . 1 1 154 154 ASN N N 154 120.613 120.613 124.512 -3.899 25489 9263 1 16 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.368 -0.170 25489 9264 1 16 . 1 1 154 154 ASN H H 154 9.225 9.225 8.522 0.703 25489 9265 1 16 . 1 1 155 155 THR N N 155 118.700 118.700 114.715 3.985 25489 9266 1 16 . 1 1 155 155 THR HA H 155 5.542 5.542 3.945 1.597 25489 9267 1 16 . 1 1 155 155 THR H H 155 9.519 9.519 8.731 0.788 25489 9268 1 16 . 1 1 156 156 LEU N N 156 122.765 122.765 123.447 -0.682 25489 9269 1 16 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.728 0.214 25489 9270 1 16 . 1 1 156 156 LEU H H 156 8.500 8.500 8.437 0.063 25489 9271 1 16 . 1 1 157 157 ALA N N 157 115.545 115.545 117.776 -2.231 25489 9272 1 16 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.002 0.005 25489 9273 1 16 . 1 1 157 157 ALA H H 157 7.545 7.545 7.541 0.004 25489 9274 1 16 . 1 1 158 158 HIS N N 158 111.868 111.868 115.760 -3.892 25489 9275 1 16 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.975 -0.358 25489 9276 1 16 . 1 1 158 158 HIS H H 158 8.774 8.774 8.858 -0.084 25489 9277 1 16 . 1 1 159 159 ALA N N 159 118.565 118.565 123.296 -4.731 25489 9278 1 16 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.467 0.190 25489 9279 1 16 . 1 1 159 159 ALA H H 159 6.114 6.114 8.205 -2.091 25489 9280 1 16 . 1 1 160 160 PHE N N 160 118.042 118.042 119.727 -1.685 25489 9281 1 16 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.654 -0.173 25489 9282 1 16 . 1 1 160 160 PHE H H 160 7.897 7.897 8.191 -0.294 25489 9283 1 16 . 1 1 161 161 ALA N N 161 123.548 123.548 125.011 -1.463 25489 9284 1 16 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.109 0.374 25489 9285 1 16 . 1 1 161 161 ALA H H 161 8.089 8.089 8.624 -0.535 25489 9286 1 16 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.375 -1.504 25489 9287 1 16 . 1 1 163 163 GLY N N 163 107.255 107.255 109.179 -1.924 25489 9288 1 16 . 1 1 163 163 GLY H H 163 5.992 5.992 7.704 -1.712 25489 9289 1 16 . 1 1 165 165 GLY H H 165 9.149 9.149 8.016 1.133 25489 9290 1 16 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.124 0.029 25489 9291 1 16 . 1 1 167 167 GLY N N 167 103.338 103.338 103.873 -0.535 25489 9292 1 16 . 1 1 167 167 GLY H H 167 7.774 7.774 7.045 0.729 25489 9293 1 16 . 1 1 168 168 GLY N N 168 121.031 121.031 109.017 12.014 25489 9294 1 16 . 1 1 168 168 GLY H H 168 7.685 7.685 8.550 -0.865 25489 9295 1 16 . 1 1 169 169 ASP N N 169 123.703 123.703 121.746 1.957 25489 9296 1 16 . 1 1 169 169 ASP H H 169 8.578 8.578 7.847 0.731 25489 9297 1 16 . 1 1 170 170 ALA N N 170 119.569 119.569 122.038 -2.469 25489 9298 1 16 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.653 0.051 25489 9299 1 16 . 1 1 170 170 ALA H H 170 8.371 8.371 8.130 0.241 25489 9300 1 16 . 1 1 171 171 HIS N N 171 120.286 120.286 120.735 -0.449 25489 9301 1 16 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.893 0.837 25489 9302 1 16 . 1 1 171 171 HIS H H 171 8.513 8.513 8.645 -0.132 25489 9303 1 16 . 1 1 172 172 PHE N N 172 120.919 120.919 123.286 -2.367 25489 9304 1 16 . 1 1 172 172 PHE H H 172 8.457 8.457 8.364 0.093 25489 9305 1 16 . 1 1 173 173 ASP N N 173 123.993 123.993 121.413 2.580 25489 9306 1 16 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.102 -1.206 25489 9307 1 16 . 1 1 173 173 ASP H H 173 7.915 7.915 9.111 -1.196 25489 9308 1 16 . 1 1 174 174 GLU N N 174 132.684 132.684 126.524 6.160 25489 9309 1 16 . 1 1 174 174 GLU H H 174 9.461 9.461 8.415 1.046 25489 9310 1 16 . 1 1 175 175 ASP N N 175 117.313 117.313 118.750 -1.437 25489 9311 1 16 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.517 0.280 25489 9312 1 16 . 1 1 175 175 ASP H H 175 8.756 8.756 8.341 0.415 25489 9313 1 16 . 1 1 176 176 GLU N N 176 116.511 116.511 118.128 -1.617 25489 9314 1 16 . 1 1 176 176 GLU H H 176 7.154 7.154 7.806 -0.652 25489 9315 1 16 . 1 1 177 177 ARG N N 177 121.920 121.920 123.228 -1.308 25489 9316 1 16 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.257 0.368 25489 9317 1 16 . 1 1 177 177 ARG H H 177 7.555 7.555 8.293 -0.738 25489 9318 1 16 . 1 1 178 178 TRP N N 178 129.182 129.182 125.431 3.751 25489 9319 1 16 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.402 -0.289 25489 9320 1 16 . 1 1 178 178 TRP H H 178 8.788 8.788 8.525 0.263 25489 9321 1 16 . 1 1 179 179 THR N N 179 112.874 112.874 113.980 -1.106 25489 9322 1 16 . 1 1 179 179 THR HA H 179 5.015 5.015 4.758 0.257 25489 9323 1 16 . 1 1 179 179 THR H H 179 8.946 8.946 8.550 0.396 25489 9324 1 16 . 1 1 180 180 ASP N N 180 121.969 121.969 123.837 -1.868 25489 9325 1 16 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.741 -0.319 25489 9326 1 16 . 1 1 180 180 ASP H H 180 8.478 8.478 8.622 -0.144 25489 9327 1 16 . 1 1 181 181 GLY N N 181 110.059 110.059 107.264 2.795 25489 9328 1 16 . 1 1 181 181 GLY H H 181 8.572 8.572 8.537 0.035 25489 9329 1 16 . 1 1 182 182 SER N N 182 115.564 115.564 117.028 -1.464 25489 9330 1 16 . 1 1 182 182 SER HA H 182 4.599 4.599 4.672 -0.073 25489 9331 1 16 . 1 1 182 182 SER H H 182 8.173 8.173 8.279 -0.106 25489 9332 1 16 . 1 1 183 183 SER N N 183 117.066 117.066 113.859 3.207 25489 9333 1 16 . 1 1 183 183 SER H H 183 7.819 7.819 8.207 -0.388 25489 9334 1 16 . 1 1 184 184 LEU N N 184 121.954 121.954 122.818 -0.864 25489 9335 1 16 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.394 -0.032 25489 9336 1 16 . 1 1 184 184 LEU H H 184 8.104 8.104 7.614 0.490 25489 9337 1 16 . 1 1 185 185 GLY N N 185 108.989 108.989 104.924 4.065 25489 9338 1 16 . 1 1 185 185 GLY H H 185 7.954 7.954 7.181 0.773 25489 9339 1 16 . 1 1 186 186 ILE N N 186 123.084 123.084 120.886 2.198 25489 9340 1 16 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.096 0.683 25489 9341 1 16 . 1 1 186 186 ILE H H 186 8.878 8.878 7.650 1.228 25489 9342 1 16 . 1 1 187 187 ASN N N 187 126.999 126.999 125.503 1.496 25489 9343 1 16 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.842 -0.446 25489 9344 1 16 . 1 1 187 187 ASN H H 187 8.575 8.575 8.085 0.490 25489 9345 1 16 . 1 1 188 188 PHE N N 188 129.819 129.819 127.280 2.539 25489 9346 1 16 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.648 -0.057 25489 9347 1 16 . 1 1 188 188 PHE H H 188 9.365 9.365 8.267 1.098 25489 9348 1 16 . 1 1 189 189 LEU N N 189 119.292 119.292 122.153 -2.861 25489 9349 1 16 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.742 0.091 25489 9350 1 16 . 1 1 189 189 LEU H H 189 8.551 8.551 8.758 -0.207 25489 9351 1 16 . 1 1 191 191 ALA N N 191 120.347 120.347 120.763 -0.416 25489 9352 1 16 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.039 0.258 25489 9353 1 16 . 1 1 191 191 ALA H H 191 7.973 7.973 7.988 -0.015 25489 9354 1 16 . 1 1 192 192 ALA N N 192 121.365 121.365 120.504 0.861 25489 9355 1 16 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.621 0.396 25489 9356 1 16 . 1 1 192 192 ALA H H 192 9.258 9.258 8.217 1.041 25489 9357 1 16 . 1 1 193 193 THR N N 193 117.027 117.027 111.541 5.486 25489 9358 1 16 . 1 1 193 193 THR HA H 193 3.825 3.825 3.629 0.196 25489 9359 1 16 . 1 1 193 193 THR H H 193 8.209 8.209 7.745 0.464 25489 9360 1 16 . 1 1 194 194 HIS N N 194 120.231 120.231 122.481 -2.250 25489 9361 1 16 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.278 -0.045 25489 9362 1 16 . 1 1 194 194 HIS H H 194 7.805 7.805 7.587 0.218 25489 9363 1 16 . 1 1 195 195 ALA N N 195 121.346 121.346 120.547 0.799 25489 9364 1 16 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.369 -0.189 25489 9365 1 16 . 1 1 195 195 ALA H H 195 8.693 8.693 7.981 0.712 25489 9366 1 16 . 1 1 196 196 LEU N N 196 114.951 114.951 115.812 -0.861 25489 9367 1 16 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.607 -0.449 25489 9368 1 16 . 1 1 196 196 LEU H H 196 8.714 8.714 7.587 1.127 25489 9369 1 16 . 1 1 197 197 GLY N N 197 107.954 107.954 107.879 0.075 25489 9370 1 16 . 1 1 197 197 GLY H H 197 7.540 7.540 7.727 -0.187 25489 9371 1 16 . 1 1 198 198 HIS N N 198 121.996 121.996 120.468 1.528 25489 9372 1 16 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.487 0.322 25489 9373 1 16 . 1 1 198 198 HIS H H 198 7.205 7.205 7.654 -0.449 25489 9374 1 16 . 1 1 199 199 SER N N 199 118.570 118.570 115.349 3.221 25489 9375 1 16 . 1 1 199 199 SER HA H 199 4.448 4.448 4.254 0.194 25489 9376 1 16 . 1 1 199 199 SER H H 199 7.886 7.886 8.557 -0.671 25489 9377 1 16 . 1 1 200 200 LEU N N 200 114.779 114.779 118.640 -3.861 25489 9378 1 16 . 1 1 200 200 LEU H H 200 7.106 7.106 7.425 -0.319 25489 9379 1 16 . 1 1 201 201 GLY N N 201 108.350 108.350 105.130 3.220 25489 9380 1 16 . 1 1 201 201 GLY H H 201 8.213 8.213 7.820 0.393 25489 9381 1 16 . 1 1 202 202 MET N N 202 119.623 119.623 120.609 -0.986 25489 9382 1 16 . 1 1 202 202 MET HA H 202 4.484 4.484 4.099 0.385 25489 9383 1 16 . 1 1 202 202 MET H H 202 8.189 8.189 7.975 0.214 25489 9384 1 16 . 1 1 203 203 GLY N N 203 109.770 109.770 107.905 1.865 25489 9385 1 16 . 1 1 203 203 GLY H H 203 8.413 8.413 8.256 0.157 25489 9386 1 16 . 1 1 204 204 HIS N N 204 115.793 115.793 116.588 -0.795 25489 9387 1 16 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.861 0.513 25489 9388 1 16 . 1 1 204 204 HIS H H 204 8.383 8.383 8.097 0.286 25489 9389 1 16 . 1 1 205 205 SER N N 205 115.497 115.497 113.746 1.751 25489 9390 1 16 . 1 1 205 205 SER HA H 205 4.721 4.721 4.802 -0.081 25489 9391 1 16 . 1 1 205 205 SER H H 205 7.223 7.223 8.408 -1.185 25489 9392 1 16 . 1 1 206 206 SER N N 206 119.268 119.268 118.515 0.753 25489 9393 1 16 . 1 1 206 206 SER HA H 206 3.721 3.721 4.454 -0.733 25489 9394 1 16 . 1 1 206 206 SER H H 206 8.290 8.290 8.598 -0.308 25489 9395 1 16 . 1 1 207 207 ASP N N 207 126.656 126.656 122.164 4.492 25489 9396 1 16 . 1 1 207 207 ASP H H 207 8.541 8.541 7.268 1.273 25489 9397 1 16 . 1 1 209 209 ASN N N 209 115.911 115.911 116.062 -0.151 25489 9398 1 16 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.803 -0.187 25489 9399 1 16 . 1 1 209 209 ASN H H 209 8.374 8.374 8.354 0.020 25489 9400 1 16 . 1 1 210 210 ALA N N 210 124.929 124.929 123.023 1.906 25489 9401 1 16 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.593 -0.439 25489 9402 1 16 . 1 1 210 210 ALA H H 210 8.182 8.182 7.232 0.950 25489 9403 1 16 . 1 1 211 211 VAL N N 211 130.383 130.383 124.174 6.209 25489 9404 1 16 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.499 0.751 25489 9405 1 16 . 1 1 211 211 VAL H H 211 11.554 11.554 9.010 2.544 25489 9406 1 16 . 1 1 212 212 MET N N 212 113.319 113.319 114.805 -1.486 25489 9407 1 16 . 1 1 212 212 MET H H 212 7.741 7.741 8.412 -0.671 25489 9408 1 16 . 1 1 213 213 TYR N N 213 130.006 130.006 123.529 6.477 25489 9409 1 16 . 1 1 213 213 TYR H H 213 7.899 7.899 7.525 0.374 25489 9410 1 16 . 1 1 215 215 THR N N 215 104.747 104.747 110.178 -5.431 25489 9411 1 16 . 1 1 215 215 THR HA H 215 4.404 4.404 4.495 -0.091 25489 9412 1 16 . 1 1 215 215 THR H H 215 6.402 6.402 7.341 -0.939 25489 9413 1 16 . 1 1 216 216 TYR N N 216 124.699 124.699 121.998 2.701 25489 9414 1 16 . 1 1 216 216 TYR H H 216 8.341 8.341 8.671 -0.330 25489 9415 1 16 . 1 1 217 217 GLY N N 217 116.288 116.288 112.315 3.973 25489 9416 1 16 . 1 1 217 217 GLY H H 217 7.685 7.685 7.095 0.590 25489 9417 1 16 . 1 1 218 218 ASN N N 218 119.920 119.920 118.539 1.381 25489 9418 1 16 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.274 0.346 25489 9419 1 16 . 1 1 218 218 ASN H H 218 8.221 8.221 8.784 -0.563 25489 9420 1 16 . 1 1 219 219 GLY N N 219 109.601 109.601 109.046 0.555 25489 9421 1 16 . 1 1 219 219 GLY H H 219 8.072 8.072 8.032 0.040 25489 9422 1 16 . 1 1 220 220 ASP N N 220 123.006 123.006 122.863 0.143 25489 9423 1 16 . 1 1 220 220 ASP H H 220 8.280 8.280 7.875 0.405 25489 9424 1 16 . 1 1 222 222 GLN N N 222 116.642 116.642 124.527 -7.885 25489 9425 1 16 . 1 1 222 222 GLN H H 222 8.215 8.215 8.833 -0.618 25489 9426 1 16 . 1 1 223 223 ASN N N 223 118.361 118.361 116.064 2.297 25489 9427 1 16 . 1 1 223 223 ASN H H 223 7.970 7.970 8.072 -0.102 25489 9428 1 16 . 1 1 225 225 LYS N N 225 122.215 122.215 126.034 -3.819 25489 9429 1 16 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.270 0.146 25489 9430 1 16 . 1 1 225 225 LYS H H 225 7.656 7.656 7.856 -0.200 25489 9431 1 16 . 1 1 226 226 LEU N N 226 119.165 119.165 122.197 -3.032 25489 9432 1 16 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.491 -0.403 25489 9433 1 16 . 1 1 226 226 LEU H H 226 7.984 7.984 8.122 -0.138 25489 9434 1 16 . 1 1 227 227 SER N N 227 120.520 120.520 119.800 0.720 25489 9435 1 16 . 1 1 227 227 SER HA H 227 4.676 4.676 4.639 0.037 25489 9436 1 16 . 1 1 227 227 SER H H 227 9.646 9.646 9.391 0.255 25489 9437 1 16 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.221 0.453 25489 9438 1 16 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.577 -0.203 25489 9439 1 16 . 1 1 229 229 ASP H H 229 8.113 8.113 8.278 -0.165 25489 9440 1 16 . 1 1 230 230 ASP N N 230 119.878 119.878 121.151 -1.273 25489 9441 1 16 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.494 -0.156 25489 9442 1 16 . 1 1 230 230 ASP H H 230 7.397 7.397 7.776 -0.379 25489 9443 1 16 . 1 1 231 231 ILE N N 231 120.389 120.389 119.402 0.987 25489 9444 1 16 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.714 -0.059 25489 9445 1 16 . 1 1 231 231 ILE H H 231 8.100 8.100 7.572 0.528 25489 9446 1 16 . 1 1 232 232 LYS N N 232 119.084 119.084 116.971 2.113 25489 9447 1 16 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.339 -0.244 25489 9448 1 16 . 1 1 232 232 LYS H H 232 8.581 8.581 7.603 0.978 25489 9449 1 16 . 1 1 233 233 GLY N N 233 106.424 106.424 106.997 -0.573 25489 9450 1 16 . 1 1 233 233 GLY H H 233 8.061 8.061 7.644 0.417 25489 9451 1 16 . 1 1 234 234 ILE N N 234 125.166 125.166 122.731 2.435 25489 9452 1 16 . 1 1 234 234 ILE H H 234 8.517 8.517 7.232 1.285 25489 9453 1 16 . 1 1 235 235 GLN N N 235 122.969 122.969 119.182 3.787 25489 9454 1 16 . 1 1 235 235 GLN HA H 235 4.381 4.381 2.504 1.877 25489 9455 1 16 . 1 1 235 235 GLN H H 235 8.291 8.291 8.466 -0.175 25489 9456 1 16 . 1 1 236 236 LYS N N 236 123.770 123.770 118.562 5.208 25489 9457 1 16 . 1 1 236 236 LYS H H 236 8.035 8.035 7.981 0.054 25489 9458 1 16 . 1 1 237 237 LEU N N 237 116.854 116.854 119.408 -2.554 25489 9459 1 16 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.185 -0.226 25489 9460 1 16 . 1 1 237 237 LEU H H 237 6.886 6.886 7.492 -0.606 25489 9461 1 16 . 1 1 238 238 TYR N N 238 112.132 112.132 112.891 -0.759 25489 9462 1 16 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.775 -0.149 25489 9463 1 16 . 1 1 238 238 TYR H H 238 7.459 7.459 7.386 0.073 25489 9464 1 16 . 1 1 239 239 GLY N N 239 110.898 110.898 109.809 1.089 25489 9465 1 16 . 1 1 239 239 GLY H H 239 8.442 8.442 7.810 0.632 25489 9466 1 16 . 1 1 240 240 LYS N N 240 114.400 114.400 122.519 -8.119 25489 9467 1 16 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.467 0.337 25489 9468 1 16 . 1 1 240 240 LYS H H 240 7.865 7.865 8.380 -0.515 25489 9469 1 16 . 1 1 241 241 ARG N N 241 123.851 123.851 124.400 -0.549 25489 9470 1 16 . 1 1 241 241 ARG H H 241 7.760 7.760 8.610 -0.850 25489 9471 1 16 . 1 1 242 242 SER N N 242 135.647 135.647 115.125 20.522 25489 9472 1 16 . 1 1 242 242 SER H H 242 9.158 9.158 8.698 0.460 25489 9473 1 17 . 1 1 3 3 GLU N N 3 121.690 121.690 127.050 -5.360 25489 9474 1 17 . 1 1 3 3 GLU H H 3 8.332 8.332 8.739 -0.407 25489 9475 1 17 . 1 1 4 4 ALA N N 4 124.526 124.526 119.531 4.995 25489 9476 1 17 . 1 1 4 4 ALA H H 4 8.111 8.111 8.197 -0.086 25489 9477 1 17 . 1 1 5 5 GLY N N 5 108.229 108.229 103.017 5.212 25489 9478 1 17 . 1 1 5 5 GLY H H 5 8.286 8.286 7.889 0.397 25489 9479 1 17 . 1 1 6 6 GLY N N 6 108.867 108.867 107.936 0.931 25489 9480 1 17 . 1 1 6 6 GLY H H 6 8.239 8.239 7.521 0.718 25489 9481 1 17 . 1 1 7 7 MET N N 7 119.984 119.984 119.452 0.532 25489 9482 1 17 . 1 1 7 7 MET H H 7 8.044 8.044 7.268 0.776 25489 9483 1 17 . 1 1 8 8 SER N N 8 118.771 118.771 118.672 0.099 25489 9484 1 17 . 1 1 8 8 SER HA H 8 4.239 4.239 4.415 -0.176 25489 9485 1 17 . 1 1 8 8 SER H H 8 8.738 8.738 8.498 0.240 25489 9486 1 17 . 1 1 9 9 GLU N N 9 122.551 122.551 129.270 -6.719 25489 9487 1 17 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.293 -0.041 25489 9488 1 17 . 1 1 9 9 GLU H H 9 8.919 8.919 8.990 -0.071 25489 9489 1 17 . 1 1 10 10 LEU N N 10 120.638 120.638 120.986 -0.348 25489 9490 1 17 . 1 1 10 10 LEU H H 10 8.017 8.017 7.628 0.389 25489 9491 1 17 . 1 1 11 11 GLN N N 11 119.889 119.889 118.504 1.385 25489 9492 1 17 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.012 0.122 25489 9493 1 17 . 1 1 11 11 GLN H H 11 7.807 7.807 7.859 -0.052 25489 9494 1 17 . 1 1 12 12 TRP N N 12 120.951 120.951 121.897 -0.946 25489 9495 1 17 . 1 1 12 12 TRP H H 12 8.202 8.202 8.739 -0.537 25489 9496 1 17 . 1 1 13 13 GLU N N 13 121.870 121.870 119.122 2.748 25489 9497 1 17 . 1 1 13 13 GLU H H 13 8.436 8.436 7.842 0.594 25489 9498 1 17 . 1 1 14 14 GLN N N 14 120.646 120.646 118.698 1.948 25489 9499 1 17 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.811 0.358 25489 9500 1 17 . 1 1 14 14 GLN H H 14 8.159 8.159 8.138 0.021 25489 9501 1 17 . 1 1 15 15 ALA N N 15 123.216 123.216 122.547 0.669 25489 9502 1 17 . 1 1 15 15 ALA HA H 15 4.338 4.338 4.027 0.311 25489 9503 1 17 . 1 1 15 15 ALA H H 15 8.355 8.355 8.515 -0.160 25489 9504 1 17 . 1 1 16 16 GLN N N 16 117.766 117.766 116.680 1.086 25489 9505 1 17 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.911 -0.206 25489 9506 1 17 . 1 1 16 16 GLN H H 16 8.440 8.440 7.906 0.534 25489 9507 1 17 . 1 1 17 17 ASP N N 17 120.090 120.090 121.113 -1.023 25489 9508 1 17 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.328 0.135 25489 9509 1 17 . 1 1 17 17 ASP H H 17 7.899 7.899 8.105 -0.206 25489 9510 1 17 . 1 1 18 18 TYR N N 18 122.296 122.296 117.394 4.902 25489 9511 1 17 . 1 1 18 18 TYR H H 18 8.264 8.264 8.091 0.173 25489 9512 1 17 . 1 1 19 19 LEU N N 19 117.675 117.675 118.585 -0.910 25489 9513 1 17 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.268 -0.143 25489 9514 1 17 . 1 1 19 19 LEU H H 19 8.687 8.687 7.763 0.924 25489 9515 1 17 . 1 1 20 20 LYS N N 20 124.620 124.620 119.107 5.513 25489 9516 1 17 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.347 -0.204 25489 9517 1 17 . 1 1 20 20 LYS H H 20 8.790 8.790 7.984 0.806 25489 9518 1 17 . 1 1 21 21 ARG N N 21 117.608 117.608 116.998 0.610 25489 9519 1 17 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.253 -0.556 25489 9520 1 17 . 1 1 21 21 ARG H H 21 7.835 7.835 8.149 -0.314 25489 9521 1 17 . 1 1 22 22 PHE N N 22 112.136 112.136 116.843 -4.707 25489 9522 1 17 . 1 1 22 22 PHE H H 22 8.003 8.003 7.397 0.606 25489 9523 1 17 . 1 1 23 23 TYR N N 23 116.244 116.244 115.442 0.802 25489 9524 1 17 . 1 1 23 23 TYR H H 23 7.678 7.678 7.889 -0.211 25489 9525 1 17 . 1 1 24 24 LEU N N 24 115.582 115.582 116.252 -0.670 25489 9526 1 17 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.640 -0.505 25489 9527 1 17 . 1 1 24 24 LEU H H 24 7.238 7.238 8.228 -0.990 25489 9528 1 17 . 1 1 25 25 TYR N N 25 119.996 119.996 123.840 -3.844 25489 9529 1 17 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.520 -0.115 25489 9530 1 17 . 1 1 25 25 TYR H H 25 7.826 7.826 8.538 -0.712 25489 9531 1 17 . 1 1 26 26 ASP N N 26 129.292 129.292 127.444 1.848 25489 9532 1 17 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.552 -0.091 25489 9533 1 17 . 1 1 26 26 ASP H H 26 8.121 8.121 8.092 0.029 25489 9534 1 17 . 1 1 28 28 GLU N N 28 122.115 122.115 120.832 1.283 25489 9535 1 17 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.258 0.023 25489 9536 1 17 . 1 1 28 28 GLU H H 28 8.262 8.262 7.757 0.505 25489 9537 1 17 . 1 1 29 29 THR N N 29 114.171 114.171 114.551 -0.380 25489 9538 1 17 . 1 1 29 29 THR HA H 29 4.222 4.222 4.319 -0.097 25489 9539 1 17 . 1 1 29 29 THR H H 29 7.496 7.496 7.438 0.058 25489 9540 1 17 . 1 1 30 30 LYS N N 30 123.019 123.019 123.445 -0.426 25489 9541 1 17 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.273 -0.055 25489 9542 1 17 . 1 1 30 30 LYS H H 30 8.154 8.154 7.218 0.936 25489 9543 1 17 . 1 1 32 32 ALA N N 32 126.481 126.481 124.746 1.735 25489 9544 1 17 . 1 1 32 32 ALA HA H 32 4.250 4.250 3.937 0.313 25489 9545 1 17 . 1 1 32 32 ALA H H 32 8.424 8.424 8.648 -0.224 25489 9546 1 17 . 1 1 33 33 ASN N N 33 116.834 116.834 116.328 0.506 25489 9547 1 17 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.572 0.126 25489 9548 1 17 . 1 1 33 33 ASN H H 33 8.312 8.312 8.575 -0.263 25489 9549 1 17 . 1 1 34 34 SER N N 34 116.960 116.960 117.395 -0.435 25489 9550 1 17 . 1 1 34 34 SER HA H 34 4.522 4.522 4.202 0.320 25489 9551 1 17 . 1 1 34 34 SER H H 34 8.112 8.112 7.950 0.162 25489 9552 1 17 . 1 1 35 35 LEU N N 35 125.335 125.335 121.695 3.640 25489 9553 1 17 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.018 -0.467 25489 9554 1 17 . 1 1 35 35 LEU H H 35 8.324 8.324 8.563 -0.239 25489 9555 1 17 . 1 1 36 36 GLU N N 36 119.302 119.302 120.161 -0.859 25489 9556 1 17 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.107 -0.164 25489 9557 1 17 . 1 1 36 36 GLU H H 36 8.239 8.239 8.851 -0.612 25489 9558 1 17 . 1 1 37 37 ALA N N 37 120.683 120.683 121.198 -0.515 25489 9559 1 17 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.142 -0.095 25489 9560 1 17 . 1 1 37 37 ALA H H 37 7.898 7.898 8.164 -0.266 25489 9561 1 17 . 1 1 38 38 LYS N N 38 119.470 119.470 119.712 -0.242 25489 9562 1 17 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.171 0.162 25489 9563 1 17 . 1 1 38 38 LYS H H 38 8.217 8.217 7.476 0.741 25489 9564 1 17 . 1 1 39 39 LEU N N 39 122.664 122.664 120.588 2.076 25489 9565 1 17 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.017 -0.103 25489 9566 1 17 . 1 1 39 39 LEU H H 39 8.658 8.658 8.506 0.152 25489 9567 1 17 . 1 1 40 40 LYS N N 40 118.301 118.301 118.934 -0.633 25489 9568 1 17 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.144 0.529 25489 9569 1 17 . 1 1 40 40 LYS H H 40 8.221 8.221 8.457 -0.236 25489 9570 1 17 . 1 1 41 41 GLU N N 41 121.462 121.462 120.106 1.356 25489 9571 1 17 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.175 -0.107 25489 9572 1 17 . 1 1 41 41 GLU H H 41 7.736 7.736 7.730 0.006 25489 9573 1 17 . 1 1 42 42 MET N N 42 123.761 123.761 118.614 5.147 25489 9574 1 17 . 1 1 42 42 MET HA H 42 4.046 4.046 4.249 -0.203 25489 9575 1 17 . 1 1 42 42 MET H H 42 7.672 7.672 8.342 -0.670 25489 9576 1 17 . 1 1 43 43 GLN N N 43 120.035 120.035 118.342 1.693 25489 9577 1 17 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.264 -0.468 25489 9578 1 17 . 1 1 43 43 GLN H H 43 8.904 8.904 7.988 0.916 25489 9579 1 17 . 1 1 44 44 LYS N N 44 119.131 119.131 122.130 -2.999 25489 9580 1 17 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.117 -0.065 25489 9581 1 17 . 1 1 44 44 LYS H H 44 8.511 8.511 8.141 0.370 25489 9582 1 17 . 1 1 45 45 PHE N N 45 123.544 123.544 117.248 6.296 25489 9583 1 17 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.192 -0.342 25489 9584 1 17 . 1 1 45 45 PHE H H 45 8.438 8.438 8.535 -0.097 25489 9585 1 17 . 1 1 46 46 PHE N N 46 112.789 112.789 115.594 -2.805 25489 9586 1 17 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.785 -0.203 25489 9587 1 17 . 1 1 46 46 PHE H H 46 8.273 8.273 7.936 0.337 25489 9588 1 17 . 1 1 47 47 GLY N N 47 110.408 110.408 106.940 3.468 25489 9589 1 17 . 1 1 47 47 GLY H H 47 7.922 7.922 7.522 0.400 25489 9590 1 17 . 1 1 48 48 LEU N N 48 121.853 121.853 121.857 -0.004 25489 9591 1 17 . 1 1 48 48 LEU H H 48 8.747 8.747 7.670 1.077 25489 9592 1 17 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.378 -0.177 25489 9593 1 17 . 1 1 50 50 ILE N N 50 127.000 127.000 122.408 4.592 25489 9594 1 17 . 1 1 50 50 ILE H H 50 8.529 8.529 7.852 0.677 25489 9595 1 17 . 1 1 51 51 THR N N 51 116.519 116.519 117.410 -0.891 25489 9596 1 17 . 1 1 51 51 THR H H 51 7.980 7.980 8.067 -0.087 25489 9597 1 17 . 1 1 52 52 GLY N N 52 112.725 112.725 110.958 1.767 25489 9598 1 17 . 1 1 52 52 GLY H H 52 9.483 9.483 9.824 -0.341 25489 9599 1 17 . 1 1 53 53 MET N N 53 116.735 116.735 116.393 0.342 25489 9600 1 17 . 1 1 53 53 MET HA H 53 4.044 4.044 4.929 -0.885 25489 9601 1 17 . 1 1 53 53 MET H H 53 7.969 7.969 7.461 0.508 25489 9602 1 17 . 1 1 54 54 LEU N N 54 122.602 122.602 124.059 -1.457 25489 9603 1 17 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.584 -0.878 25489 9604 1 17 . 1 1 54 54 LEU H H 54 7.926 7.926 8.685 -0.759 25489 9605 1 17 . 1 1 55 55 ASN N N 55 115.755 115.755 120.754 -4.999 25489 9606 1 17 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.826 -0.086 25489 9607 1 17 . 1 1 55 55 ASN H H 55 6.555 6.555 8.741 -2.186 25489 9608 1 17 . 1 1 56 56 SER N N 56 121.450 121.450 116.129 5.321 25489 9609 1 17 . 1 1 56 56 SER HA H 56 4.662 4.662 4.624 0.038 25489 9610 1 17 . 1 1 56 56 SER H H 56 8.205 8.205 8.069 0.136 25489 9611 1 17 . 1 1 57 57 ARG N N 57 123.219 123.219 120.658 2.561 25489 9612 1 17 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.023 0.183 25489 9613 1 17 . 1 1 57 57 ARG H H 57 7.883 7.883 8.566 -0.682 25489 9614 1 17 . 1 1 58 58 VAL N N 58 118.843 118.843 117.456 1.387 25489 9615 1 17 . 1 1 58 58 VAL HA H 58 3.300 3.300 2.774 0.526 25489 9616 1 17 . 1 1 58 58 VAL H H 58 7.594 7.594 7.886 -0.292 25489 9617 1 17 . 1 1 59 59 ILE N N 59 119.212 119.212 117.283 1.929 25489 9618 1 17 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.713 -0.244 25489 9619 1 17 . 1 1 59 59 ILE H H 59 7.326 7.326 7.498 -0.172 25489 9620 1 17 . 1 1 60 60 GLU N N 60 119.544 119.544 119.968 -0.424 25489 9621 1 17 . 1 1 60 60 GLU H H 60 7.880 7.880 7.627 0.253 25489 9622 1 17 . 1 1 61 61 ILE N N 61 118.812 118.812 114.885 3.927 25489 9623 1 17 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.821 -0.379 25489 9624 1 17 . 1 1 61 61 ILE H H 61 7.217 7.217 7.408 -0.191 25489 9625 1 17 . 1 1 62 62 MET N N 62 120.202 120.202 116.301 3.901 25489 9626 1 17 . 1 1 62 62 MET HA H 62 3.419 3.419 4.131 -0.712 25489 9627 1 17 . 1 1 62 62 MET H H 62 7.820 7.820 7.048 0.772 25489 9628 1 17 . 1 1 63 63 GLN N N 63 116.274 116.274 116.516 -0.242 25489 9629 1 17 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.178 0.063 25489 9630 1 17 . 1 1 63 63 GLN H H 63 7.442 7.442 7.310 0.132 25489 9631 1 17 . 1 1 64 64 LYS N N 64 121.450 121.450 118.902 2.548 25489 9632 1 17 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.546 -0.047 25489 9633 1 17 . 1 1 64 64 LYS H H 64 7.474 7.474 7.064 0.410 25489 9634 1 17 . 1 1 66 66 ARG N N 66 113.173 113.173 120.284 -7.111 25489 9635 1 17 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.741 -0.302 25489 9636 1 17 . 1 1 66 66 ARG H H 66 8.151 8.151 7.981 0.170 25489 9637 1 17 . 1 1 67 67 CYS N N 67 121.794 121.794 120.567 1.227 25489 9638 1 17 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.670 -0.250 25489 9639 1 17 . 1 1 67 67 CYS H H 67 7.709 7.709 8.949 -1.240 25489 9640 1 17 . 1 1 68 68 GLY N N 68 116.255 116.255 115.117 1.138 25489 9641 1 17 . 1 1 68 68 GLY H H 68 9.707 9.707 8.351 1.356 25489 9642 1 17 . 1 1 69 69 VAL N N 69 126.541 126.541 115.362 11.179 25489 9643 1 17 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.661 -0.854 25489 9644 1 17 . 1 1 69 69 VAL H H 69 9.118 9.118 7.420 1.698 25489 9645 1 17 . 1 1 71 71 ASP N N 71 119.114 119.114 121.369 -2.255 25489 9646 1 17 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.304 0.179 25489 9647 1 17 . 1 1 71 71 ASP H H 71 8.067 8.067 8.545 -0.478 25489 9648 1 17 . 1 1 72 72 VAL N N 72 112.988 112.988 116.578 -3.590 25489 9649 1 17 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.306 0.975 25489 9650 1 17 . 1 1 72 72 VAL H H 72 6.438 6.438 7.487 -1.049 25489 9651 1 17 . 1 1 73 73 ALA N N 73 125.902 125.902 128.942 -3.040 25489 9652 1 17 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.069 0.198 25489 9653 1 17 . 1 1 73 73 ALA H H 73 8.171 8.171 6.587 1.584 25489 9654 1 17 . 1 1 74 74 GLU N N 74 120.835 120.835 121.336 -0.501 25489 9655 1 17 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.463 -0.380 25489 9656 1 17 . 1 1 74 74 GLU H H 74 8.385 8.385 8.369 0.016 25489 9657 1 17 . 1 1 75 75 TYR N N 75 121.820 121.820 120.986 0.834 25489 9658 1 17 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.914 -0.520 25489 9659 1 17 . 1 1 75 75 TYR H H 75 8.102 8.102 7.433 0.669 25489 9660 1 17 . 1 1 76 76 SER N N 76 117.881 117.881 118.562 -0.681 25489 9661 1 17 . 1 1 76 76 SER H H 76 7.718 7.718 8.797 -1.079 25489 9662 1 17 . 1 1 77 77 LEU N N 77 123.835 123.835 119.142 4.693 25489 9663 1 17 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.129 -0.037 25489 9664 1 17 . 1 1 77 77 LEU H H 77 8.033 8.033 8.717 -0.684 25489 9665 1 17 . 1 1 78 78 PHE N N 78 118.893 118.893 123.470 -4.577 25489 9666 1 17 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.390 0.455 25489 9667 1 17 . 1 1 78 78 PHE H H 78 7.822 7.822 7.607 0.215 25489 9668 1 17 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.275 0.056 25489 9669 1 17 . 1 1 80 80 ASN N N 80 118.184 118.184 120.530 -2.346 25489 9670 1 17 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.763 -0.083 25489 9671 1 17 . 1 1 80 80 ASN H H 80 8.106 8.106 8.381 -0.275 25489 9672 1 17 . 1 1 81 81 SER HA H 81 4.636 4.636 4.827 -0.191 25489 9673 1 17 . 1 1 83 83 LYS N N 83 114.696 114.696 114.260 0.436 25489 9674 1 17 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.591 -0.368 25489 9675 1 17 . 1 1 83 83 LYS H H 83 7.361 7.361 7.209 0.152 25489 9676 1 17 . 1 1 84 84 TRP N N 84 122.459 122.459 122.914 -0.455 25489 9677 1 17 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.782 -0.779 25489 9678 1 17 . 1 1 84 84 TRP H H 84 8.020 8.020 8.483 -0.463 25489 9679 1 17 . 1 1 85 85 THR N N 85 113.482 113.482 117.712 -4.230 25489 9680 1 17 . 1 1 85 85 THR HA H 85 4.586 4.586 4.369 0.217 25489 9681 1 17 . 1 1 85 85 THR H H 85 8.833 8.833 7.945 0.888 25489 9682 1 17 . 1 1 86 86 SER N N 86 117.316 117.316 116.137 1.179 25489 9683 1 17 . 1 1 86 86 SER HA H 86 4.665 4.665 4.296 0.369 25489 9684 1 17 . 1 1 86 86 SER H H 86 7.724 7.724 7.111 0.613 25489 9685 1 17 . 1 1 87 87 LYS N N 87 120.411 120.411 124.233 -3.822 25489 9686 1 17 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.172 -0.033 25489 9687 1 17 . 1 1 87 87 LYS H H 87 8.312 8.312 8.719 -0.407 25489 9688 1 17 . 1 1 88 88 VAL N N 88 117.674 117.674 111.959 5.715 25489 9689 1 17 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.510 0.141 25489 9690 1 17 . 1 1 88 88 VAL H H 88 7.425 7.425 7.495 -0.070 25489 9691 1 17 . 1 1 89 89 VAL N N 89 131.493 131.493 121.404 10.089 25489 9692 1 17 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.643 -0.502 25489 9693 1 17 . 1 1 89 89 VAL H H 89 8.574 8.574 8.547 0.027 25489 9694 1 17 . 1 1 90 90 THR N N 90 118.245 118.245 117.931 0.314 25489 9695 1 17 . 1 1 90 90 THR HA H 90 5.627 5.627 5.584 0.043 25489 9696 1 17 . 1 1 90 90 THR H H 90 9.021 9.021 8.250 0.771 25489 9697 1 17 . 1 1 91 91 TYR N N 91 118.267 118.267 120.083 -1.816 25489 9698 1 17 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.620 0.054 25489 9699 1 17 . 1 1 91 91 TYR H H 91 8.555 8.555 8.824 -0.269 25489 9700 1 17 . 1 1 92 92 ARG N N 92 120.260 120.260 120.499 -0.239 25489 9701 1 17 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.881 -0.235 25489 9702 1 17 . 1 1 92 92 ARG H H 92 8.513 8.513 8.296 0.217 25489 9703 1 17 . 1 1 93 93 ILE N N 93 128.361 128.361 127.843 0.518 25489 9704 1 17 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.536 0.083 25489 9705 1 17 . 1 1 93 93 ILE H H 93 8.878 8.878 9.099 -0.221 25489 9706 1 17 . 1 1 94 94 VAL N N 94 126.374 126.374 121.444 4.930 25489 9707 1 17 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.100 -0.100 25489 9708 1 17 . 1 1 94 94 VAL H H 94 9.492 9.492 8.086 1.406 25489 9709 1 17 . 1 1 95 95 SER N N 95 113.303 113.303 114.061 -0.758 25489 9710 1 17 . 1 1 95 95 SER HA H 95 4.705 4.705 4.757 -0.052 25489 9711 1 17 . 1 1 95 95 SER H H 95 7.431 7.431 7.570 -0.139 25489 9712 1 17 . 1 1 96 96 TYR N N 96 117.054 117.054 118.393 -1.339 25489 9713 1 17 . 1 1 96 96 TYR H H 96 8.255 8.255 8.238 0.017 25489 9714 1 17 . 1 1 98 98 ARG N N 98 128.445 128.445 126.204 2.241 25489 9715 1 17 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.204 0.134 25489 9716 1 17 . 1 1 98 98 ARG H H 98 8.964 8.964 8.983 -0.019 25489 9717 1 17 . 1 1 99 99 ASP N N 99 120.412 120.412 118.220 2.192 25489 9718 1 17 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.536 -0.201 25489 9719 1 17 . 1 1 99 99 ASP H H 99 8.695 8.695 7.699 0.996 25489 9720 1 17 . 1 1 100 100 LEU N N 100 116.851 116.851 118.705 -1.854 25489 9721 1 17 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.642 0.291 25489 9722 1 17 . 1 1 100 100 LEU H H 100 6.902 6.902 7.083 -0.181 25489 9723 1 17 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.184 -0.017 25489 9724 1 17 . 1 1 103 103 ILE N N 103 115.469 115.469 115.031 0.438 25489 9725 1 17 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.810 0.363 25489 9726 1 17 . 1 1 103 103 ILE H H 103 8.296 8.296 8.034 0.262 25489 9727 1 17 . 1 1 104 104 THR N N 104 119.413 119.413 117.041 2.372 25489 9728 1 17 . 1 1 104 104 THR HA H 104 4.019 4.019 4.105 -0.086 25489 9729 1 17 . 1 1 104 104 THR H H 104 6.915 6.915 7.765 -0.850 25489 9730 1 17 . 1 1 105 105 VAL N N 105 123.232 123.232 118.857 4.375 25489 9731 1 17 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.501 -0.087 25489 9732 1 17 . 1 1 105 105 VAL H H 105 7.379 7.379 7.675 -0.296 25489 9733 1 17 . 1 1 106 106 ASP N N 106 120.160 120.160 121.560 -1.400 25489 9734 1 17 . 1 1 106 106 ASP H H 106 8.615 8.615 8.102 0.513 25489 9735 1 17 . 1 1 107 107 ARG N N 107 121.041 121.041 118.711 2.330 25489 9736 1 17 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.074 0.016 25489 9737 1 17 . 1 1 107 107 ARG H H 107 8.372 8.372 7.469 0.903 25489 9738 1 17 . 1 1 108 108 LEU N N 108 121.644 121.644 119.850 1.794 25489 9739 1 17 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.076 0.177 25489 9740 1 17 . 1 1 108 108 LEU H H 108 8.768 8.768 8.112 0.656 25489 9741 1 17 . 1 1 109 109 VAL N N 109 120.347 120.347 121.003 -0.656 25489 9742 1 17 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.449 -0.078 25489 9743 1 17 . 1 1 109 109 VAL H H 109 8.762 8.762 8.601 0.161 25489 9744 1 17 . 1 1 110 110 SER N N 110 112.949 112.949 115.078 -2.129 25489 9745 1 17 . 1 1 110 110 SER HA H 110 4.270 4.270 3.748 0.522 25489 9746 1 17 . 1 1 110 110 SER H H 110 7.605 7.605 8.276 -0.671 25489 9747 1 17 . 1 1 111 111 LYS N N 111 122.434 122.434 120.752 1.682 25489 9748 1 17 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.935 0.107 25489 9749 1 17 . 1 1 111 111 LYS H H 111 8.146 8.146 7.930 0.216 25489 9750 1 17 . 1 1 112 112 ALA N N 112 124.099 124.099 121.400 2.699 25489 9751 1 17 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.773 0.304 25489 9752 1 17 . 1 1 112 112 ALA H H 112 8.270 8.270 7.826 0.444 25489 9753 1 17 . 1 1 113 113 LEU N N 113 116.251 116.251 118.058 -1.807 25489 9754 1 17 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.699 0.023 25489 9755 1 17 . 1 1 113 113 LEU H H 113 8.019 8.019 8.338 -0.319 25489 9756 1 17 . 1 1 114 114 ASN N N 114 116.659 116.659 117.899 -1.240 25489 9757 1 17 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.446 0.083 25489 9758 1 17 . 1 1 114 114 ASN H H 114 8.197 8.197 8.290 -0.093 25489 9759 1 17 . 1 1 115 115 MET N N 115 122.118 122.118 119.515 2.603 25489 9760 1 17 . 1 1 115 115 MET HA H 115 4.013 4.013 4.169 -0.156 25489 9761 1 17 . 1 1 115 115 MET H H 115 7.918 7.918 7.679 0.239 25489 9762 1 17 . 1 1 116 116 TRP N N 116 117.117 117.117 117.136 -0.019 25489 9763 1 17 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.542 -0.032 25489 9764 1 17 . 1 1 116 116 TRP H H 116 6.773 6.773 7.461 -0.688 25489 9765 1 17 . 1 1 117 117 GLY N N 117 104.656 104.656 107.409 -2.753 25489 9766 1 17 . 1 1 117 117 GLY H H 117 9.305 9.305 7.946 1.359 25489 9767 1 17 . 1 1 118 118 LYS N N 118 118.567 118.567 119.384 -0.817 25489 9768 1 17 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.193 -0.016 25489 9769 1 17 . 1 1 118 118 LYS H H 118 7.947 7.947 7.765 0.182 25489 9770 1 17 . 1 1 119 119 GLU N N 119 113.899 113.899 116.902 -3.003 25489 9771 1 17 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.405 0.403 25489 9772 1 17 . 1 1 119 119 GLU H H 119 7.773 7.773 7.600 0.173 25489 9773 1 17 . 1 1 120 120 ILE N N 120 111.215 111.215 119.026 -7.811 25489 9774 1 17 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.627 0.694 25489 9775 1 17 . 1 1 120 120 ILE H H 120 7.528 7.528 7.327 0.201 25489 9776 1 17 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.447 0.174 25489 9777 1 17 . 1 1 122 122 LEU N N 122 121.481 121.481 117.533 3.948 25489 9778 1 17 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.234 0.058 25489 9779 1 17 . 1 1 122 122 LEU H H 122 6.815 6.815 7.299 -0.484 25489 9780 1 17 . 1 1 123 123 HIS N N 123 120.769 120.769 120.727 0.042 25489 9781 1 17 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.774 -0.182 25489 9782 1 17 . 1 1 123 123 HIS H H 123 7.709 7.709 8.365 -0.656 25489 9783 1 17 . 1 1 124 124 PHE N N 124 120.530 120.530 118.991 1.539 25489 9784 1 17 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.954 0.858 25489 9785 1 17 . 1 1 124 124 PHE H H 124 8.306 8.306 7.185 1.121 25489 9786 1 17 . 1 1 125 125 ARG N N 125 123.891 123.891 124.366 -0.475 25489 9787 1 17 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.704 -0.051 25489 9788 1 17 . 1 1 125 125 ARG H H 125 8.408 8.408 8.596 -0.188 25489 9789 1 17 . 1 1 126 126 LYS N N 126 130.178 130.178 125.573 4.605 25489 9790 1 17 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.430 -0.069 25489 9791 1 17 . 1 1 126 126 LYS H H 126 8.468 8.468 8.653 -0.185 25489 9792 1 17 . 1 1 127 127 VAL N N 127 125.180 125.180 124.968 0.212 25489 9793 1 17 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.354 0.154 25489 9794 1 17 . 1 1 127 127 VAL H H 127 8.679 8.679 7.917 0.762 25489 9795 1 17 . 1 1 128 128 VAL N N 128 117.584 117.584 115.677 1.907 25489 9796 1 17 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.526 -0.240 25489 9797 1 17 . 1 1 128 128 VAL H H 128 8.469 8.469 8.378 0.091 25489 9798 1 17 . 1 1 129 129 TRP N N 129 119.805 119.805 119.403 0.402 25489 9799 1 17 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.593 0.093 25489 9800 1 17 . 1 1 129 129 TRP H H 129 7.447 7.447 7.677 -0.230 25489 9801 1 17 . 1 1 130 130 GLY N N 130 109.844 109.844 113.136 -3.292 25489 9802 1 17 . 1 1 130 130 GLY H H 130 8.072 8.072 7.617 0.455 25489 9803 1 17 . 1 1 131 131 THR N N 131 116.125 116.125 112.722 3.403 25489 9804 1 17 . 1 1 131 131 THR HA H 131 4.123 4.123 4.146 -0.023 25489 9805 1 17 . 1 1 131 131 THR H H 131 8.196 8.196 8.122 0.074 25489 9806 1 17 . 1 1 132 132 ALA N N 132 129.613 129.613 129.898 -0.285 25489 9807 1 17 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.567 -0.056 25489 9808 1 17 . 1 1 132 132 ALA H H 132 7.919 7.919 8.297 -0.378 25489 9809 1 17 . 1 1 133 133 ASP N N 133 123.004 123.004 120.842 2.162 25489 9810 1 17 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.715 -0.273 25489 9811 1 17 . 1 1 133 133 ASP H H 133 8.248 8.248 8.399 -0.151 25489 9812 1 17 . 1 1 134 134 ILE N N 134 125.478 125.478 122.813 2.665 25489 9813 1 17 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.385 -0.292 25489 9814 1 17 . 1 1 134 134 ILE H H 134 8.804 8.804 7.698 1.106 25489 9815 1 17 . 1 1 135 135 MET N N 135 127.471 127.471 126.460 1.011 25489 9816 1 17 . 1 1 135 135 MET HA H 135 5.194 5.194 5.056 0.138 25489 9817 1 17 . 1 1 135 135 MET H H 135 7.437 7.437 8.143 -0.706 25489 9818 1 17 . 1 1 136 136 ILE N N 136 125.040 125.040 125.019 0.021 25489 9819 1 17 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.482 1.095 25489 9820 1 17 . 1 1 136 136 ILE H H 136 9.085 9.085 8.024 1.061 25489 9821 1 17 . 1 1 137 137 GLY N N 137 112.059 112.059 113.640 -1.581 25489 9822 1 17 . 1 1 137 137 GLY H H 137 8.568 8.568 8.044 0.524 25489 9823 1 17 . 1 1 138 138 PHE N N 138 119.447 119.447 119.712 -0.265 25489 9824 1 17 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.509 -0.055 25489 9825 1 17 . 1 1 138 138 PHE H H 138 7.861 7.861 7.994 -0.133 25489 9826 1 17 . 1 1 139 139 ALA N N 139 123.657 123.657 124.647 -0.990 25489 9827 1 17 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.621 0.114 25489 9828 1 17 . 1 1 139 139 ALA H H 139 8.939 8.939 9.141 -0.202 25489 9829 1 17 . 1 1 140 140 ARG N N 140 118.688 118.688 119.212 -0.524 25489 9830 1 17 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.692 0.382 25489 9831 1 17 . 1 1 140 140 ARG H H 140 8.563 8.563 8.559 0.004 25489 9832 1 17 . 1 1 141 141 GLY N N 141 108.964 108.964 107.876 1.088 25489 9833 1 17 . 1 1 141 141 GLY H H 141 9.018 9.018 8.370 0.648 25489 9834 1 17 . 1 1 143 143 HIS N N 143 120.218 120.218 114.986 5.232 25489 9835 1 17 . 1 1 143 143 HIS H H 143 8.998 8.998 7.848 1.150 25489 9836 1 17 . 1 1 145 145 ASP N N 145 117.684 117.684 120.434 -2.750 25489 9837 1 17 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.428 0.272 25489 9838 1 17 . 1 1 145 145 ASP H H 145 7.088 7.088 8.546 -1.458 25489 9839 1 17 . 1 1 146 146 SER HA H 146 4.140 4.140 4.422 -0.282 25489 9840 1 17 . 1 1 146 146 SER H H 146 8.220 8.220 7.357 0.863 25489 9841 1 17 . 1 1 147 147 TYR N N 147 120.867 120.867 124.655 -3.788 25489 9842 1 17 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.356 0.432 25489 9843 1 17 . 1 1 147 147 TYR H H 147 7.459 7.459 8.742 -1.283 25489 9844 1 17 . 1 1 149 149 PHE N N 149 120.630 120.630 120.096 0.534 25489 9845 1 17 . 1 1 149 149 PHE H H 149 8.018 8.018 8.812 -0.794 25489 9846 1 17 . 1 1 150 150 ASP N N 150 115.626 115.626 116.657 -1.031 25489 9847 1 17 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.345 0.498 25489 9848 1 17 . 1 1 150 150 ASP H H 150 7.543 7.543 8.060 -0.517 25489 9849 1 17 . 1 1 151 151 GLY N N 151 110.700 110.700 108.526 2.174 25489 9850 1 17 . 1 1 151 151 GLY H H 151 9.074 9.074 8.027 1.047 25489 9851 1 17 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.514 -0.488 25489 9852 1 17 . 1 1 153 153 GLY N N 153 118.786 118.786 115.731 3.055 25489 9853 1 17 . 1 1 153 153 GLY H H 153 11.385 11.385 8.244 3.141 25489 9854 1 17 . 1 1 154 154 ASN N N 154 120.613 120.613 124.673 -4.060 25489 9855 1 17 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.408 -0.210 25489 9856 1 17 . 1 1 154 154 ASN H H 154 9.225 9.225 8.408 0.817 25489 9857 1 17 . 1 1 155 155 THR N N 155 118.700 118.700 115.332 3.368 25489 9858 1 17 . 1 1 155 155 THR HA H 155 5.542 5.542 4.111 1.431 25489 9859 1 17 . 1 1 155 155 THR H H 155 9.519 9.519 8.418 1.101 25489 9860 1 17 . 1 1 156 156 LEU N N 156 122.765 122.765 124.175 -1.410 25489 9861 1 17 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.592 0.350 25489 9862 1 17 . 1 1 156 156 LEU H H 156 8.500 8.500 8.952 -0.452 25489 9863 1 17 . 1 1 157 157 ALA N N 157 115.545 115.545 117.274 -1.729 25489 9864 1 17 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.141 -0.134 25489 9865 1 17 . 1 1 157 157 ALA H H 157 7.545 7.545 7.406 0.139 25489 9866 1 17 . 1 1 158 158 HIS N N 158 111.868 111.868 114.706 -2.838 25489 9867 1 17 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.063 -0.446 25489 9868 1 17 . 1 1 158 158 HIS H H 158 8.774 8.774 8.760 0.014 25489 9869 1 17 . 1 1 159 159 ALA N N 159 118.565 118.565 121.580 -3.015 25489 9870 1 17 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.639 0.018 25489 9871 1 17 . 1 1 159 159 ALA H H 159 6.114 6.114 8.273 -2.159 25489 9872 1 17 . 1 1 160 160 PHE N N 160 118.042 118.042 119.481 -1.439 25489 9873 1 17 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.674 -0.193 25489 9874 1 17 . 1 1 160 160 PHE H H 160 7.897 7.897 8.158 -0.261 25489 9875 1 17 . 1 1 161 161 ALA N N 161 123.548 123.548 123.751 -0.203 25489 9876 1 17 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.419 0.064 25489 9877 1 17 . 1 1 161 161 ALA H H 161 8.089 8.089 8.564 -0.475 25489 9878 1 17 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.306 -1.435 25489 9879 1 17 . 1 1 163 163 GLY N N 163 107.255 107.255 108.759 -1.504 25489 9880 1 17 . 1 1 163 163 GLY H H 163 5.992 5.992 8.205 -2.213 25489 9881 1 17 . 1 1 165 165 GLY H H 165 9.149 9.149 8.030 1.119 25489 9882 1 17 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.155 -0.002 25489 9883 1 17 . 1 1 167 167 GLY N N 167 103.338 103.338 103.923 -0.585 25489 9884 1 17 . 1 1 167 167 GLY H H 167 7.774 7.774 7.292 0.482 25489 9885 1 17 . 1 1 168 168 GLY N N 168 121.031 121.031 109.936 11.095 25489 9886 1 17 . 1 1 168 168 GLY H H 168 7.685 7.685 8.434 -0.749 25489 9887 1 17 . 1 1 169 169 ASP N N 169 123.703 123.703 123.595 0.108 25489 9888 1 17 . 1 1 169 169 ASP H H 169 8.578 8.578 7.655 0.923 25489 9889 1 17 . 1 1 170 170 ALA N N 170 119.569 119.569 120.917 -1.348 25489 9890 1 17 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.941 -0.237 25489 9891 1 17 . 1 1 170 170 ALA H H 170 8.371 8.371 8.006 0.365 25489 9892 1 17 . 1 1 171 171 HIS N N 171 120.286 120.286 119.614 0.672 25489 9893 1 17 . 1 1 171 171 HIS HA H 171 5.730 5.730 5.218 0.512 25489 9894 1 17 . 1 1 171 171 HIS H H 171 8.513 8.513 8.437 0.076 25489 9895 1 17 . 1 1 172 172 PHE N N 172 120.919 120.919 123.999 -3.080 25489 9896 1 17 . 1 1 172 172 PHE H H 172 8.457 8.457 8.821 -0.364 25489 9897 1 17 . 1 1 173 173 ASP N N 173 123.993 123.993 122.842 1.151 25489 9898 1 17 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.191 -1.295 25489 9899 1 17 . 1 1 173 173 ASP H H 173 7.915 7.915 8.945 -1.030 25489 9900 1 17 . 1 1 174 174 GLU N N 174 132.684 132.684 126.603 6.081 25489 9901 1 17 . 1 1 174 174 GLU H H 174 9.461 9.461 8.357 1.104 25489 9902 1 17 . 1 1 175 175 ASP N N 175 117.313 117.313 119.590 -2.277 25489 9903 1 17 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.561 0.236 25489 9904 1 17 . 1 1 175 175 ASP H H 175 8.756 8.756 8.338 0.418 25489 9905 1 17 . 1 1 176 176 GLU N N 176 116.511 116.511 119.731 -3.220 25489 9906 1 17 . 1 1 176 176 GLU H H 176 7.154 7.154 7.872 -0.718 25489 9907 1 17 . 1 1 177 177 ARG N N 177 121.920 121.920 123.740 -1.820 25489 9908 1 17 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.462 0.163 25489 9909 1 17 . 1 1 177 177 ARG H H 177 7.555 7.555 8.310 -0.755 25489 9910 1 17 . 1 1 178 178 TRP N N 178 129.182 129.182 126.202 2.980 25489 9911 1 17 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.340 -0.227 25489 9912 1 17 . 1 1 178 178 TRP H H 178 8.788 8.788 8.639 0.149 25489 9913 1 17 . 1 1 179 179 THR N N 179 112.874 112.874 115.104 -2.230 25489 9914 1 17 . 1 1 179 179 THR HA H 179 5.015 5.015 4.757 0.258 25489 9915 1 17 . 1 1 179 179 THR H H 179 8.946 8.946 8.767 0.179 25489 9916 1 17 . 1 1 180 180 ASP N N 180 121.969 121.969 125.652 -3.683 25489 9917 1 17 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.801 -0.379 25489 9918 1 17 . 1 1 180 180 ASP H H 180 8.478 8.478 8.598 -0.120 25489 9919 1 17 . 1 1 181 181 GLY N N 181 110.059 110.059 107.081 2.978 25489 9920 1 17 . 1 1 181 181 GLY H H 181 8.572 8.572 8.129 0.443 25489 9921 1 17 . 1 1 182 182 SER N N 182 115.564 115.564 116.296 -0.732 25489 9922 1 17 . 1 1 182 182 SER HA H 182 4.599 4.599 4.397 0.202 25489 9923 1 17 . 1 1 182 182 SER H H 182 8.173 8.173 7.829 0.344 25489 9924 1 17 . 1 1 183 183 SER N N 183 117.066 117.066 113.725 3.341 25489 9925 1 17 . 1 1 183 183 SER H H 183 7.819 7.819 8.484 -0.665 25489 9926 1 17 . 1 1 184 184 LEU N N 184 121.954 121.954 121.454 0.500 25489 9927 1 17 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.329 0.033 25489 9928 1 17 . 1 1 184 184 LEU H H 184 8.104 8.104 7.469 0.635 25489 9929 1 17 . 1 1 185 185 GLY N N 185 108.989 108.989 105.438 3.551 25489 9930 1 17 . 1 1 185 185 GLY H H 185 7.954 7.954 7.591 0.363 25489 9931 1 17 . 1 1 186 186 ILE N N 186 123.084 123.084 120.919 2.165 25489 9932 1 17 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.913 -0.134 25489 9933 1 17 . 1 1 186 186 ILE H H 186 8.878 8.878 8.212 0.666 25489 9934 1 17 . 1 1 187 187 ASN N N 187 126.999 126.999 125.621 1.378 25489 9935 1 17 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.597 -0.201 25489 9936 1 17 . 1 1 187 187 ASN H H 187 8.575 8.575 7.563 1.012 25489 9937 1 17 . 1 1 188 188 PHE N N 188 129.819 129.819 128.060 1.759 25489 9938 1 17 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.562 0.029 25489 9939 1 17 . 1 1 188 188 PHE H H 188 9.365 9.365 8.305 1.060 25489 9940 1 17 . 1 1 189 189 LEU N N 189 119.292 119.292 121.956 -2.664 25489 9941 1 17 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.755 0.078 25489 9942 1 17 . 1 1 189 189 LEU H H 189 8.551 8.551 8.205 0.346 25489 9943 1 17 . 1 1 191 191 ALA N N 191 120.347 120.347 119.579 0.768 25489 9944 1 17 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.259 0.038 25489 9945 1 17 . 1 1 191 191 ALA H H 191 7.973 7.973 7.686 0.287 25489 9946 1 17 . 1 1 192 192 ALA N N 192 121.365 121.365 121.465 -0.100 25489 9947 1 17 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.984 0.033 25489 9948 1 17 . 1 1 192 192 ALA H H 192 9.258 9.258 8.217 1.041 25489 9949 1 17 . 1 1 193 193 THR N N 193 117.027 117.027 113.075 3.952 25489 9950 1 17 . 1 1 193 193 THR HA H 193 3.825 3.825 3.814 0.011 25489 9951 1 17 . 1 1 193 193 THR H H 193 8.209 8.209 7.749 0.460 25489 9952 1 17 . 1 1 194 194 HIS N N 194 120.231 120.231 123.074 -2.843 25489 9953 1 17 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.169 0.064 25489 9954 1 17 . 1 1 194 194 HIS H H 194 7.805 7.805 7.673 0.132 25489 9955 1 17 . 1 1 195 195 ALA N N 195 121.346 121.346 119.601 1.745 25489 9956 1 17 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.866 0.314 25489 9957 1 17 . 1 1 195 195 ALA H H 195 8.693 8.693 7.650 1.043 25489 9958 1 17 . 1 1 196 196 LEU N N 196 114.951 114.951 116.898 -1.947 25489 9959 1 17 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.436 -0.278 25489 9960 1 17 . 1 1 196 196 LEU H H 196 8.714 8.714 7.907 0.807 25489 9961 1 17 . 1 1 197 197 GLY N N 197 107.954 107.954 106.631 1.323 25489 9962 1 17 . 1 1 197 197 GLY H H 197 7.540 7.540 8.157 -0.617 25489 9963 1 17 . 1 1 198 198 HIS N N 198 121.996 121.996 118.355 3.641 25489 9964 1 17 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.331 0.478 25489 9965 1 17 . 1 1 198 198 HIS H H 198 7.205 7.205 7.161 0.044 25489 9966 1 17 . 1 1 199 199 SER N N 199 118.570 118.570 115.101 3.469 25489 9967 1 17 . 1 1 199 199 SER HA H 199 4.448 4.448 4.276 0.172 25489 9968 1 17 . 1 1 199 199 SER H H 199 7.886 7.886 7.831 0.055 25489 9969 1 17 . 1 1 200 200 LEU N N 200 114.779 114.779 119.892 -5.113 25489 9970 1 17 . 1 1 200 200 LEU H H 200 7.106 7.106 7.467 -0.361 25489 9971 1 17 . 1 1 201 201 GLY N N 201 108.350 108.350 105.061 3.289 25489 9972 1 17 . 1 1 201 201 GLY H H 201 8.213 8.213 7.364 0.849 25489 9973 1 17 . 1 1 202 202 MET N N 202 119.623 119.623 120.202 -0.579 25489 9974 1 17 . 1 1 202 202 MET HA H 202 4.484 4.484 4.209 0.275 25489 9975 1 17 . 1 1 202 202 MET H H 202 8.189 8.189 7.226 0.963 25489 9976 1 17 . 1 1 203 203 GLY N N 203 109.770 109.770 106.926 2.844 25489 9977 1 17 . 1 1 203 203 GLY H H 203 8.413 8.413 8.090 0.323 25489 9978 1 17 . 1 1 204 204 HIS N N 204 115.793 115.793 118.048 -2.255 25489 9979 1 17 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.757 0.617 25489 9980 1 17 . 1 1 204 204 HIS H H 204 8.383 8.383 8.269 0.114 25489 9981 1 17 . 1 1 205 205 SER N N 205 115.497 115.497 114.281 1.216 25489 9982 1 17 . 1 1 205 205 SER HA H 205 4.721 4.721 4.794 -0.073 25489 9983 1 17 . 1 1 205 205 SER H H 205 7.223 7.223 8.525 -1.302 25489 9984 1 17 . 1 1 206 206 SER N N 206 119.268 119.268 115.528 3.740 25489 9985 1 17 . 1 1 206 206 SER HA H 206 3.721 3.721 4.598 -0.877 25489 9986 1 17 . 1 1 206 206 SER H H 206 8.290 8.290 8.485 -0.195 25489 9987 1 17 . 1 1 207 207 ASP N N 207 126.656 126.656 121.364 5.292 25489 9988 1 17 . 1 1 207 207 ASP H H 207 8.541 8.541 7.876 0.665 25489 9989 1 17 . 1 1 209 209 ASN N N 209 115.911 115.911 115.754 0.157 25489 9990 1 17 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.833 -0.217 25489 9991 1 17 . 1 1 209 209 ASN H H 209 8.374 8.374 8.371 0.003 25489 9992 1 17 . 1 1 210 210 ALA N N 210 124.929 124.929 121.855 3.074 25489 9993 1 17 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.564 -0.410 25489 9994 1 17 . 1 1 210 210 ALA H H 210 8.182 8.182 7.228 0.954 25489 9995 1 17 . 1 1 211 211 VAL N N 211 130.383 130.383 123.944 6.439 25489 9996 1 17 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.346 0.904 25489 9997 1 17 . 1 1 211 211 VAL H H 211 11.554 11.554 9.159 2.395 25489 9998 1 17 . 1 1 212 212 MET N N 212 113.319 113.319 115.006 -1.687 25489 9999 1 17 . 1 1 212 212 MET H H 212 7.741 7.741 8.532 -0.791 25489 10000 1 17 . 1 1 213 213 TYR N N 213 130.006 130.006 122.780 7.226 25489 10001 1 17 . 1 1 213 213 TYR H H 213 7.899 7.899 7.418 0.481 25489 10002 1 17 . 1 1 215 215 THR N N 215 104.747 104.747 111.692 -6.945 25489 10003 1 17 . 1 1 215 215 THR HA H 215 4.404 4.404 4.553 -0.149 25489 10004 1 17 . 1 1 215 215 THR H H 215 6.402 6.402 7.277 -0.875 25489 10005 1 17 . 1 1 216 216 TYR N N 216 124.699 124.699 125.039 -0.340 25489 10006 1 17 . 1 1 216 216 TYR H H 216 8.341 8.341 8.837 -0.496 25489 10007 1 17 . 1 1 217 217 GLY N N 217 116.288 116.288 113.197 3.091 25489 10008 1 17 . 1 1 217 217 GLY H H 217 7.685 7.685 7.729 -0.044 25489 10009 1 17 . 1 1 218 218 ASN N N 218 119.920 119.920 115.955 3.965 25489 10010 1 17 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.243 0.377 25489 10011 1 17 . 1 1 218 218 ASN H H 218 8.221 8.221 8.572 -0.351 25489 10012 1 17 . 1 1 219 219 GLY N N 219 109.601 109.601 108.933 0.668 25489 10013 1 17 . 1 1 219 219 GLY H H 219 8.072 8.072 7.707 0.365 25489 10014 1 17 . 1 1 220 220 ASP N N 220 123.006 123.006 122.171 0.835 25489 10015 1 17 . 1 1 220 220 ASP H H 220 8.280 8.280 8.462 -0.182 25489 10016 1 17 . 1 1 222 222 GLN N N 222 116.642 116.642 121.545 -4.903 25489 10017 1 17 . 1 1 222 222 GLN H H 222 8.215 8.215 8.835 -0.620 25489 10018 1 17 . 1 1 223 223 ASN N N 223 118.361 118.361 116.288 2.073 25489 10019 1 17 . 1 1 223 223 ASN H H 223 7.970 7.970 8.199 -0.229 25489 10020 1 17 . 1 1 225 225 LYS N N 225 122.215 122.215 125.930 -3.715 25489 10021 1 17 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.762 -0.346 25489 10022 1 17 . 1 1 225 225 LYS H H 225 7.656 7.656 7.880 -0.224 25489 10023 1 17 . 1 1 226 226 LEU N N 226 119.165 119.165 121.663 -2.498 25489 10024 1 17 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.725 -0.637 25489 10025 1 17 . 1 1 226 226 LEU H H 226 7.984 7.984 8.393 -0.409 25489 10026 1 17 . 1 1 227 227 SER N N 227 120.520 120.520 117.710 2.810 25489 10027 1 17 . 1 1 227 227 SER HA H 227 4.676 4.676 4.695 -0.019 25489 10028 1 17 . 1 1 227 227 SER H H 227 9.646 9.646 9.576 0.070 25489 10029 1 17 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.108 0.566 25489 10030 1 17 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.543 -0.169 25489 10031 1 17 . 1 1 229 229 ASP H H 229 8.113 8.113 7.753 0.360 25489 10032 1 17 . 1 1 230 230 ASP N N 230 119.878 119.878 120.595 -0.717 25489 10033 1 17 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.632 -0.294 25489 10034 1 17 . 1 1 230 230 ASP H H 230 7.397 7.397 7.897 -0.500 25489 10035 1 17 . 1 1 231 231 ILE N N 231 120.389 120.389 121.217 -0.828 25489 10036 1 17 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.664 -0.009 25489 10037 1 17 . 1 1 231 231 ILE H H 231 8.100 8.100 7.938 0.162 25489 10038 1 17 . 1 1 232 232 LYS N N 232 119.084 119.084 117.652 1.432 25489 10039 1 17 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.010 0.085 25489 10040 1 17 . 1 1 232 232 LYS H H 232 8.581 8.581 8.026 0.555 25489 10041 1 17 . 1 1 233 233 GLY N N 233 106.424 106.424 104.882 1.542 25489 10042 1 17 . 1 1 233 233 GLY H H 233 8.061 8.061 7.594 0.467 25489 10043 1 17 . 1 1 234 234 ILE N N 234 125.166 125.166 122.479 2.687 25489 10044 1 17 . 1 1 234 234 ILE H H 234 8.517 8.517 7.610 0.907 25489 10045 1 17 . 1 1 235 235 GLN N N 235 122.969 122.969 118.359 4.610 25489 10046 1 17 . 1 1 235 235 GLN HA H 235 4.381 4.381 4.258 0.123 25489 10047 1 17 . 1 1 235 235 GLN H H 235 8.291 8.291 8.260 0.031 25489 10048 1 17 . 1 1 236 236 LYS N N 236 123.770 123.770 121.628 2.142 25489 10049 1 17 . 1 1 236 236 LYS H H 236 8.035 8.035 8.031 0.004 25489 10050 1 17 . 1 1 237 237 LEU N N 237 116.854 116.854 119.344 -2.490 25489 10051 1 17 . 1 1 237 237 LEU HA H 237 3.959 3.959 3.974 -0.015 25489 10052 1 17 . 1 1 237 237 LEU H H 237 6.886 6.886 7.392 -0.506 25489 10053 1 17 . 1 1 238 238 TYR N N 238 112.132 112.132 116.352 -4.220 25489 10054 1 17 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.557 0.069 25489 10055 1 17 . 1 1 238 238 TYR H H 238 7.459 7.459 7.525 -0.066 25489 10056 1 17 . 1 1 239 239 GLY N N 239 110.898 110.898 107.203 3.695 25489 10057 1 17 . 1 1 239 239 GLY H H 239 8.442 8.442 7.373 1.069 25489 10058 1 17 . 1 1 240 240 LYS N N 240 114.400 114.400 120.567 -6.167 25489 10059 1 17 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.420 0.384 25489 10060 1 17 . 1 1 240 240 LYS H H 240 7.865 7.865 8.475 -0.610 25489 10061 1 17 . 1 1 241 241 ARG N N 241 123.851 123.851 123.471 0.380 25489 10062 1 17 . 1 1 241 241 ARG H H 241 7.760 7.760 8.583 -0.823 25489 10063 1 17 . 1 1 242 242 SER N N 242 135.647 135.647 116.839 18.808 25489 10064 1 17 . 1 1 242 242 SER H H 242 9.158 9.158 7.763 1.395 25489 10065 1 18 . 1 1 3 3 GLU N N 3 121.690 121.690 123.568 -1.878 25489 10066 1 18 . 1 1 3 3 GLU H H 3 8.332 8.332 7.796 0.536 25489 10067 1 18 . 1 1 4 4 ALA N N 4 124.526 124.526 117.285 7.241 25489 10068 1 18 . 1 1 4 4 ALA H H 4 8.111 8.111 8.514 -0.403 25489 10069 1 18 . 1 1 5 5 GLY N N 5 108.229 108.229 103.639 4.590 25489 10070 1 18 . 1 1 5 5 GLY H H 5 8.286 8.286 7.427 0.859 25489 10071 1 18 . 1 1 6 6 GLY N N 6 108.867 108.867 108.685 0.182 25489 10072 1 18 . 1 1 6 6 GLY H H 6 8.239 8.239 7.512 0.727 25489 10073 1 18 . 1 1 7 7 MET N N 7 119.984 119.984 121.167 -1.183 25489 10074 1 18 . 1 1 7 7 MET H H 7 8.044 8.044 7.416 0.628 25489 10075 1 18 . 1 1 8 8 SER N N 8 118.771 118.771 121.063 -2.292 25489 10076 1 18 . 1 1 8 8 SER HA H 8 4.239 4.239 4.452 -0.213 25489 10077 1 18 . 1 1 8 8 SER H H 8 8.738 8.738 8.415 0.323 25489 10078 1 18 . 1 1 9 9 GLU N N 9 122.551 122.551 124.409 -1.858 25489 10079 1 18 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.305 -0.053 25489 10080 1 18 . 1 1 9 9 GLU H H 9 8.919 8.919 9.107 -0.188 25489 10081 1 18 . 1 1 10 10 LEU N N 10 120.638 120.638 120.424 0.214 25489 10082 1 18 . 1 1 10 10 LEU H H 10 8.017 8.017 8.046 -0.029 25489 10083 1 18 . 1 1 11 11 GLN N N 11 119.889 119.889 119.628 0.261 25489 10084 1 18 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.006 0.128 25489 10085 1 18 . 1 1 11 11 GLN H H 11 7.807 7.807 7.980 -0.173 25489 10086 1 18 . 1 1 12 12 TRP N N 12 120.951 120.951 121.290 -0.339 25489 10087 1 18 . 1 1 12 12 TRP H H 12 8.202 8.202 8.152 0.050 25489 10088 1 18 . 1 1 13 13 GLU N N 13 121.870 121.870 118.406 3.464 25489 10089 1 18 . 1 1 13 13 GLU H H 13 8.436 8.436 7.849 0.587 25489 10090 1 18 . 1 1 14 14 GLN N N 14 120.646 120.646 119.527 1.119 25489 10091 1 18 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.815 0.354 25489 10092 1 18 . 1 1 14 14 GLN H H 14 8.159 8.159 8.001 0.158 25489 10093 1 18 . 1 1 15 15 ALA N N 15 123.216 123.216 121.816 1.400 25489 10094 1 18 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.669 0.669 25489 10095 1 18 . 1 1 15 15 ALA H H 15 8.355 8.355 7.915 0.440 25489 10096 1 18 . 1 1 16 16 GLN N N 16 117.766 117.766 116.505 1.261 25489 10097 1 18 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.810 -0.105 25489 10098 1 18 . 1 1 16 16 GLN H H 16 8.440 8.440 7.795 0.645 25489 10099 1 18 . 1 1 17 17 ASP N N 17 120.090 120.090 120.150 -0.060 25489 10100 1 18 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.328 0.135 25489 10101 1 18 . 1 1 17 17 ASP H H 17 7.899 7.899 7.873 0.026 25489 10102 1 18 . 1 1 18 18 TYR N N 18 122.296 122.296 118.018 4.278 25489 10103 1 18 . 1 1 18 18 TYR H H 18 8.264 8.264 7.594 0.670 25489 10104 1 18 . 1 1 19 19 LEU N N 19 117.675 117.675 119.102 -1.427 25489 10105 1 18 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.213 -0.088 25489 10106 1 18 . 1 1 19 19 LEU H H 19 8.687 8.687 7.577 1.110 25489 10107 1 18 . 1 1 20 20 LYS N N 20 124.620 124.620 119.227 5.393 25489 10108 1 18 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.050 0.093 25489 10109 1 18 . 1 1 20 20 LYS H H 20 8.790 8.790 7.793 0.997 25489 10110 1 18 . 1 1 21 21 ARG N N 21 117.608 117.608 118.597 -0.989 25489 10111 1 18 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.141 -0.444 25489 10112 1 18 . 1 1 21 21 ARG H H 21 7.835 7.835 7.565 0.270 25489 10113 1 18 . 1 1 22 22 PHE N N 22 112.136 112.136 117.489 -5.353 25489 10114 1 18 . 1 1 22 22 PHE H H 22 8.003 8.003 8.073 -0.070 25489 10115 1 18 . 1 1 23 23 TYR N N 23 116.244 116.244 114.227 2.017 25489 10116 1 18 . 1 1 23 23 TYR H H 23 7.678 7.678 8.049 -0.371 25489 10117 1 18 . 1 1 24 24 LEU N N 24 115.582 115.582 115.624 -0.042 25489 10118 1 18 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.713 -0.578 25489 10119 1 18 . 1 1 24 24 LEU H H 24 7.238 7.238 8.185 -0.947 25489 10120 1 18 . 1 1 25 25 TYR N N 25 119.996 119.996 124.864 -4.868 25489 10121 1 18 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.467 -0.062 25489 10122 1 18 . 1 1 25 25 TYR H H 25 7.826 7.826 8.555 -0.729 25489 10123 1 18 . 1 1 26 26 ASP N N 26 129.292 129.292 127.873 1.419 25489 10124 1 18 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.672 -0.211 25489 10125 1 18 . 1 1 26 26 ASP H H 26 8.121 8.121 8.404 -0.283 25489 10126 1 18 . 1 1 28 28 GLU N N 28 122.115 122.115 120.591 1.524 25489 10127 1 18 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.346 -0.065 25489 10128 1 18 . 1 1 28 28 GLU H H 28 8.262 8.262 7.847 0.415 25489 10129 1 18 . 1 1 29 29 THR N N 29 114.171 114.171 114.018 0.153 25489 10130 1 18 . 1 1 29 29 THR HA H 29 4.222 4.222 4.177 0.045 25489 10131 1 18 . 1 1 29 29 THR H H 29 7.496 7.496 8.898 -1.402 25489 10132 1 18 . 1 1 30 30 LYS N N 30 123.019 123.019 122.795 0.224 25489 10133 1 18 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.045 0.173 25489 10134 1 18 . 1 1 30 30 LYS H H 30 8.154 8.154 7.538 0.616 25489 10135 1 18 . 1 1 32 32 ALA N N 32 126.481 126.481 128.117 -1.636 25489 10136 1 18 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.153 0.097 25489 10137 1 18 . 1 1 32 32 ALA H H 32 8.424 8.424 8.850 -0.426 25489 10138 1 18 . 1 1 33 33 ASN N N 33 116.834 116.834 116.585 0.249 25489 10139 1 18 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.516 0.182 25489 10140 1 18 . 1 1 33 33 ASN H H 33 8.312 8.312 8.100 0.212 25489 10141 1 18 . 1 1 34 34 SER N N 34 116.960 116.960 117.334 -0.374 25489 10142 1 18 . 1 1 34 34 SER HA H 34 4.522 4.522 4.228 0.294 25489 10143 1 18 . 1 1 34 34 SER H H 34 8.112 8.112 7.731 0.381 25489 10144 1 18 . 1 1 35 35 LEU N N 35 125.335 125.335 121.334 4.001 25489 10145 1 18 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.058 -0.507 25489 10146 1 18 . 1 1 35 35 LEU H H 35 8.324 8.324 8.457 -0.133 25489 10147 1 18 . 1 1 36 36 GLU N N 36 119.302 119.302 119.767 -0.465 25489 10148 1 18 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.059 -0.116 25489 10149 1 18 . 1 1 36 36 GLU H H 36 8.239 8.239 7.912 0.327 25489 10150 1 18 . 1 1 37 37 ALA N N 37 120.683 120.683 122.304 -1.621 25489 10151 1 18 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.036 0.011 25489 10152 1 18 . 1 1 37 37 ALA H H 37 7.898 7.898 8.504 -0.606 25489 10153 1 18 . 1 1 38 38 LYS N N 38 119.470 119.470 118.980 0.490 25489 10154 1 18 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.107 0.226 25489 10155 1 18 . 1 1 38 38 LYS H H 38 8.217 8.217 7.999 0.218 25489 10156 1 18 . 1 1 39 39 LEU N N 39 122.664 122.664 120.187 2.477 25489 10157 1 18 . 1 1 39 39 LEU HA H 39 3.914 3.914 3.999 -0.085 25489 10158 1 18 . 1 1 39 39 LEU H H 39 8.658 8.658 8.417 0.241 25489 10159 1 18 . 1 1 40 40 LYS N N 40 118.301 118.301 119.737 -1.436 25489 10160 1 18 . 1 1 40 40 LYS HA H 40 4.673 4.673 3.953 0.720 25489 10161 1 18 . 1 1 40 40 LYS H H 40 8.221 8.221 8.031 0.190 25489 10162 1 18 . 1 1 41 41 GLU N N 41 121.462 121.462 119.305 2.157 25489 10163 1 18 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.136 -0.068 25489 10164 1 18 . 1 1 41 41 GLU H H 41 7.736 7.736 7.910 -0.174 25489 10165 1 18 . 1 1 42 42 MET N N 42 123.761 123.761 119.945 3.816 25489 10166 1 18 . 1 1 42 42 MET HA H 42 4.046 4.046 4.547 -0.501 25489 10167 1 18 . 1 1 42 42 MET H H 42 7.672 7.672 7.609 0.063 25489 10168 1 18 . 1 1 43 43 GLN N N 43 120.035 120.035 119.472 0.563 25489 10169 1 18 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.173 -0.377 25489 10170 1 18 . 1 1 43 43 GLN H H 43 8.904 8.904 8.270 0.634 25489 10171 1 18 . 1 1 44 44 LYS N N 44 119.131 119.131 119.819 -0.688 25489 10172 1 18 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.192 -0.140 25489 10173 1 18 . 1 1 44 44 LYS H H 44 8.511 8.511 8.467 0.044 25489 10174 1 18 . 1 1 45 45 PHE N N 45 123.544 123.544 120.529 3.015 25489 10175 1 18 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.340 -0.490 25489 10176 1 18 . 1 1 45 45 PHE H H 45 8.438 8.438 7.671 0.767 25489 10177 1 18 . 1 1 46 46 PHE N N 46 112.789 112.789 117.443 -4.654 25489 10178 1 18 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.389 0.193 25489 10179 1 18 . 1 1 46 46 PHE H H 46 8.273 8.273 8.608 -0.335 25489 10180 1 18 . 1 1 47 47 GLY N N 47 110.408 110.408 105.652 4.756 25489 10181 1 18 . 1 1 47 47 GLY H H 47 7.922 7.922 7.959 -0.037 25489 10182 1 18 . 1 1 48 48 LEU N N 48 121.853 121.853 122.955 -1.102 25489 10183 1 18 . 1 1 48 48 LEU H H 48 8.747 8.747 8.152 0.595 25489 10184 1 18 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.397 -0.196 25489 10185 1 18 . 1 1 50 50 ILE N N 50 127.000 127.000 122.711 4.289 25489 10186 1 18 . 1 1 50 50 ILE H H 50 8.529 8.529 7.905 0.624 25489 10187 1 18 . 1 1 51 51 THR N N 51 116.519 116.519 118.215 -1.696 25489 10188 1 18 . 1 1 51 51 THR H H 51 7.980 7.980 8.475 -0.495 25489 10189 1 18 . 1 1 52 52 GLY N N 52 112.725 112.725 112.573 0.152 25489 10190 1 18 . 1 1 52 52 GLY H H 52 9.483 9.483 9.817 -0.334 25489 10191 1 18 . 1 1 53 53 MET N N 53 116.735 116.735 120.598 -3.863 25489 10192 1 18 . 1 1 53 53 MET HA H 53 4.044 4.044 4.572 -0.528 25489 10193 1 18 . 1 1 53 53 MET H H 53 7.969 7.969 7.660 0.309 25489 10194 1 18 . 1 1 54 54 LEU N N 54 122.602 122.602 126.884 -4.282 25489 10195 1 18 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.588 -0.882 25489 10196 1 18 . 1 1 54 54 LEU H H 54 7.926 7.926 8.685 -0.759 25489 10197 1 18 . 1 1 55 55 ASN N N 55 115.755 115.755 118.541 -2.786 25489 10198 1 18 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.836 -0.096 25489 10199 1 18 . 1 1 55 55 ASN H H 55 6.555 6.555 8.161 -1.606 25489 10200 1 18 . 1 1 56 56 SER N N 56 121.450 121.450 116.361 5.089 25489 10201 1 18 . 1 1 56 56 SER HA H 56 4.662 4.662 4.544 0.118 25489 10202 1 18 . 1 1 56 56 SER H H 56 8.205 8.205 7.884 0.321 25489 10203 1 18 . 1 1 57 57 ARG N N 57 123.219 123.219 120.507 2.712 25489 10204 1 18 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.126 0.080 25489 10205 1 18 . 1 1 57 57 ARG H H 57 7.883 7.883 8.596 -0.713 25489 10206 1 18 . 1 1 58 58 VAL N N 58 118.843 118.843 116.501 2.342 25489 10207 1 18 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.193 0.107 25489 10208 1 18 . 1 1 58 58 VAL H H 58 7.594 7.594 7.825 -0.231 25489 10209 1 18 . 1 1 59 59 ILE N N 59 119.212 119.212 117.795 1.417 25489 10210 1 18 . 1 1 59 59 ILE HA H 59 3.469 3.469 3.955 -0.486 25489 10211 1 18 . 1 1 59 59 ILE H H 59 7.326 7.326 7.924 -0.598 25489 10212 1 18 . 1 1 60 60 GLU N N 60 119.544 119.544 120.679 -1.135 25489 10213 1 18 . 1 1 60 60 GLU H H 60 7.880 7.880 7.437 0.443 25489 10214 1 18 . 1 1 61 61 ILE N N 61 118.812 118.812 116.269 2.543 25489 10215 1 18 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.792 -0.350 25489 10216 1 18 . 1 1 61 61 ILE H H 61 7.217 7.217 7.468 -0.251 25489 10217 1 18 . 1 1 62 62 MET N N 62 120.202 120.202 115.481 4.721 25489 10218 1 18 . 1 1 62 62 MET HA H 62 3.419 3.419 4.128 -0.709 25489 10219 1 18 . 1 1 62 62 MET H H 62 7.820 7.820 7.165 0.655 25489 10220 1 18 . 1 1 63 63 GLN N N 63 116.274 116.274 116.362 -0.088 25489 10221 1 18 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.293 -0.052 25489 10222 1 18 . 1 1 63 63 GLN H H 63 7.442 7.442 7.757 -0.315 25489 10223 1 18 . 1 1 64 64 LYS N N 64 121.450 121.450 120.513 0.937 25489 10224 1 18 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.323 0.176 25489 10225 1 18 . 1 1 64 64 LYS H H 64 7.474 7.474 7.512 -0.038 25489 10226 1 18 . 1 1 66 66 ARG N N 66 113.173 113.173 122.281 -9.108 25489 10227 1 18 . 1 1 66 66 ARG HA H 66 4.439 4.439 5.080 -0.641 25489 10228 1 18 . 1 1 66 66 ARG H H 66 8.151 8.151 7.823 0.328 25489 10229 1 18 . 1 1 67 67 CYS N N 67 121.794 121.794 120.120 1.674 25489 10230 1 18 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.670 -0.250 25489 10231 1 18 . 1 1 67 67 CYS H H 67 7.709 7.709 8.709 -1.000 25489 10232 1 18 . 1 1 68 68 GLY N N 68 116.255 116.255 117.102 -0.847 25489 10233 1 18 . 1 1 68 68 GLY H H 68 9.707 9.707 9.108 0.599 25489 10234 1 18 . 1 1 69 69 VAL N N 69 126.541 126.541 114.587 11.954 25489 10235 1 18 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.693 -0.886 25489 10236 1 18 . 1 1 69 69 VAL H H 69 9.118 9.118 7.189 1.929 25489 10237 1 18 . 1 1 71 71 ASP N N 71 119.114 119.114 121.747 -2.633 25489 10238 1 18 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.254 0.229 25489 10239 1 18 . 1 1 71 71 ASP H H 71 8.067 8.067 8.443 -0.376 25489 10240 1 18 . 1 1 72 72 VAL N N 72 112.988 112.988 116.806 -3.818 25489 10241 1 18 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.110 1.171 25489 10242 1 18 . 1 1 72 72 VAL H H 72 6.438 6.438 7.319 -0.881 25489 10243 1 18 . 1 1 73 73 ALA N N 73 125.902 125.902 128.723 -2.821 25489 10244 1 18 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.351 -0.084 25489 10245 1 18 . 1 1 73 73 ALA H H 73 8.171 8.171 6.377 1.794 25489 10246 1 18 . 1 1 74 74 GLU N N 74 120.835 120.835 122.485 -1.650 25489 10247 1 18 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.366 -0.283 25489 10248 1 18 . 1 1 74 74 GLU H H 74 8.385 8.385 8.271 0.114 25489 10249 1 18 . 1 1 75 75 TYR N N 75 121.820 121.820 121.006 0.814 25489 10250 1 18 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.804 -0.410 25489 10251 1 18 . 1 1 75 75 TYR H H 75 8.102 8.102 7.602 0.500 25489 10252 1 18 . 1 1 76 76 SER N N 76 117.881 117.881 120.611 -2.730 25489 10253 1 18 . 1 1 76 76 SER H H 76 7.718 7.718 8.864 -1.146 25489 10254 1 18 . 1 1 77 77 LEU N N 77 123.835 123.835 120.414 3.421 25489 10255 1 18 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.110 -0.018 25489 10256 1 18 . 1 1 77 77 LEU H H 77 8.033 8.033 8.655 -0.622 25489 10257 1 18 . 1 1 78 78 PHE N N 78 118.893 118.893 124.832 -5.939 25489 10258 1 18 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.250 0.595 25489 10259 1 18 . 1 1 78 78 PHE H H 78 7.822 7.822 7.625 0.197 25489 10260 1 18 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.236 0.095 25489 10261 1 18 . 1 1 80 80 ASN N N 80 118.184 118.184 121.056 -2.872 25489 10262 1 18 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.740 -0.060 25489 10263 1 18 . 1 1 80 80 ASN H H 80 8.106 8.106 8.233 -0.127 25489 10264 1 18 . 1 1 81 81 SER HA H 81 4.636 4.636 4.583 0.053 25489 10265 1 18 . 1 1 83 83 LYS N N 83 114.696 114.696 114.607 0.089 25489 10266 1 18 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.603 -0.380 25489 10267 1 18 . 1 1 83 83 LYS H H 83 7.361 7.361 7.355 0.006 25489 10268 1 18 . 1 1 84 84 TRP N N 84 122.459 122.459 122.754 -0.295 25489 10269 1 18 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.837 -0.834 25489 10270 1 18 . 1 1 84 84 TRP H H 84 8.020 8.020 8.503 -0.483 25489 10271 1 18 . 1 1 85 85 THR N N 85 113.482 113.482 119.269 -5.787 25489 10272 1 18 . 1 1 85 85 THR HA H 85 4.586 4.586 4.370 0.216 25489 10273 1 18 . 1 1 85 85 THR H H 85 8.833 8.833 7.965 0.868 25489 10274 1 18 . 1 1 86 86 SER N N 86 117.316 117.316 116.067 1.249 25489 10275 1 18 . 1 1 86 86 SER HA H 86 4.665 4.665 4.136 0.529 25489 10276 1 18 . 1 1 86 86 SER H H 86 7.724 7.724 7.141 0.583 25489 10277 1 18 . 1 1 87 87 LYS N N 87 120.411 120.411 122.058 -1.647 25489 10278 1 18 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.386 -0.247 25489 10279 1 18 . 1 1 87 87 LYS H H 87 8.312 8.312 8.592 -0.280 25489 10280 1 18 . 1 1 88 88 VAL N N 88 117.674 117.674 112.703 4.971 25489 10281 1 18 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.454 0.197 25489 10282 1 18 . 1 1 88 88 VAL H H 88 7.425 7.425 7.501 -0.076 25489 10283 1 18 . 1 1 89 89 VAL N N 89 131.493 131.493 124.177 7.316 25489 10284 1 18 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.503 -0.362 25489 10285 1 18 . 1 1 89 89 VAL H H 89 8.574 8.574 8.729 -0.155 25489 10286 1 18 . 1 1 90 90 THR N N 90 118.245 118.245 120.933 -2.688 25489 10287 1 18 . 1 1 90 90 THR HA H 90 5.627 5.627 5.292 0.335 25489 10288 1 18 . 1 1 90 90 THR H H 90 9.021 9.021 8.693 0.328 25489 10289 1 18 . 1 1 91 91 TYR N N 91 118.267 118.267 122.609 -4.342 25489 10290 1 18 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.818 -0.144 25489 10291 1 18 . 1 1 91 91 TYR H H 91 8.555 8.555 9.310 -0.755 25489 10292 1 18 . 1 1 92 92 ARG N N 92 120.260 120.260 123.466 -3.206 25489 10293 1 18 . 1 1 92 92 ARG HA H 92 4.646 4.646 5.061 -0.415 25489 10294 1 18 . 1 1 92 92 ARG H H 92 8.513 8.513 8.834 -0.321 25489 10295 1 18 . 1 1 93 93 ILE N N 93 128.361 128.361 127.066 1.295 25489 10296 1 18 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.831 -0.212 25489 10297 1 18 . 1 1 93 93 ILE H H 93 8.878 8.878 9.031 -0.153 25489 10298 1 18 . 1 1 94 94 VAL N N 94 126.374 126.374 122.761 3.613 25489 10299 1 18 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.373 -0.373 25489 10300 1 18 . 1 1 94 94 VAL H H 94 9.492 9.492 8.705 0.787 25489 10301 1 18 . 1 1 95 95 SER N N 95 113.303 113.303 114.358 -1.055 25489 10302 1 18 . 1 1 95 95 SER HA H 95 4.705 4.705 4.761 -0.056 25489 10303 1 18 . 1 1 95 95 SER H H 95 7.431 7.431 7.537 -0.106 25489 10304 1 18 . 1 1 96 96 TYR N N 96 117.054 117.054 121.481 -4.427 25489 10305 1 18 . 1 1 96 96 TYR H H 96 8.255 8.255 8.535 -0.280 25489 10306 1 18 . 1 1 98 98 ARG N N 98 128.445 128.445 126.193 2.252 25489 10307 1 18 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.333 0.005 25489 10308 1 18 . 1 1 98 98 ARG H H 98 8.964 8.964 8.736 0.228 25489 10309 1 18 . 1 1 99 99 ASP N N 99 120.412 120.412 118.194 2.218 25489 10310 1 18 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.662 -0.327 25489 10311 1 18 . 1 1 99 99 ASP H H 99 8.695 8.695 7.762 0.933 25489 10312 1 18 . 1 1 100 100 LEU N N 100 116.851 116.851 118.664 -1.813 25489 10313 1 18 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.649 0.284 25489 10314 1 18 . 1 1 100 100 LEU H H 100 6.902 6.902 7.088 -0.186 25489 10315 1 18 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.061 0.106 25489 10316 1 18 . 1 1 103 103 ILE N N 103 115.469 115.469 114.578 0.891 25489 10317 1 18 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.842 0.331 25489 10318 1 18 . 1 1 103 103 ILE H H 103 8.296 8.296 8.111 0.185 25489 10319 1 18 . 1 1 104 104 THR N N 104 119.413 119.413 117.574 1.839 25489 10320 1 18 . 1 1 104 104 THR HA H 104 4.019 4.019 4.038 -0.019 25489 10321 1 18 . 1 1 104 104 THR H H 104 6.915 6.915 7.808 -0.892 25489 10322 1 18 . 1 1 105 105 VAL N N 105 123.232 123.232 121.301 1.931 25489 10323 1 18 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.557 -0.143 25489 10324 1 18 . 1 1 105 105 VAL H H 105 7.379 7.379 7.233 0.146 25489 10325 1 18 . 1 1 106 106 ASP N N 106 120.160 120.160 120.224 -0.064 25489 10326 1 18 . 1 1 106 106 ASP H H 106 8.615 8.615 8.269 0.346 25489 10327 1 18 . 1 1 107 107 ARG N N 107 121.041 121.041 119.165 1.876 25489 10328 1 18 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.145 -0.055 25489 10329 1 18 . 1 1 107 107 ARG H H 107 8.372 8.372 7.834 0.538 25489 10330 1 18 . 1 1 108 108 LEU N N 108 121.644 121.644 120.496 1.148 25489 10331 1 18 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.078 0.175 25489 10332 1 18 . 1 1 108 108 LEU H H 108 8.768 8.768 7.887 0.881 25489 10333 1 18 . 1 1 109 109 VAL N N 109 120.347 120.347 119.564 0.783 25489 10334 1 18 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.475 -0.104 25489 10335 1 18 . 1 1 109 109 VAL H H 109 8.762 8.762 7.639 1.123 25489 10336 1 18 . 1 1 110 110 SER N N 110 112.949 112.949 115.916 -2.967 25489 10337 1 18 . 1 1 110 110 SER HA H 110 4.270 4.270 3.549 0.721 25489 10338 1 18 . 1 1 110 110 SER H H 110 7.605 7.605 8.182 -0.577 25489 10339 1 18 . 1 1 111 111 LYS N N 111 122.434 122.434 121.259 1.175 25489 10340 1 18 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.951 0.091 25489 10341 1 18 . 1 1 111 111 LYS H H 111 8.146 8.146 7.956 0.190 25489 10342 1 18 . 1 1 112 112 ALA N N 112 124.099 124.099 121.502 2.597 25489 10343 1 18 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.789 0.288 25489 10344 1 18 . 1 1 112 112 ALA H H 112 8.270 8.270 7.964 0.306 25489 10345 1 18 . 1 1 113 113 LEU N N 113 116.251 116.251 117.371 -1.120 25489 10346 1 18 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.750 -0.028 25489 10347 1 18 . 1 1 113 113 LEU H H 113 8.019 8.019 7.472 0.547 25489 10348 1 18 . 1 1 114 114 ASN N N 114 116.659 116.659 117.237 -0.578 25489 10349 1 18 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.498 0.031 25489 10350 1 18 . 1 1 114 114 ASN H H 114 8.197 8.197 7.576 0.621 25489 10351 1 18 . 1 1 115 115 MET N N 115 122.118 122.118 118.705 3.413 25489 10352 1 18 . 1 1 115 115 MET HA H 115 4.013 4.013 4.262 -0.249 25489 10353 1 18 . 1 1 115 115 MET H H 115 7.918 7.918 7.796 0.122 25489 10354 1 18 . 1 1 116 116 TRP N N 116 117.117 117.117 117.386 -0.269 25489 10355 1 18 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.532 -0.022 25489 10356 1 18 . 1 1 116 116 TRP H H 116 6.773 6.773 7.918 -1.145 25489 10357 1 18 . 1 1 117 117 GLY N N 117 104.656 104.656 107.252 -2.596 25489 10358 1 18 . 1 1 117 117 GLY H H 117 9.305 9.305 8.058 1.247 25489 10359 1 18 . 1 1 118 118 LYS N N 118 118.567 118.567 120.312 -1.745 25489 10360 1 18 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.175 0.002 25489 10361 1 18 . 1 1 118 118 LYS H H 118 7.947 7.947 7.627 0.320 25489 10362 1 18 . 1 1 119 119 GLU N N 119 113.899 113.899 116.843 -2.944 25489 10363 1 18 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.329 0.479 25489 10364 1 18 . 1 1 119 119 GLU H H 119 7.773 7.773 8.153 -0.380 25489 10365 1 18 . 1 1 120 120 ILE N N 120 111.215 111.215 120.486 -9.271 25489 10366 1 18 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.536 0.785 25489 10367 1 18 . 1 1 120 120 ILE H H 120 7.528 7.528 7.875 -0.347 25489 10368 1 18 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.576 0.045 25489 10369 1 18 . 1 1 122 122 LEU N N 122 121.481 121.481 121.760 -0.279 25489 10370 1 18 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.261 0.031 25489 10371 1 18 . 1 1 122 122 LEU H H 122 6.815 6.815 8.124 -1.309 25489 10372 1 18 . 1 1 123 123 HIS N N 123 120.769 120.769 121.950 -1.181 25489 10373 1 18 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.495 0.097 25489 10374 1 18 . 1 1 123 123 HIS H H 123 7.709 7.709 8.261 -0.552 25489 10375 1 18 . 1 1 124 124 PHE N N 124 120.530 120.530 118.816 1.714 25489 10376 1 18 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.001 0.811 25489 10377 1 18 . 1 1 124 124 PHE H H 124 8.306 8.306 6.930 1.376 25489 10378 1 18 . 1 1 125 125 ARG N N 125 123.891 123.891 122.883 1.008 25489 10379 1 18 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.711 -0.058 25489 10380 1 18 . 1 1 125 125 ARG H H 125 8.408 8.408 8.858 -0.450 25489 10381 1 18 . 1 1 126 126 LYS N N 126 130.178 130.178 126.541 3.637 25489 10382 1 18 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.584 -0.223 25489 10383 1 18 . 1 1 126 126 LYS H H 126 8.468 8.468 8.565 -0.097 25489 10384 1 18 . 1 1 127 127 VAL N N 127 125.180 125.180 126.795 -1.615 25489 10385 1 18 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.304 0.204 25489 10386 1 18 . 1 1 127 127 VAL H H 127 8.679 8.679 8.482 0.197 25489 10387 1 18 . 1 1 128 128 VAL N N 128 117.584 117.584 122.719 -5.135 25489 10388 1 18 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.298 -0.012 25489 10389 1 18 . 1 1 128 128 VAL H H 128 8.469 8.469 8.406 0.063 25489 10390 1 18 . 1 1 129 129 TRP N N 129 119.805 119.805 119.319 0.486 25489 10391 1 18 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.711 -0.025 25489 10392 1 18 . 1 1 129 129 TRP H H 129 7.447 7.447 7.628 -0.181 25489 10393 1 18 . 1 1 130 130 GLY N N 130 109.844 109.844 113.024 -3.180 25489 10394 1 18 . 1 1 130 130 GLY H H 130 8.072 8.072 7.565 0.507 25489 10395 1 18 . 1 1 131 131 THR N N 131 116.125 116.125 112.876 3.249 25489 10396 1 18 . 1 1 131 131 THR HA H 131 4.123 4.123 4.634 -0.511 25489 10397 1 18 . 1 1 131 131 THR H H 131 8.196 8.196 8.046 0.150 25489 10398 1 18 . 1 1 132 132 ALA N N 132 129.613 129.613 128.944 0.669 25489 10399 1 18 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.475 0.036 25489 10400 1 18 . 1 1 132 132 ALA H H 132 7.919 7.919 8.366 -0.447 25489 10401 1 18 . 1 1 133 133 ASP N N 133 123.004 123.004 121.879 1.125 25489 10402 1 18 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.746 -0.304 25489 10403 1 18 . 1 1 133 133 ASP H H 133 8.248 8.248 8.806 -0.558 25489 10404 1 18 . 1 1 134 134 ILE N N 134 125.478 125.478 123.060 2.418 25489 10405 1 18 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.252 -0.159 25489 10406 1 18 . 1 1 134 134 ILE H H 134 8.804 8.804 8.704 0.100 25489 10407 1 18 . 1 1 135 135 MET N N 135 127.471 127.471 127.218 0.253 25489 10408 1 18 . 1 1 135 135 MET HA H 135 5.194 5.194 4.916 0.278 25489 10409 1 18 . 1 1 135 135 MET H H 135 7.437 7.437 8.125 -0.688 25489 10410 1 18 . 1 1 136 136 ILE N N 136 125.040 125.040 124.970 0.070 25489 10411 1 18 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.790 0.787 25489 10412 1 18 . 1 1 136 136 ILE H H 136 9.085 9.085 8.576 0.509 25489 10413 1 18 . 1 1 137 137 GLY N N 137 112.059 112.059 113.845 -1.786 25489 10414 1 18 . 1 1 137 137 GLY H H 137 8.568 8.568 8.581 -0.013 25489 10415 1 18 . 1 1 138 138 PHE N N 138 119.447 119.447 120.277 -0.830 25489 10416 1 18 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.388 0.066 25489 10417 1 18 . 1 1 138 138 PHE H H 138 7.861 7.861 8.110 -0.249 25489 10418 1 18 . 1 1 139 139 ALA N N 139 123.657 123.657 126.536 -2.879 25489 10419 1 18 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.716 0.019 25489 10420 1 18 . 1 1 139 139 ALA H H 139 8.939 8.939 8.885 0.054 25489 10421 1 18 . 1 1 140 140 ARG N N 140 118.688 118.688 120.172 -1.484 25489 10422 1 18 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.414 0.660 25489 10423 1 18 . 1 1 140 140 ARG H H 140 8.563 8.563 8.462 0.101 25489 10424 1 18 . 1 1 141 141 GLY N N 141 108.964 108.964 106.585 2.379 25489 10425 1 18 . 1 1 141 141 GLY H H 141 9.018 9.018 8.019 0.999 25489 10426 1 18 . 1 1 143 143 HIS N N 143 120.218 120.218 114.058 6.160 25489 10427 1 18 . 1 1 143 143 HIS H H 143 8.998 8.998 7.887 1.111 25489 10428 1 18 . 1 1 145 145 ASP N N 145 117.684 117.684 120.146 -2.462 25489 10429 1 18 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.460 0.239 25489 10430 1 18 . 1 1 145 145 ASP H H 145 7.088 7.088 8.543 -1.455 25489 10431 1 18 . 1 1 146 146 SER HA H 146 4.140 4.140 4.328 -0.188 25489 10432 1 18 . 1 1 146 146 SER H H 146 8.220 8.220 7.444 0.776 25489 10433 1 18 . 1 1 147 147 TYR N N 147 120.867 120.867 125.328 -4.461 25489 10434 1 18 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.230 0.558 25489 10435 1 18 . 1 1 147 147 TYR H H 147 7.459 7.459 8.755 -1.296 25489 10436 1 18 . 1 1 149 149 PHE N N 149 120.630 120.630 120.854 -0.224 25489 10437 1 18 . 1 1 149 149 PHE H H 149 8.018 8.018 8.625 -0.607 25489 10438 1 18 . 1 1 150 150 ASP N N 150 115.626 115.626 116.027 -0.401 25489 10439 1 18 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.296 0.547 25489 10440 1 18 . 1 1 150 150 ASP H H 150 7.543 7.543 7.864 -0.321 25489 10441 1 18 . 1 1 151 151 GLY N N 151 110.700 110.700 107.477 3.223 25489 10442 1 18 . 1 1 151 151 GLY H H 151 9.074 9.074 8.441 0.633 25489 10443 1 18 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.461 -0.435 25489 10444 1 18 . 1 1 153 153 GLY N N 153 118.786 118.786 116.067 2.719 25489 10445 1 18 . 1 1 153 153 GLY H H 153 11.385 11.385 7.914 3.471 25489 10446 1 18 . 1 1 154 154 ASN N N 154 120.613 120.613 123.993 -3.380 25489 10447 1 18 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.300 -0.102 25489 10448 1 18 . 1 1 154 154 ASN H H 154 9.225 9.225 8.535 0.690 25489 10449 1 18 . 1 1 155 155 THR N N 155 118.700 118.700 115.286 3.414 25489 10450 1 18 . 1 1 155 155 THR HA H 155 5.542 5.542 4.037 1.505 25489 10451 1 18 . 1 1 155 155 THR H H 155 9.519 9.519 8.769 0.750 25489 10452 1 18 . 1 1 156 156 LEU N N 156 122.765 122.765 122.695 0.070 25489 10453 1 18 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.877 0.065 25489 10454 1 18 . 1 1 156 156 LEU H H 156 8.500 8.500 8.717 -0.217 25489 10455 1 18 . 1 1 157 157 ALA N N 157 115.545 115.545 117.707 -2.162 25489 10456 1 18 . 1 1 157 157 ALA HA H 157 5.007 5.007 5.248 -0.241 25489 10457 1 18 . 1 1 157 157 ALA H H 157 7.545 7.545 7.494 0.051 25489 10458 1 18 . 1 1 158 158 HIS N N 158 111.868 111.868 115.732 -3.864 25489 10459 1 18 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.063 -0.446 25489 10460 1 18 . 1 1 158 158 HIS H H 158 8.774 8.774 8.291 0.483 25489 10461 1 18 . 1 1 159 159 ALA N N 159 118.565 118.565 121.643 -3.078 25489 10462 1 18 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.343 0.314 25489 10463 1 18 . 1 1 159 159 ALA H H 159 6.114 6.114 8.173 -2.059 25489 10464 1 18 . 1 1 160 160 PHE N N 160 118.042 118.042 120.840 -2.798 25489 10465 1 18 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.565 -0.084 25489 10466 1 18 . 1 1 160 160 PHE H H 160 7.897 7.897 8.328 -0.431 25489 10467 1 18 . 1 1 161 161 ALA N N 161 123.548 123.548 127.412 -3.864 25489 10468 1 18 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.313 0.170 25489 10469 1 18 . 1 1 161 161 ALA H H 161 8.089 8.089 8.610 -0.521 25489 10470 1 18 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.543 -1.672 25489 10471 1 18 . 1 1 163 163 GLY N N 163 107.255 107.255 109.887 -2.632 25489 10472 1 18 . 1 1 163 163 GLY H H 163 5.992 5.992 8.203 -2.211 25489 10473 1 18 . 1 1 165 165 GLY H H 165 9.149 9.149 7.887 1.262 25489 10474 1 18 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.108 0.045 25489 10475 1 18 . 1 1 167 167 GLY N N 167 103.338 103.338 103.788 -0.450 25489 10476 1 18 . 1 1 167 167 GLY H H 167 7.774 7.774 7.529 0.245 25489 10477 1 18 . 1 1 168 168 GLY N N 168 121.031 121.031 110.159 10.872 25489 10478 1 18 . 1 1 168 168 GLY H H 168 7.685 7.685 8.505 -0.820 25489 10479 1 18 . 1 1 169 169 ASP N N 169 123.703 123.703 123.629 0.074 25489 10480 1 18 . 1 1 169 169 ASP H H 169 8.578 8.578 7.941 0.637 25489 10481 1 18 . 1 1 170 170 ALA N N 170 119.569 119.569 124.756 -5.187 25489 10482 1 18 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.817 -0.113 25489 10483 1 18 . 1 1 170 170 ALA H H 170 8.371 8.371 8.198 0.173 25489 10484 1 18 . 1 1 171 171 HIS N N 171 120.286 120.286 120.075 0.211 25489 10485 1 18 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.757 0.973 25489 10486 1 18 . 1 1 171 171 HIS H H 171 8.513 8.513 8.524 -0.011 25489 10487 1 18 . 1 1 172 172 PHE N N 172 120.919 120.919 124.537 -3.618 25489 10488 1 18 . 1 1 172 172 PHE H H 172 8.457 8.457 8.758 -0.301 25489 10489 1 18 . 1 1 173 173 ASP N N 173 123.993 123.993 121.510 2.483 25489 10490 1 18 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.995 -1.099 25489 10491 1 18 . 1 1 173 173 ASP H H 173 7.915 7.915 8.812 -0.897 25489 10492 1 18 . 1 1 174 174 GLU N N 174 132.684 132.684 125.953 6.731 25489 10493 1 18 . 1 1 174 174 GLU H H 174 9.461 9.461 8.415 1.046 25489 10494 1 18 . 1 1 175 175 ASP N N 175 117.313 117.313 118.539 -1.226 25489 10495 1 18 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.594 0.203 25489 10496 1 18 . 1 1 175 175 ASP H H 175 8.756 8.756 8.606 0.150 25489 10497 1 18 . 1 1 176 176 GLU N N 176 116.511 116.511 119.891 -3.380 25489 10498 1 18 . 1 1 176 176 GLU H H 176 7.154 7.154 7.616 -0.462 25489 10499 1 18 . 1 1 177 177 ARG N N 177 121.920 121.920 122.420 -0.500 25489 10500 1 18 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.452 0.173 25489 10501 1 18 . 1 1 177 177 ARG H H 177 7.555 7.555 8.197 -0.642 25489 10502 1 18 . 1 1 178 178 TRP N N 178 129.182 129.182 127.804 1.378 25489 10503 1 18 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.201 -0.088 25489 10504 1 18 . 1 1 178 178 TRP H H 178 8.788 8.788 9.336 -0.548 25489 10505 1 18 . 1 1 179 179 THR N N 179 112.874 112.874 113.370 -0.496 25489 10506 1 18 . 1 1 179 179 THR HA H 179 5.015 5.015 4.731 0.284 25489 10507 1 18 . 1 1 179 179 THR H H 179 8.946 8.946 8.658 0.288 25489 10508 1 18 . 1 1 180 180 ASP N N 180 121.969 121.969 126.668 -4.699 25489 10509 1 18 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.718 -0.296 25489 10510 1 18 . 1 1 180 180 ASP H H 180 8.478 8.478 8.762 -0.284 25489 10511 1 18 . 1 1 181 181 GLY N N 181 110.059 110.059 108.774 1.285 25489 10512 1 18 . 1 1 181 181 GLY H H 181 8.572 8.572 8.519 0.053 25489 10513 1 18 . 1 1 182 182 SER N N 182 115.564 115.564 116.548 -0.984 25489 10514 1 18 . 1 1 182 182 SER HA H 182 4.599 4.599 4.507 0.092 25489 10515 1 18 . 1 1 182 182 SER H H 182 8.173 8.173 7.998 0.175 25489 10516 1 18 . 1 1 183 183 SER N N 183 117.066 117.066 114.081 2.985 25489 10517 1 18 . 1 1 183 183 SER H H 183 7.819 7.819 8.622 -0.803 25489 10518 1 18 . 1 1 184 184 LEU N N 184 121.954 121.954 122.394 -0.440 25489 10519 1 18 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.458 -0.096 25489 10520 1 18 . 1 1 184 184 LEU H H 184 8.104 8.104 7.575 0.529 25489 10521 1 18 . 1 1 185 185 GLY N N 185 108.989 108.989 106.269 2.720 25489 10522 1 18 . 1 1 185 185 GLY H H 185 7.954 7.954 7.324 0.630 25489 10523 1 18 . 1 1 186 186 ILE N N 186 123.084 123.084 120.855 2.229 25489 10524 1 18 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.614 0.165 25489 10525 1 18 . 1 1 186 186 ILE H H 186 8.878 8.878 8.025 0.853 25489 10526 1 18 . 1 1 187 187 ASN N N 187 126.999 126.999 126.818 0.181 25489 10527 1 18 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.941 -0.545 25489 10528 1 18 . 1 1 187 187 ASN H H 187 8.575 8.575 7.981 0.594 25489 10529 1 18 . 1 1 188 188 PHE N N 188 129.819 129.819 127.821 1.998 25489 10530 1 18 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.358 0.233 25489 10531 1 18 . 1 1 188 188 PHE H H 188 9.365 9.365 8.702 0.663 25489 10532 1 18 . 1 1 189 189 LEU N N 189 119.292 119.292 121.147 -1.855 25489 10533 1 18 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.711 0.122 25489 10534 1 18 . 1 1 189 189 LEU H H 189 8.551 8.551 7.867 0.684 25489 10535 1 18 . 1 1 191 191 ALA N N 191 120.347 120.347 119.174 1.173 25489 10536 1 18 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.385 -0.088 25489 10537 1 18 . 1 1 191 191 ALA H H 191 7.973 7.973 7.513 0.460 25489 10538 1 18 . 1 1 192 192 ALA N N 192 121.365 121.365 120.859 0.506 25489 10539 1 18 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.901 0.116 25489 10540 1 18 . 1 1 192 192 ALA H H 192 9.258 9.258 8.070 1.188 25489 10541 1 18 . 1 1 193 193 THR N N 193 117.027 117.027 112.885 4.142 25489 10542 1 18 . 1 1 193 193 THR HA H 193 3.825 3.825 3.907 -0.082 25489 10543 1 18 . 1 1 193 193 THR H H 193 8.209 8.209 7.490 0.719 25489 10544 1 18 . 1 1 194 194 HIS N N 194 120.231 120.231 122.917 -2.686 25489 10545 1 18 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.461 -0.228 25489 10546 1 18 . 1 1 194 194 HIS H H 194 7.805 7.805 8.285 -0.480 25489 10547 1 18 . 1 1 195 195 ALA N N 195 121.346 121.346 121.035 0.311 25489 10548 1 18 . 1 1 195 195 ALA HA H 195 4.180 4.180 3.980 0.200 25489 10549 1 18 . 1 1 195 195 ALA H H 195 8.693 8.693 7.770 0.923 25489 10550 1 18 . 1 1 196 196 LEU N N 196 114.951 114.951 119.803 -4.852 25489 10551 1 18 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.150 0.008 25489 10552 1 18 . 1 1 196 196 LEU H H 196 8.714 8.714 8.354 0.360 25489 10553 1 18 . 1 1 197 197 GLY N N 197 107.954 107.954 105.474 2.480 25489 10554 1 18 . 1 1 197 197 GLY H H 197 7.540 7.540 8.690 -1.150 25489 10555 1 18 . 1 1 198 198 HIS N N 198 121.996 121.996 121.215 0.781 25489 10556 1 18 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.327 0.482 25489 10557 1 18 . 1 1 198 198 HIS H H 198 7.205 7.205 7.496 -0.291 25489 10558 1 18 . 1 1 199 199 SER N N 199 118.570 118.570 113.717 4.853 25489 10559 1 18 . 1 1 199 199 SER HA H 199 4.448 4.448 4.366 0.082 25489 10560 1 18 . 1 1 199 199 SER H H 199 7.886 7.886 7.786 0.100 25489 10561 1 18 . 1 1 200 200 LEU N N 200 114.779 114.779 120.206 -5.427 25489 10562 1 18 . 1 1 200 200 LEU H H 200 7.106 7.106 8.081 -0.975 25489 10563 1 18 . 1 1 201 201 GLY N N 201 108.350 108.350 104.803 3.547 25489 10564 1 18 . 1 1 201 201 GLY H H 201 8.213 8.213 7.466 0.747 25489 10565 1 18 . 1 1 202 202 MET N N 202 119.623 119.623 120.374 -0.751 25489 10566 1 18 . 1 1 202 202 MET HA H 202 4.484 4.484 4.353 0.131 25489 10567 1 18 . 1 1 202 202 MET H H 202 8.189 8.189 8.227 -0.038 25489 10568 1 18 . 1 1 203 203 GLY N N 203 109.770 109.770 108.670 1.100 25489 10569 1 18 . 1 1 203 203 GLY H H 203 8.413 8.413 8.152 0.261 25489 10570 1 18 . 1 1 204 204 HIS N N 204 115.793 115.793 116.291 -0.498 25489 10571 1 18 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.876 0.498 25489 10572 1 18 . 1 1 204 204 HIS H H 204 8.383 8.383 8.232 0.151 25489 10573 1 18 . 1 1 205 205 SER N N 205 115.497 115.497 113.638 1.859 25489 10574 1 18 . 1 1 205 205 SER HA H 205 4.721 4.721 4.611 0.110 25489 10575 1 18 . 1 1 205 205 SER H H 205 7.223 7.223 8.275 -1.052 25489 10576 1 18 . 1 1 206 206 SER N N 206 119.268 119.268 115.317 3.951 25489 10577 1 18 . 1 1 206 206 SER HA H 206 3.721 3.721 4.250 -0.529 25489 10578 1 18 . 1 1 206 206 SER H H 206 8.290 8.290 8.555 -0.265 25489 10579 1 18 . 1 1 207 207 ASP N N 207 126.656 126.656 120.947 5.709 25489 10580 1 18 . 1 1 207 207 ASP H H 207 8.541 8.541 7.529 1.012 25489 10581 1 18 . 1 1 209 209 ASN N N 209 115.911 115.911 114.303 1.608 25489 10582 1 18 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.826 -0.210 25489 10583 1 18 . 1 1 209 209 ASN H H 209 8.374 8.374 8.577 -0.203 25489 10584 1 18 . 1 1 210 210 ALA N N 210 124.929 124.929 123.193 1.736 25489 10585 1 18 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.534 -0.380 25489 10586 1 18 . 1 1 210 210 ALA H H 210 8.182 8.182 7.465 0.717 25489 10587 1 18 . 1 1 211 211 VAL N N 211 130.383 130.383 123.591 6.792 25489 10588 1 18 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.603 0.647 25489 10589 1 18 . 1 1 211 211 VAL H H 211 11.554 11.554 9.432 2.122 25489 10590 1 18 . 1 1 212 212 MET N N 212 113.319 113.319 114.641 -1.322 25489 10591 1 18 . 1 1 212 212 MET H H 212 7.741 7.741 8.602 -0.861 25489 10592 1 18 . 1 1 213 213 TYR N N 213 130.006 130.006 122.523 7.483 25489 10593 1 18 . 1 1 213 213 TYR H H 213 7.899 7.899 7.528 0.371 25489 10594 1 18 . 1 1 215 215 THR N N 215 104.747 104.747 111.734 -6.987 25489 10595 1 18 . 1 1 215 215 THR HA H 215 4.404 4.404 4.511 -0.107 25489 10596 1 18 . 1 1 215 215 THR H H 215 6.402 6.402 7.460 -1.058 25489 10597 1 18 . 1 1 216 216 TYR N N 216 124.699 124.699 121.961 2.738 25489 10598 1 18 . 1 1 216 216 TYR H H 216 8.341 8.341 8.588 -0.247 25489 10599 1 18 . 1 1 217 217 GLY N N 217 116.288 116.288 112.328 3.960 25489 10600 1 18 . 1 1 217 217 GLY H H 217 7.685 7.685 7.283 0.402 25489 10601 1 18 . 1 1 218 218 ASN N N 218 119.920 119.920 117.587 2.333 25489 10602 1 18 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.254 0.366 25489 10603 1 18 . 1 1 218 218 ASN H H 218 8.221 8.221 8.671 -0.450 25489 10604 1 18 . 1 1 219 219 GLY N N 219 109.601 109.601 110.683 -1.082 25489 10605 1 18 . 1 1 219 219 GLY H H 219 8.072 8.072 7.975 0.097 25489 10606 1 18 . 1 1 220 220 ASP N N 220 123.006 123.006 123.873 -0.867 25489 10607 1 18 . 1 1 220 220 ASP H H 220 8.280 8.280 8.166 0.114 25489 10608 1 18 . 1 1 222 222 GLN N N 222 116.642 116.642 124.858 -8.216 25489 10609 1 18 . 1 1 222 222 GLN H H 222 8.215 8.215 8.764 -0.549 25489 10610 1 18 . 1 1 223 223 ASN N N 223 118.361 118.361 115.341 3.020 25489 10611 1 18 . 1 1 223 223 ASN H H 223 7.970 7.970 8.205 -0.235 25489 10612 1 18 . 1 1 225 225 LYS N N 225 122.215 122.215 124.815 -2.600 25489 10613 1 18 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.741 -0.325 25489 10614 1 18 . 1 1 225 225 LYS H H 225 7.656 7.656 8.289 -0.633 25489 10615 1 18 . 1 1 226 226 LEU N N 226 119.165 119.165 122.612 -3.447 25489 10616 1 18 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.371 -0.283 25489 10617 1 18 . 1 1 226 226 LEU H H 226 7.984 7.984 8.519 -0.535 25489 10618 1 18 . 1 1 227 227 SER N N 227 120.520 120.520 117.881 2.639 25489 10619 1 18 . 1 1 227 227 SER HA H 227 4.676 4.676 4.697 -0.021 25489 10620 1 18 . 1 1 227 227 SER H H 227 9.646 9.646 9.076 0.570 25489 10621 1 18 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.042 0.632 25489 10622 1 18 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.512 -0.138 25489 10623 1 18 . 1 1 229 229 ASP H H 229 8.113 8.113 7.604 0.509 25489 10624 1 18 . 1 1 230 230 ASP N N 230 119.878 119.878 121.188 -1.310 25489 10625 1 18 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.406 -0.068 25489 10626 1 18 . 1 1 230 230 ASP H H 230 7.397 7.397 7.593 -0.196 25489 10627 1 18 . 1 1 231 231 ILE N N 231 120.389 120.389 118.135 2.254 25489 10628 1 18 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.868 -0.213 25489 10629 1 18 . 1 1 231 231 ILE H H 231 8.100 8.100 7.506 0.594 25489 10630 1 18 . 1 1 232 232 LYS N N 232 119.084 119.084 119.622 -0.538 25489 10631 1 18 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.470 -0.375 25489 10632 1 18 . 1 1 232 232 LYS H H 232 8.581 8.581 7.578 1.003 25489 10633 1 18 . 1 1 233 233 GLY N N 233 106.424 106.424 107.056 -0.632 25489 10634 1 18 . 1 1 233 233 GLY H H 233 8.061 8.061 7.480 0.581 25489 10635 1 18 . 1 1 234 234 ILE N N 234 125.166 125.166 122.717 2.449 25489 10636 1 18 . 1 1 234 234 ILE H H 234 8.517 8.517 7.254 1.263 25489 10637 1 18 . 1 1 235 235 GLN N N 235 122.969 122.969 117.501 5.468 25489 10638 1 18 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.274 1.107 25489 10639 1 18 . 1 1 235 235 GLN H H 235 8.291 8.291 8.245 0.046 25489 10640 1 18 . 1 1 236 236 LYS N N 236 123.770 123.770 118.726 5.044 25489 10641 1 18 . 1 1 236 236 LYS H H 236 8.035 8.035 7.421 0.614 25489 10642 1 18 . 1 1 237 237 LEU N N 237 116.854 116.854 120.078 -3.224 25489 10643 1 18 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.237 -0.278 25489 10644 1 18 . 1 1 237 237 LEU H H 237 6.886 6.886 7.094 -0.208 25489 10645 1 18 . 1 1 238 238 TYR N N 238 112.132 112.132 113.454 -1.322 25489 10646 1 18 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.730 -0.104 25489 10647 1 18 . 1 1 238 238 TYR H H 238 7.459 7.459 6.928 0.531 25489 10648 1 18 . 1 1 239 239 GLY N N 239 110.898 110.898 108.989 1.909 25489 10649 1 18 . 1 1 239 239 GLY H H 239 8.442 8.442 7.534 0.908 25489 10650 1 18 . 1 1 240 240 LYS N N 240 114.400 114.400 122.793 -8.393 25489 10651 1 18 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.465 0.339 25489 10652 1 18 . 1 1 240 240 LYS H H 240 7.865 7.865 8.446 -0.581 25489 10653 1 18 . 1 1 241 241 ARG N N 241 123.851 123.851 122.688 1.163 25489 10654 1 18 . 1 1 241 241 ARG H H 241 7.760 7.760 8.523 -0.763 25489 10655 1 18 . 1 1 242 242 SER N N 242 135.647 135.647 117.649 17.998 25489 10656 1 18 . 1 1 242 242 SER H H 242 9.158 9.158 8.478 0.680 25489 10657 1 19 . 1 1 3 3 GLU N N 3 121.690 121.690 121.461 0.229 25489 10658 1 19 . 1 1 3 3 GLU H H 3 8.332 8.332 8.771 -0.439 25489 10659 1 19 . 1 1 4 4 ALA N N 4 124.526 124.526 119.234 5.292 25489 10660 1 19 . 1 1 4 4 ALA H H 4 8.111 8.111 8.338 -0.227 25489 10661 1 19 . 1 1 5 5 GLY N N 5 108.229 108.229 107.415 0.814 25489 10662 1 19 . 1 1 5 5 GLY H H 5 8.286 8.286 7.662 0.624 25489 10663 1 19 . 1 1 6 6 GLY N N 6 108.867 108.867 108.377 0.490 25489 10664 1 19 . 1 1 6 6 GLY H H 6 8.239 8.239 7.806 0.433 25489 10665 1 19 . 1 1 7 7 MET N N 7 119.984 119.984 121.497 -1.513 25489 10666 1 19 . 1 1 7 7 MET H H 7 8.044 8.044 7.258 0.786 25489 10667 1 19 . 1 1 8 8 SER N N 8 118.771 118.771 120.238 -1.467 25489 10668 1 19 . 1 1 8 8 SER HA H 8 4.239 4.239 4.567 -0.328 25489 10669 1 19 . 1 1 8 8 SER H H 8 8.738 8.738 8.631 0.107 25489 10670 1 19 . 1 1 9 9 GLU N N 9 122.551 122.551 130.354 -7.803 25489 10671 1 19 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.274 -0.022 25489 10672 1 19 . 1 1 9 9 GLU H H 9 8.919 8.919 9.271 -0.352 25489 10673 1 19 . 1 1 10 10 LEU N N 10 120.638 120.638 120.292 0.346 25489 10674 1 19 . 1 1 10 10 LEU H H 10 8.017 8.017 7.948 0.069 25489 10675 1 19 . 1 1 11 11 GLN N N 11 119.889 119.889 118.602 1.287 25489 10676 1 19 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.975 0.159 25489 10677 1 19 . 1 1 11 11 GLN H H 11 7.807 7.807 7.634 0.173 25489 10678 1 19 . 1 1 12 12 TRP N N 12 120.951 120.951 121.317 -0.366 25489 10679 1 19 . 1 1 12 12 TRP H H 12 8.202 8.202 8.697 -0.495 25489 10680 1 19 . 1 1 13 13 GLU N N 13 121.870 121.870 118.499 3.371 25489 10681 1 19 . 1 1 13 13 GLU H H 13 8.436 8.436 8.004 0.432 25489 10682 1 19 . 1 1 14 14 GLN N N 14 120.646 120.646 118.210 2.436 25489 10683 1 19 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.819 0.350 25489 10684 1 19 . 1 1 14 14 GLN H H 14 8.159 8.159 7.323 0.836 25489 10685 1 19 . 1 1 15 15 ALA N N 15 123.216 123.216 123.502 -0.286 25489 10686 1 19 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.647 0.691 25489 10687 1 19 . 1 1 15 15 ALA H H 15 8.355 8.355 7.872 0.483 25489 10688 1 19 . 1 1 16 16 GLN N N 16 117.766 117.766 116.186 1.580 25489 10689 1 19 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.892 -0.187 25489 10690 1 19 . 1 1 16 16 GLN H H 16 8.440 8.440 7.616 0.824 25489 10691 1 19 . 1 1 17 17 ASP N N 17 120.090 120.090 119.559 0.531 25489 10692 1 19 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.423 0.040 25489 10693 1 19 . 1 1 17 17 ASP H H 17 7.899 7.899 7.497 0.402 25489 10694 1 19 . 1 1 18 18 TYR N N 18 122.296 122.296 119.789 2.507 25489 10695 1 19 . 1 1 18 18 TYR H H 18 8.264 8.264 8.549 -0.285 25489 10696 1 19 . 1 1 19 19 LEU N N 19 117.675 117.675 120.355 -2.680 25489 10697 1 19 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.252 -0.127 25489 10698 1 19 . 1 1 19 19 LEU H H 19 8.687 8.687 8.387 0.300 25489 10699 1 19 . 1 1 20 20 LYS N N 20 124.620 124.620 117.621 6.999 25489 10700 1 19 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.328 -0.185 25489 10701 1 19 . 1 1 20 20 LYS H H 20 8.790 8.790 8.106 0.684 25489 10702 1 19 . 1 1 21 21 ARG N N 21 117.608 117.608 116.424 1.184 25489 10703 1 19 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.254 -0.557 25489 10704 1 19 . 1 1 21 21 ARG H H 21 7.835 7.835 7.481 0.354 25489 10705 1 19 . 1 1 22 22 PHE N N 22 112.136 112.136 118.721 -6.585 25489 10706 1 19 . 1 1 22 22 PHE H H 22 8.003 8.003 7.949 0.054 25489 10707 1 19 . 1 1 23 23 TYR N N 23 116.244 116.244 114.136 2.108 25489 10708 1 19 . 1 1 23 23 TYR H H 23 7.678 7.678 7.468 0.210 25489 10709 1 19 . 1 1 24 24 LEU N N 24 115.582 115.582 115.432 0.150 25489 10710 1 19 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.596 -0.461 25489 10711 1 19 . 1 1 24 24 LEU H H 24 7.238 7.238 8.209 -0.971 25489 10712 1 19 . 1 1 25 25 TYR N N 25 119.996 119.996 123.367 -3.371 25489 10713 1 19 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.611 -0.206 25489 10714 1 19 . 1 1 25 25 TYR H H 25 7.826 7.826 8.486 -0.660 25489 10715 1 19 . 1 1 26 26 ASP N N 26 129.292 129.292 127.363 1.929 25489 10716 1 19 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.687 -0.226 25489 10717 1 19 . 1 1 26 26 ASP H H 26 8.121 8.121 8.191 -0.070 25489 10718 1 19 . 1 1 28 28 GLU N N 28 122.115 122.115 120.283 1.832 25489 10719 1 19 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.213 0.068 25489 10720 1 19 . 1 1 28 28 GLU H H 28 8.262 8.262 8.570 -0.308 25489 10721 1 19 . 1 1 29 29 THR N N 29 114.171 114.171 112.787 1.384 25489 10722 1 19 . 1 1 29 29 THR HA H 29 4.222 4.222 4.237 -0.015 25489 10723 1 19 . 1 1 29 29 THR H H 29 7.496 7.496 7.768 -0.272 25489 10724 1 19 . 1 1 30 30 LYS N N 30 123.019 123.019 122.886 0.133 25489 10725 1 19 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.224 -0.006 25489 10726 1 19 . 1 1 30 30 LYS H H 30 8.154 8.154 7.228 0.926 25489 10727 1 19 . 1 1 32 32 ALA N N 32 126.481 126.481 122.246 4.235 25489 10728 1 19 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.042 0.208 25489 10729 1 19 . 1 1 32 32 ALA H H 32 8.424 8.424 8.758 -0.334 25489 10730 1 19 . 1 1 33 33 ASN N N 33 116.834 116.834 115.890 0.944 25489 10731 1 19 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.645 0.053 25489 10732 1 19 . 1 1 33 33 ASN H H 33 8.312 8.312 8.060 0.252 25489 10733 1 19 . 1 1 34 34 SER N N 34 116.960 116.960 117.314 -0.354 25489 10734 1 19 . 1 1 34 34 SER HA H 34 4.522 4.522 4.169 0.353 25489 10735 1 19 . 1 1 34 34 SER H H 34 8.112 8.112 7.904 0.208 25489 10736 1 19 . 1 1 35 35 LEU N N 35 125.335 125.335 121.774 3.561 25489 10737 1 19 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.081 -0.530 25489 10738 1 19 . 1 1 35 35 LEU H H 35 8.324 8.324 7.864 0.460 25489 10739 1 19 . 1 1 36 36 GLU N N 36 119.302 119.302 118.995 0.307 25489 10740 1 19 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.102 -0.159 25489 10741 1 19 . 1 1 36 36 GLU H H 36 8.239 8.239 8.032 0.207 25489 10742 1 19 . 1 1 37 37 ALA N N 37 120.683 120.683 120.629 0.054 25489 10743 1 19 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.204 -0.157 25489 10744 1 19 . 1 1 37 37 ALA H H 37 7.898 7.898 8.095 -0.197 25489 10745 1 19 . 1 1 38 38 LYS N N 38 119.470 119.470 118.944 0.526 25489 10746 1 19 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.203 0.130 25489 10747 1 19 . 1 1 38 38 LYS H H 38 8.217 8.217 7.547 0.670 25489 10748 1 19 . 1 1 39 39 LEU N N 39 122.664 122.664 120.472 2.192 25489 10749 1 19 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.210 -0.296 25489 10750 1 19 . 1 1 39 39 LEU H H 39 8.658 8.658 8.111 0.547 25489 10751 1 19 . 1 1 40 40 LYS N N 40 118.301 118.301 118.647 -0.346 25489 10752 1 19 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.110 0.563 25489 10753 1 19 . 1 1 40 40 LYS H H 40 8.221 8.221 8.264 -0.043 25489 10754 1 19 . 1 1 41 41 GLU N N 41 121.462 121.462 120.827 0.635 25489 10755 1 19 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.193 -0.125 25489 10756 1 19 . 1 1 41 41 GLU H H 41 7.736 7.736 7.817 -0.081 25489 10757 1 19 . 1 1 42 42 MET N N 42 123.761 123.761 120.447 3.314 25489 10758 1 19 . 1 1 42 42 MET HA H 42 4.046 4.046 4.314 -0.268 25489 10759 1 19 . 1 1 42 42 MET H H 42 7.672 7.672 8.138 -0.466 25489 10760 1 19 . 1 1 43 43 GLN N N 43 120.035 120.035 117.558 2.477 25489 10761 1 19 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.224 -0.428 25489 10762 1 19 . 1 1 43 43 GLN H H 43 8.904 8.904 8.161 0.743 25489 10763 1 19 . 1 1 44 44 LYS N N 44 119.131 119.131 119.006 0.125 25489 10764 1 19 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.452 -0.400 25489 10765 1 19 . 1 1 44 44 LYS H H 44 8.511 8.511 7.706 0.805 25489 10766 1 19 . 1 1 45 45 PHE N N 45 123.544 123.544 121.663 1.881 25489 10767 1 19 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.157 -0.307 25489 10768 1 19 . 1 1 45 45 PHE H H 45 8.438 8.438 7.895 0.543 25489 10769 1 19 . 1 1 46 46 PHE N N 46 112.789 112.789 115.526 -2.737 25489 10770 1 19 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.633 -0.051 25489 10771 1 19 . 1 1 46 46 PHE H H 46 8.273 8.273 7.700 0.573 25489 10772 1 19 . 1 1 47 47 GLY N N 47 110.408 110.408 106.364 4.044 25489 10773 1 19 . 1 1 47 47 GLY H H 47 7.922 7.922 7.531 0.391 25489 10774 1 19 . 1 1 48 48 LEU N N 48 121.853 121.853 122.211 -0.358 25489 10775 1 19 . 1 1 48 48 LEU H H 48 8.747 8.747 7.692 1.055 25489 10776 1 19 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.342 -0.141 25489 10777 1 19 . 1 1 50 50 ILE N N 50 127.000 127.000 120.358 6.642 25489 10778 1 19 . 1 1 50 50 ILE H H 50 8.529 8.529 7.621 0.908 25489 10779 1 19 . 1 1 51 51 THR N N 51 116.519 116.519 115.603 0.916 25489 10780 1 19 . 1 1 51 51 THR H H 51 7.980 7.980 8.178 -0.198 25489 10781 1 19 . 1 1 52 52 GLY N N 52 112.725 112.725 111.165 1.560 25489 10782 1 19 . 1 1 52 52 GLY H H 52 9.483 9.483 9.833 -0.350 25489 10783 1 19 . 1 1 53 53 MET N N 53 116.735 116.735 116.650 0.085 25489 10784 1 19 . 1 1 53 53 MET HA H 53 4.044 4.044 5.022 -0.978 25489 10785 1 19 . 1 1 53 53 MET H H 53 7.969 7.969 8.051 -0.082 25489 10786 1 19 . 1 1 54 54 LEU N N 54 122.602 122.602 121.963 0.639 25489 10787 1 19 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.748 -1.042 25489 10788 1 19 . 1 1 54 54 LEU H H 54 7.926 7.926 8.568 -0.642 25489 10789 1 19 . 1 1 55 55 ASN N N 55 115.755 115.755 117.825 -2.070 25489 10790 1 19 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.860 -0.120 25489 10791 1 19 . 1 1 55 55 ASN H H 55 6.555 6.555 8.680 -2.125 25489 10792 1 19 . 1 1 56 56 SER N N 56 121.450 121.450 114.775 6.675 25489 10793 1 19 . 1 1 56 56 SER HA H 56 4.662 4.662 4.571 0.091 25489 10794 1 19 . 1 1 56 56 SER H H 56 8.205 8.205 8.127 0.078 25489 10795 1 19 . 1 1 57 57 ARG N N 57 123.219 123.219 121.397 1.822 25489 10796 1 19 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.045 0.161 25489 10797 1 19 . 1 1 57 57 ARG H H 57 7.883 7.883 8.660 -0.777 25489 10798 1 19 . 1 1 58 58 VAL N N 58 118.843 118.843 117.448 1.395 25489 10799 1 19 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.228 0.072 25489 10800 1 19 . 1 1 58 58 VAL H H 58 7.594 7.594 8.091 -0.497 25489 10801 1 19 . 1 1 59 59 ILE N N 59 119.212 119.212 118.082 1.130 25489 10802 1 19 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.104 -0.635 25489 10803 1 19 . 1 1 59 59 ILE H H 59 7.326 7.326 7.749 -0.423 25489 10804 1 19 . 1 1 60 60 GLU N N 60 119.544 119.544 121.206 -1.662 25489 10805 1 19 . 1 1 60 60 GLU H H 60 7.880 7.880 7.575 0.305 25489 10806 1 19 . 1 1 61 61 ILE N N 61 118.812 118.812 114.348 4.464 25489 10807 1 19 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.860 -0.418 25489 10808 1 19 . 1 1 61 61 ILE H H 61 7.217 7.217 7.595 -0.378 25489 10809 1 19 . 1 1 62 62 MET N N 62 120.202 120.202 115.155 5.047 25489 10810 1 19 . 1 1 62 62 MET HA H 62 3.419 3.419 4.322 -0.903 25489 10811 1 19 . 1 1 62 62 MET H H 62 7.820 7.820 7.235 0.585 25489 10812 1 19 . 1 1 63 63 GLN N N 63 116.274 116.274 117.710 -1.436 25489 10813 1 19 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.250 -0.009 25489 10814 1 19 . 1 1 63 63 GLN H H 63 7.442 7.442 7.607 -0.165 25489 10815 1 19 . 1 1 64 64 LYS N N 64 121.450 121.450 120.900 0.550 25489 10816 1 19 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.320 0.179 25489 10817 1 19 . 1 1 64 64 LYS H H 64 7.474 7.474 7.663 -0.189 25489 10818 1 19 . 1 1 66 66 ARG N N 66 113.173 113.173 120.586 -7.413 25489 10819 1 19 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.797 -0.358 25489 10820 1 19 . 1 1 66 66 ARG H H 66 8.151 8.151 7.810 0.341 25489 10821 1 19 . 1 1 67 67 CYS N N 67 121.794 121.794 121.037 0.757 25489 10822 1 19 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.488 -0.068 25489 10823 1 19 . 1 1 67 67 CYS H H 67 7.709 7.709 9.038 -1.329 25489 10824 1 19 . 1 1 68 68 GLY N N 68 116.255 116.255 118.050 -1.795 25489 10825 1 19 . 1 1 68 68 GLY H H 68 9.707 9.707 8.839 0.868 25489 10826 1 19 . 1 1 69 69 VAL N N 69 126.541 126.541 116.706 9.835 25489 10827 1 19 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.736 -0.929 25489 10828 1 19 . 1 1 69 69 VAL H H 69 9.118 9.118 7.307 1.811 25489 10829 1 19 . 1 1 71 71 ASP N N 71 119.114 119.114 119.382 -0.268 25489 10830 1 19 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.527 -0.044 25489 10831 1 19 . 1 1 71 71 ASP H H 71 8.067 8.067 8.509 -0.442 25489 10832 1 19 . 1 1 72 72 VAL N N 72 112.988 112.988 116.729 -3.741 25489 10833 1 19 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.453 0.828 25489 10834 1 19 . 1 1 72 72 VAL H H 72 6.438 6.438 7.368 -0.930 25489 10835 1 19 . 1 1 73 73 ALA N N 73 125.902 125.902 128.020 -2.118 25489 10836 1 19 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.472 -0.205 25489 10837 1 19 . 1 1 73 73 ALA H H 73 8.171 8.171 6.941 1.230 25489 10838 1 19 . 1 1 74 74 GLU N N 74 120.835 120.835 122.979 -2.144 25489 10839 1 19 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.267 -0.184 25489 10840 1 19 . 1 1 74 74 GLU H H 74 8.385 8.385 8.225 0.160 25489 10841 1 19 . 1 1 75 75 TYR N N 75 121.820 121.820 122.489 -0.669 25489 10842 1 19 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.810 -0.416 25489 10843 1 19 . 1 1 75 75 TYR H H 75 8.102 8.102 7.495 0.607 25489 10844 1 19 . 1 1 76 76 SER N N 76 117.881 117.881 120.722 -2.841 25489 10845 1 19 . 1 1 76 76 SER H H 76 7.718 7.718 8.815 -1.097 25489 10846 1 19 . 1 1 77 77 LEU N N 77 123.835 123.835 120.530 3.305 25489 10847 1 19 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.073 0.019 25489 10848 1 19 . 1 1 77 77 LEU H H 77 8.033 8.033 8.647 -0.614 25489 10849 1 19 . 1 1 78 78 PHE N N 78 118.893 118.893 123.065 -4.172 25489 10850 1 19 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.564 0.281 25489 10851 1 19 . 1 1 78 78 PHE H H 78 7.822 7.822 7.850 -0.028 25489 10852 1 19 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.239 0.092 25489 10853 1 19 . 1 1 80 80 ASN N N 80 118.184 118.184 121.518 -3.334 25489 10854 1 19 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.839 -0.159 25489 10855 1 19 . 1 1 80 80 ASN H H 80 8.106 8.106 8.355 -0.249 25489 10856 1 19 . 1 1 81 81 SER HA H 81 4.636 4.636 4.882 -0.246 25489 10857 1 19 . 1 1 83 83 LYS N N 83 114.696 114.696 115.321 -0.625 25489 10858 1 19 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.502 -0.279 25489 10859 1 19 . 1 1 83 83 LYS H H 83 7.361 7.361 7.314 0.047 25489 10860 1 19 . 1 1 84 84 TRP N N 84 122.459 122.459 122.595 -0.136 25489 10861 1 19 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.805 -0.802 25489 10862 1 19 . 1 1 84 84 TRP H H 84 8.020 8.020 8.631 -0.611 25489 10863 1 19 . 1 1 85 85 THR N N 85 113.482 113.482 120.134 -6.652 25489 10864 1 19 . 1 1 85 85 THR HA H 85 4.586 4.586 4.343 0.243 25489 10865 1 19 . 1 1 85 85 THR H H 85 8.833 8.833 7.864 0.969 25489 10866 1 19 . 1 1 86 86 SER N N 86 117.316 117.316 116.388 0.928 25489 10867 1 19 . 1 1 86 86 SER HA H 86 4.665 4.665 4.394 0.271 25489 10868 1 19 . 1 1 86 86 SER H H 86 7.724 7.724 6.889 0.835 25489 10869 1 19 . 1 1 87 87 LYS N N 87 120.411 120.411 123.067 -2.656 25489 10870 1 19 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.240 -0.101 25489 10871 1 19 . 1 1 87 87 LYS H H 87 8.312 8.312 8.598 -0.286 25489 10872 1 19 . 1 1 88 88 VAL N N 88 117.674 117.674 111.930 5.744 25489 10873 1 19 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.534 0.117 25489 10874 1 19 . 1 1 88 88 VAL H H 88 7.425 7.425 7.557 -0.132 25489 10875 1 19 . 1 1 89 89 VAL N N 89 131.493 131.493 126.079 5.414 25489 10876 1 19 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.659 -0.518 25489 10877 1 19 . 1 1 89 89 VAL H H 89 8.574 8.574 8.911 -0.337 25489 10878 1 19 . 1 1 90 90 THR N N 90 118.245 118.245 120.179 -1.934 25489 10879 1 19 . 1 1 90 90 THR HA H 90 5.627 5.627 5.197 0.430 25489 10880 1 19 . 1 1 90 90 THR H H 90 9.021 9.021 8.543 0.478 25489 10881 1 19 . 1 1 91 91 TYR N N 91 118.267 118.267 121.916 -3.649 25489 10882 1 19 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.928 -0.254 25489 10883 1 19 . 1 1 91 91 TYR H H 91 8.555 8.555 8.860 -0.305 25489 10884 1 19 . 1 1 92 92 ARG N N 92 120.260 120.260 121.640 -1.380 25489 10885 1 19 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.955 -0.309 25489 10886 1 19 . 1 1 92 92 ARG H H 92 8.513 8.513 8.985 -0.472 25489 10887 1 19 . 1 1 93 93 ILE N N 93 128.361 128.361 127.378 0.983 25489 10888 1 19 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.704 -0.085 25489 10889 1 19 . 1 1 93 93 ILE H H 93 8.878 8.878 9.052 -0.174 25489 10890 1 19 . 1 1 94 94 VAL N N 94 126.374 126.374 123.325 3.049 25489 10891 1 19 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.177 -0.177 25489 10892 1 19 . 1 1 94 94 VAL H H 94 9.492 9.492 8.603 0.889 25489 10893 1 19 . 1 1 95 95 SER N N 95 113.303 113.303 113.810 -0.507 25489 10894 1 19 . 1 1 95 95 SER HA H 95 4.705 4.705 4.739 -0.034 25489 10895 1 19 . 1 1 95 95 SER H H 95 7.431 7.431 7.583 -0.152 25489 10896 1 19 . 1 1 96 96 TYR N N 96 117.054 117.054 120.459 -3.405 25489 10897 1 19 . 1 1 96 96 TYR H H 96 8.255 8.255 8.083 0.172 25489 10898 1 19 . 1 1 98 98 ARG N N 98 128.445 128.445 126.594 1.851 25489 10899 1 19 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.292 0.046 25489 10900 1 19 . 1 1 98 98 ARG H H 98 8.964 8.964 8.856 0.108 25489 10901 1 19 . 1 1 99 99 ASP N N 99 120.412 120.412 119.085 1.327 25489 10902 1 19 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.571 -0.236 25489 10903 1 19 . 1 1 99 99 ASP H H 99 8.695 8.695 7.621 1.074 25489 10904 1 19 . 1 1 100 100 LEU N N 100 116.851 116.851 120.139 -3.288 25489 10905 1 19 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.507 0.426 25489 10906 1 19 . 1 1 100 100 LEU H H 100 6.902 6.902 7.426 -0.524 25489 10907 1 19 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.139 0.028 25489 10908 1 19 . 1 1 103 103 ILE N N 103 115.469 115.469 115.208 0.261 25489 10909 1 19 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.923 0.250 25489 10910 1 19 . 1 1 103 103 ILE H H 103 8.296 8.296 8.261 0.035 25489 10911 1 19 . 1 1 104 104 THR N N 104 119.413 119.413 116.072 3.341 25489 10912 1 19 . 1 1 104 104 THR HA H 104 4.019 4.019 4.028 -0.009 25489 10913 1 19 . 1 1 104 104 THR H H 104 6.915 6.915 7.596 -0.681 25489 10914 1 19 . 1 1 105 105 VAL N N 105 123.232 123.232 118.773 4.459 25489 10915 1 19 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.668 -0.254 25489 10916 1 19 . 1 1 105 105 VAL H H 105 7.379 7.379 7.157 0.222 25489 10917 1 19 . 1 1 106 106 ASP N N 106 120.160 120.160 120.557 -0.397 25489 10918 1 19 . 1 1 106 106 ASP H H 106 8.615 8.615 8.521 0.094 25489 10919 1 19 . 1 1 107 107 ARG N N 107 121.041 121.041 117.884 3.157 25489 10920 1 19 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.135 -0.045 25489 10921 1 19 . 1 1 107 107 ARG H H 107 8.372 8.372 7.357 1.015 25489 10922 1 19 . 1 1 108 108 LEU N N 108 121.644 121.644 120.283 1.361 25489 10923 1 19 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.052 0.201 25489 10924 1 19 . 1 1 108 108 LEU H H 108 8.768 8.768 7.652 1.116 25489 10925 1 19 . 1 1 109 109 VAL N N 109 120.347 120.347 120.399 -0.052 25489 10926 1 19 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.253 0.118 25489 10927 1 19 . 1 1 109 109 VAL H H 109 8.762 8.762 8.044 0.718 25489 10928 1 19 . 1 1 110 110 SER N N 110 112.949 112.949 113.123 -0.174 25489 10929 1 19 . 1 1 110 110 SER HA H 110 4.270 4.270 3.968 0.302 25489 10930 1 19 . 1 1 110 110 SER H H 110 7.605 7.605 7.697 -0.092 25489 10931 1 19 . 1 1 111 111 LYS N N 111 122.434 122.434 122.725 -0.291 25489 10932 1 19 . 1 1 111 111 LYS HA H 111 4.042 4.042 4.134 -0.092 25489 10933 1 19 . 1 1 111 111 LYS H H 111 8.146 8.146 7.468 0.678 25489 10934 1 19 . 1 1 112 112 ALA N N 112 124.099 124.099 122.881 1.218 25489 10935 1 19 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.510 0.567 25489 10936 1 19 . 1 1 112 112 ALA H H 112 8.270 8.270 8.120 0.150 25489 10937 1 19 . 1 1 113 113 LEU N N 113 116.251 116.251 115.263 0.988 25489 10938 1 19 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.865 -0.143 25489 10939 1 19 . 1 1 113 113 LEU H H 113 8.019 8.019 8.145 -0.126 25489 10940 1 19 . 1 1 114 114 ASN N N 114 116.659 116.659 117.991 -1.332 25489 10941 1 19 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.689 -0.160 25489 10942 1 19 . 1 1 114 114 ASN H H 114 8.197 8.197 7.415 0.782 25489 10943 1 19 . 1 1 115 115 MET N N 115 122.118 122.118 119.086 3.032 25489 10944 1 19 . 1 1 115 115 MET HA H 115 4.013 4.013 4.244 -0.231 25489 10945 1 19 . 1 1 115 115 MET H H 115 7.918 7.918 7.816 0.102 25489 10946 1 19 . 1 1 116 116 TRP N N 116 117.117 117.117 117.575 -0.458 25489 10947 1 19 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.619 -0.109 25489 10948 1 19 . 1 1 116 116 TRP H H 116 6.773 6.773 7.843 -1.070 25489 10949 1 19 . 1 1 117 117 GLY N N 117 104.656 104.656 107.306 -2.650 25489 10950 1 19 . 1 1 117 117 GLY H H 117 9.305 9.305 8.270 1.035 25489 10951 1 19 . 1 1 118 118 LYS N N 118 118.567 118.567 119.028 -0.461 25489 10952 1 19 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.389 -0.212 25489 10953 1 19 . 1 1 118 118 LYS H H 118 7.947 7.947 7.867 0.080 25489 10954 1 19 . 1 1 119 119 GLU N N 119 113.899 113.899 117.570 -3.671 25489 10955 1 19 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.428 0.380 25489 10956 1 19 . 1 1 119 119 GLU H H 119 7.773 7.773 7.700 0.073 25489 10957 1 19 . 1 1 120 120 ILE N N 120 111.215 111.215 121.763 -10.548 25489 10958 1 19 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.504 0.817 25489 10959 1 19 . 1 1 120 120 ILE H H 120 7.528 7.528 8.065 -0.537 25489 10960 1 19 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.750 -0.129 25489 10961 1 19 . 1 1 122 122 LEU N N 122 121.481 121.481 119.235 2.246 25489 10962 1 19 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.543 -0.251 25489 10963 1 19 . 1 1 122 122 LEU H H 122 6.815 6.815 7.567 -0.752 25489 10964 1 19 . 1 1 123 123 HIS N N 123 120.769 120.769 120.545 0.224 25489 10965 1 19 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.616 -0.024 25489 10966 1 19 . 1 1 123 123 HIS H H 123 7.709 7.709 8.306 -0.597 25489 10967 1 19 . 1 1 124 124 PHE N N 124 120.530 120.530 120.707 -0.177 25489 10968 1 19 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.503 0.309 25489 10969 1 19 . 1 1 124 124 PHE H H 124 8.306 8.306 7.125 1.181 25489 10970 1 19 . 1 1 125 125 ARG N N 125 123.891 123.891 121.475 2.416 25489 10971 1 19 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.633 0.020 25489 10972 1 19 . 1 1 125 125 ARG H H 125 8.408 8.408 8.452 -0.044 25489 10973 1 19 . 1 1 126 126 LYS N N 126 130.178 130.178 125.889 4.289 25489 10974 1 19 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.569 -0.208 25489 10975 1 19 . 1 1 126 126 LYS H H 126 8.468 8.468 8.540 -0.072 25489 10976 1 19 . 1 1 127 127 VAL N N 127 125.180 125.180 128.710 -3.530 25489 10977 1 19 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.178 0.330 25489 10978 1 19 . 1 1 127 127 VAL H H 127 8.679 8.679 8.422 0.257 25489 10979 1 19 . 1 1 128 128 VAL N N 128 117.584 117.584 122.969 -5.385 25489 10980 1 19 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.223 0.063 25489 10981 1 19 . 1 1 128 128 VAL H H 128 8.469 8.469 8.360 0.109 25489 10982 1 19 . 1 1 129 129 TRP N N 129 119.805 119.805 119.183 0.622 25489 10983 1 19 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.713 -0.027 25489 10984 1 19 . 1 1 129 129 TRP H H 129 7.447 7.447 7.503 -0.056 25489 10985 1 19 . 1 1 130 130 GLY N N 130 109.844 109.844 112.280 -2.436 25489 10986 1 19 . 1 1 130 130 GLY H H 130 8.072 8.072 7.677 0.395 25489 10987 1 19 . 1 1 131 131 THR N N 131 116.125 116.125 113.461 2.664 25489 10988 1 19 . 1 1 131 131 THR HA H 131 4.123 4.123 4.088 0.035 25489 10989 1 19 . 1 1 131 131 THR H H 131 8.196 8.196 8.210 -0.014 25489 10990 1 19 . 1 1 132 132 ALA N N 132 129.613 129.613 130.425 -0.812 25489 10991 1 19 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.463 0.048 25489 10992 1 19 . 1 1 132 132 ALA H H 132 7.919 7.919 8.168 -0.249 25489 10993 1 19 . 1 1 133 133 ASP N N 133 123.004 123.004 121.127 1.877 25489 10994 1 19 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.787 -0.345 25489 10995 1 19 . 1 1 133 133 ASP H H 133 8.248 8.248 8.629 -0.381 25489 10996 1 19 . 1 1 134 134 ILE N N 134 125.478 125.478 123.065 2.413 25489 10997 1 19 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.256 -0.163 25489 10998 1 19 . 1 1 134 134 ILE H H 134 8.804 8.804 8.555 0.249 25489 10999 1 19 . 1 1 135 135 MET N N 135 127.471 127.471 126.072 1.399 25489 11000 1 19 . 1 1 135 135 MET HA H 135 5.194 5.194 5.473 -0.279 25489 11001 1 19 . 1 1 135 135 MET H H 135 7.437 7.437 8.028 -0.591 25489 11002 1 19 . 1 1 136 136 ILE N N 136 125.040 125.040 123.434 1.606 25489 11003 1 19 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.688 0.889 25489 11004 1 19 . 1 1 136 136 ILE H H 136 9.085 9.085 8.526 0.559 25489 11005 1 19 . 1 1 137 137 GLY N N 137 112.059 112.059 112.317 -0.258 25489 11006 1 19 . 1 1 137 137 GLY H H 137 8.568 8.568 8.097 0.471 25489 11007 1 19 . 1 1 138 138 PHE N N 138 119.447 119.447 120.388 -0.941 25489 11008 1 19 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.685 -0.231 25489 11009 1 19 . 1 1 138 138 PHE H H 138 7.861 7.861 8.841 -0.980 25489 11010 1 19 . 1 1 139 139 ALA N N 139 123.657 123.657 126.217 -2.560 25489 11011 1 19 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.654 0.081 25489 11012 1 19 . 1 1 139 139 ALA H H 139 8.939 8.939 8.904 0.035 25489 11013 1 19 . 1 1 140 140 ARG N N 140 118.688 118.688 119.517 -0.829 25489 11014 1 19 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.834 0.240 25489 11015 1 19 . 1 1 140 140 ARG H H 140 8.563 8.563 8.550 0.013 25489 11016 1 19 . 1 1 141 141 GLY N N 141 108.964 108.964 110.438 -1.474 25489 11017 1 19 . 1 1 141 141 GLY H H 141 9.018 9.018 9.082 -0.064 25489 11018 1 19 . 1 1 143 143 HIS N N 143 120.218 120.218 115.235 4.983 25489 11019 1 19 . 1 1 143 143 HIS H H 143 8.998 8.998 7.732 1.266 25489 11020 1 19 . 1 1 145 145 ASP N N 145 117.684 117.684 118.198 -0.514 25489 11021 1 19 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.480 0.220 25489 11022 1 19 . 1 1 145 145 ASP H H 145 7.088 7.088 8.373 -1.285 25489 11023 1 19 . 1 1 146 146 SER HA H 146 4.140 4.140 4.330 -0.190 25489 11024 1 19 . 1 1 146 146 SER H H 146 8.220 8.220 7.548 0.672 25489 11025 1 19 . 1 1 147 147 TYR N N 147 120.867 120.867 124.502 -3.635 25489 11026 1 19 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.261 0.527 25489 11027 1 19 . 1 1 147 147 TYR H H 147 7.459 7.459 8.770 -1.311 25489 11028 1 19 . 1 1 149 149 PHE N N 149 120.630 120.630 119.346 1.284 25489 11029 1 19 . 1 1 149 149 PHE H H 149 8.018 8.018 8.706 -0.688 25489 11030 1 19 . 1 1 150 150 ASP N N 150 115.626 115.626 115.956 -0.330 25489 11031 1 19 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.404 0.439 25489 11032 1 19 . 1 1 150 150 ASP H H 150 7.543 7.543 7.815 -0.272 25489 11033 1 19 . 1 1 151 151 GLY N N 151 110.700 110.700 106.491 4.209 25489 11034 1 19 . 1 1 151 151 GLY H H 151 9.074 9.074 8.444 0.630 25489 11035 1 19 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.538 -0.512 25489 11036 1 19 . 1 1 153 153 GLY N N 153 118.786 118.786 115.514 3.272 25489 11037 1 19 . 1 1 153 153 GLY H H 153 11.385 11.385 8.030 3.355 25489 11038 1 19 . 1 1 154 154 ASN N N 154 120.613 120.613 125.198 -4.585 25489 11039 1 19 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.262 -0.064 25489 11040 1 19 . 1 1 154 154 ASN H H 154 9.225 9.225 8.555 0.670 25489 11041 1 19 . 1 1 155 155 THR N N 155 118.700 118.700 116.178 2.522 25489 11042 1 19 . 1 1 155 155 THR HA H 155 5.542 5.542 4.046 1.496 25489 11043 1 19 . 1 1 155 155 THR H H 155 9.519 9.519 8.868 0.651 25489 11044 1 19 . 1 1 156 156 LEU N N 156 122.765 122.765 123.520 -0.755 25489 11045 1 19 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.764 0.178 25489 11046 1 19 . 1 1 156 156 LEU H H 156 8.500 8.500 9.001 -0.501 25489 11047 1 19 . 1 1 157 157 ALA N N 157 115.545 115.545 118.357 -2.812 25489 11048 1 19 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.685 0.322 25489 11049 1 19 . 1 1 157 157 ALA H H 157 7.545 7.545 7.355 0.190 25489 11050 1 19 . 1 1 158 158 HIS N N 158 111.868 111.868 115.508 -3.640 25489 11051 1 19 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.004 -0.387 25489 11052 1 19 . 1 1 158 158 HIS H H 158 8.774 8.774 8.809 -0.035 25489 11053 1 19 . 1 1 159 159 ALA N N 159 118.565 118.565 122.485 -3.920 25489 11054 1 19 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.800 -0.143 25489 11055 1 19 . 1 1 159 159 ALA H H 159 6.114 6.114 8.116 -2.002 25489 11056 1 19 . 1 1 160 160 PHE N N 160 118.042 118.042 119.061 -1.019 25489 11057 1 19 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.741 -0.260 25489 11058 1 19 . 1 1 160 160 PHE H H 160 7.897 7.897 8.024 -0.127 25489 11059 1 19 . 1 1 161 161 ALA N N 161 123.548 123.548 124.163 -0.615 25489 11060 1 19 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.438 0.045 25489 11061 1 19 . 1 1 161 161 ALA H H 161 8.089 8.089 8.620 -0.531 25489 11062 1 19 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.482 -1.611 25489 11063 1 19 . 1 1 163 163 GLY N N 163 107.255 107.255 111.270 -4.015 25489 11064 1 19 . 1 1 163 163 GLY H H 163 5.992 5.992 7.768 -1.776 25489 11065 1 19 . 1 1 165 165 GLY H H 165 9.149 9.149 8.225 0.924 25489 11066 1 19 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.250 -0.097 25489 11067 1 19 . 1 1 167 167 GLY N N 167 103.338 103.338 104.174 -0.836 25489 11068 1 19 . 1 1 167 167 GLY H H 167 7.774 7.774 7.247 0.527 25489 11069 1 19 . 1 1 168 168 GLY N N 168 121.031 121.031 109.583 11.448 25489 11070 1 19 . 1 1 168 168 GLY H H 168 7.685 7.685 8.058 -0.373 25489 11071 1 19 . 1 1 169 169 ASP N N 169 123.703 123.703 121.946 1.757 25489 11072 1 19 . 1 1 169 169 ASP H H 169 8.578 8.578 7.912 0.666 25489 11073 1 19 . 1 1 170 170 ALA N N 170 119.569 119.569 121.169 -1.600 25489 11074 1 19 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.665 0.039 25489 11075 1 19 . 1 1 170 170 ALA H H 170 8.371 8.371 7.800 0.571 25489 11076 1 19 . 1 1 171 171 HIS N N 171 120.286 120.286 121.706 -1.420 25489 11077 1 19 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.678 1.052 25489 11078 1 19 . 1 1 171 171 HIS H H 171 8.513 8.513 8.572 -0.059 25489 11079 1 19 . 1 1 172 172 PHE N N 172 120.919 120.919 124.189 -3.270 25489 11080 1 19 . 1 1 172 172 PHE H H 172 8.457 8.457 9.152 -0.695 25489 11081 1 19 . 1 1 173 173 ASP N N 173 123.993 123.993 120.266 3.727 25489 11082 1 19 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.144 -1.248 25489 11083 1 19 . 1 1 173 173 ASP H H 173 7.915 7.915 8.527 -0.612 25489 11084 1 19 . 1 1 174 174 GLU N N 174 132.684 132.684 124.476 8.208 25489 11085 1 19 . 1 1 174 174 GLU H H 174 9.461 9.461 9.042 0.419 25489 11086 1 19 . 1 1 175 175 ASP N N 175 117.313 117.313 118.237 -0.924 25489 11087 1 19 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.533 0.264 25489 11088 1 19 . 1 1 175 175 ASP H H 175 8.756 8.756 7.992 0.764 25489 11089 1 19 . 1 1 176 176 GLU N N 176 116.511 116.511 119.252 -2.741 25489 11090 1 19 . 1 1 176 176 GLU H H 176 7.154 7.154 7.813 -0.659 25489 11091 1 19 . 1 1 177 177 ARG N N 177 121.920 121.920 123.706 -1.786 25489 11092 1 19 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.561 0.064 25489 11093 1 19 . 1 1 177 177 ARG H H 177 7.555 7.555 8.182 -0.627 25489 11094 1 19 . 1 1 178 178 TRP N N 178 129.182 129.182 125.984 3.198 25489 11095 1 19 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.441 -0.328 25489 11096 1 19 . 1 1 178 178 TRP H H 178 8.788 8.788 8.753 0.035 25489 11097 1 19 . 1 1 179 179 THR N N 179 112.874 112.874 114.543 -1.669 25489 11098 1 19 . 1 1 179 179 THR HA H 179 5.015 5.015 4.688 0.327 25489 11099 1 19 . 1 1 179 179 THR H H 179 8.946 8.946 8.912 0.034 25489 11100 1 19 . 1 1 180 180 ASP N N 180 121.969 121.969 121.279 0.690 25489 11101 1 19 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.855 -0.433 25489 11102 1 19 . 1 1 180 180 ASP H H 180 8.478 8.478 8.419 0.059 25489 11103 1 19 . 1 1 181 181 GLY N N 181 110.059 110.059 107.810 2.249 25489 11104 1 19 . 1 1 181 181 GLY H H 181 8.572 8.572 8.004 0.568 25489 11105 1 19 . 1 1 182 182 SER N N 182 115.564 115.564 115.889 -0.325 25489 11106 1 19 . 1 1 182 182 SER HA H 182 4.599 4.599 4.514 0.085 25489 11107 1 19 . 1 1 182 182 SER H H 182 8.173 8.173 7.915 0.258 25489 11108 1 19 . 1 1 183 183 SER N N 183 117.066 117.066 112.348 4.718 25489 11109 1 19 . 1 1 183 183 SER H H 183 7.819 7.819 8.015 -0.196 25489 11110 1 19 . 1 1 184 184 LEU N N 184 121.954 121.954 122.328 -0.374 25489 11111 1 19 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.530 -0.168 25489 11112 1 19 . 1 1 184 184 LEU H H 184 8.104 8.104 7.810 0.294 25489 11113 1 19 . 1 1 185 185 GLY N N 185 108.989 108.989 106.322 2.667 25489 11114 1 19 . 1 1 185 185 GLY H H 185 7.954 7.954 7.339 0.615 25489 11115 1 19 . 1 1 186 186 ILE N N 186 123.084 123.084 121.605 1.479 25489 11116 1 19 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.744 0.035 25489 11117 1 19 . 1 1 186 186 ILE H H 186 8.878 8.878 8.383 0.495 25489 11118 1 19 . 1 1 187 187 ASN N N 187 126.999 126.999 125.136 1.863 25489 11119 1 19 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.691 -0.295 25489 11120 1 19 . 1 1 187 187 ASN H H 187 8.575 8.575 7.493 1.082 25489 11121 1 19 . 1 1 188 188 PHE N N 188 129.819 129.819 128.616 1.203 25489 11122 1 19 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.307 0.284 25489 11123 1 19 . 1 1 188 188 PHE H H 188 9.365 9.365 9.189 0.176 25489 11124 1 19 . 1 1 189 189 LEU N N 189 119.292 119.292 120.634 -1.342 25489 11125 1 19 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.456 0.377 25489 11126 1 19 . 1 1 189 189 LEU H H 189 8.551 8.551 8.123 0.428 25489 11127 1 19 . 1 1 191 191 ALA N N 191 120.347 120.347 120.641 -0.294 25489 11128 1 19 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.187 0.110 25489 11129 1 19 . 1 1 191 191 ALA H H 191 7.973 7.973 7.741 0.232 25489 11130 1 19 . 1 1 192 192 ALA N N 192 121.365 121.365 120.805 0.560 25489 11131 1 19 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.858 0.159 25489 11132 1 19 . 1 1 192 192 ALA H H 192 9.258 9.258 8.010 1.248 25489 11133 1 19 . 1 1 193 193 THR N N 193 117.027 117.027 113.523 3.504 25489 11134 1 19 . 1 1 193 193 THR HA H 193 3.825 3.825 3.566 0.259 25489 11135 1 19 . 1 1 193 193 THR H H 193 8.209 8.209 7.844 0.365 25489 11136 1 19 . 1 1 194 194 HIS N N 194 120.231 120.231 122.705 -2.474 25489 11137 1 19 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.323 -0.090 25489 11138 1 19 . 1 1 194 194 HIS H H 194 7.805 7.805 7.801 0.004 25489 11139 1 19 . 1 1 195 195 ALA N N 195 121.346 121.346 119.472 1.874 25489 11140 1 19 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.360 -0.180 25489 11141 1 19 . 1 1 195 195 ALA H H 195 8.693 8.693 7.899 0.794 25489 11142 1 19 . 1 1 196 196 LEU N N 196 114.951 114.951 116.661 -1.710 25489 11143 1 19 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.461 -0.303 25489 11144 1 19 . 1 1 196 196 LEU H H 196 8.714 8.714 7.624 1.090 25489 11145 1 19 . 1 1 197 197 GLY N N 197 107.954 107.954 107.951 0.003 25489 11146 1 19 . 1 1 197 197 GLY H H 197 7.540 7.540 7.749 -0.209 25489 11147 1 19 . 1 1 198 198 HIS N N 198 121.996 121.996 119.813 2.183 25489 11148 1 19 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.689 0.120 25489 11149 1 19 . 1 1 198 198 HIS H H 198 7.205 7.205 7.342 -0.137 25489 11150 1 19 . 1 1 199 199 SER N N 199 118.570 118.570 114.591 3.979 25489 11151 1 19 . 1 1 199 199 SER HA H 199 4.448 4.448 4.341 0.107 25489 11152 1 19 . 1 1 199 199 SER H H 199 7.886 7.886 8.131 -0.245 25489 11153 1 19 . 1 1 200 200 LEU N N 200 114.779 114.779 119.309 -4.530 25489 11154 1 19 . 1 1 200 200 LEU H H 200 7.106 7.106 7.869 -0.763 25489 11155 1 19 . 1 1 201 201 GLY N N 201 108.350 108.350 105.497 2.853 25489 11156 1 19 . 1 1 201 201 GLY H H 201 8.213 8.213 7.305 0.908 25489 11157 1 19 . 1 1 202 202 MET N N 202 119.623 119.623 120.420 -0.797 25489 11158 1 19 . 1 1 202 202 MET HA H 202 4.484 4.484 4.463 0.021 25489 11159 1 19 . 1 1 202 202 MET H H 202 8.189 8.189 8.108 0.081 25489 11160 1 19 . 1 1 203 203 GLY N N 203 109.770 109.770 105.809 3.961 25489 11161 1 19 . 1 1 203 203 GLY H H 203 8.413 8.413 8.028 0.385 25489 11162 1 19 . 1 1 204 204 HIS N N 204 115.793 115.793 116.078 -0.285 25489 11163 1 19 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.949 0.425 25489 11164 1 19 . 1 1 204 204 HIS H H 204 8.383 8.383 8.375 0.008 25489 11165 1 19 . 1 1 205 205 SER N N 205 115.497 115.497 114.270 1.227 25489 11166 1 19 . 1 1 205 205 SER HA H 205 4.721 4.721 4.762 -0.041 25489 11167 1 19 . 1 1 205 205 SER H H 205 7.223 7.223 8.423 -1.200 25489 11168 1 19 . 1 1 206 206 SER N N 206 119.268 119.268 114.542 4.726 25489 11169 1 19 . 1 1 206 206 SER HA H 206 3.721 3.721 4.569 -0.848 25489 11170 1 19 . 1 1 206 206 SER H H 206 8.290 8.290 8.532 -0.242 25489 11171 1 19 . 1 1 207 207 ASP N N 207 126.656 126.656 121.548 5.108 25489 11172 1 19 . 1 1 207 207 ASP H H 207 8.541 8.541 7.889 0.652 25489 11173 1 19 . 1 1 209 209 ASN N N 209 115.911 115.911 115.226 0.685 25489 11174 1 19 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.804 -0.188 25489 11175 1 19 . 1 1 209 209 ASN H H 209 8.374 8.374 8.230 0.144 25489 11176 1 19 . 1 1 210 210 ALA N N 210 124.929 124.929 121.964 2.965 25489 11177 1 19 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.617 -0.463 25489 11178 1 19 . 1 1 210 210 ALA H H 210 8.182 8.182 7.279 0.903 25489 11179 1 19 . 1 1 211 211 VAL N N 211 130.383 130.383 123.028 7.355 25489 11180 1 19 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.522 0.728 25489 11181 1 19 . 1 1 211 211 VAL H H 211 11.554 11.554 9.344 2.210 25489 11182 1 19 . 1 1 212 212 MET N N 212 113.319 113.319 115.576 -2.257 25489 11183 1 19 . 1 1 212 212 MET H H 212 7.741 7.741 8.025 -0.284 25489 11184 1 19 . 1 1 213 213 TYR N N 213 130.006 130.006 123.311 6.695 25489 11185 1 19 . 1 1 213 213 TYR H H 213 7.899 7.899 7.500 0.399 25489 11186 1 19 . 1 1 215 215 THR N N 215 104.747 104.747 108.234 -3.487 25489 11187 1 19 . 1 1 215 215 THR HA H 215 4.404 4.404 4.438 -0.034 25489 11188 1 19 . 1 1 215 215 THR H H 215 6.402 6.402 7.213 -0.811 25489 11189 1 19 . 1 1 216 216 TYR N N 216 124.699 124.699 126.840 -2.141 25489 11190 1 19 . 1 1 216 216 TYR H H 216 8.341 8.341 8.629 -0.288 25489 11191 1 19 . 1 1 217 217 GLY N N 217 116.288 116.288 114.905 1.383 25489 11192 1 19 . 1 1 217 217 GLY H H 217 7.685 7.685 7.695 -0.010 25489 11193 1 19 . 1 1 218 218 ASN N N 218 119.920 119.920 117.464 2.456 25489 11194 1 19 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.482 0.138 25489 11195 1 19 . 1 1 218 218 ASN H H 218 8.221 8.221 8.549 -0.328 25489 11196 1 19 . 1 1 219 219 GLY N N 219 109.601 109.601 108.256 1.345 25489 11197 1 19 . 1 1 219 219 GLY H H 219 8.072 8.072 7.514 0.558 25489 11198 1 19 . 1 1 220 220 ASP N N 220 123.006 123.006 122.326 0.680 25489 11199 1 19 . 1 1 220 220 ASP H H 220 8.280 8.280 8.452 -0.172 25489 11200 1 19 . 1 1 222 222 GLN N N 222 116.642 116.642 122.227 -5.585 25489 11201 1 19 . 1 1 222 222 GLN H H 222 8.215 8.215 8.707 -0.492 25489 11202 1 19 . 1 1 223 223 ASN N N 223 118.361 118.361 114.509 3.852 25489 11203 1 19 . 1 1 223 223 ASN H H 223 7.970 7.970 8.179 -0.209 25489 11204 1 19 . 1 1 225 225 LYS N N 225 122.215 122.215 126.418 -4.203 25489 11205 1 19 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.538 -0.122 25489 11206 1 19 . 1 1 225 225 LYS H H 225 7.656 7.656 7.982 -0.326 25489 11207 1 19 . 1 1 226 226 LEU N N 226 119.165 119.165 121.785 -2.620 25489 11208 1 19 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.499 -0.411 25489 11209 1 19 . 1 1 226 226 LEU H H 226 7.984 7.984 8.583 -0.599 25489 11210 1 19 . 1 1 227 227 SER N N 227 120.520 120.520 117.687 2.833 25489 11211 1 19 . 1 1 227 227 SER HA H 227 4.676 4.676 4.637 0.039 25489 11212 1 19 . 1 1 227 227 SER H H 227 9.646 9.646 8.816 0.830 25489 11213 1 19 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.072 0.602 25489 11214 1 19 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.526 -0.152 25489 11215 1 19 . 1 1 229 229 ASP H H 229 8.113 8.113 8.404 -0.291 25489 11216 1 19 . 1 1 230 230 ASP N N 230 119.878 119.878 119.242 0.636 25489 11217 1 19 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.618 -0.280 25489 11218 1 19 . 1 1 230 230 ASP H H 230 7.397 7.397 8.010 -0.613 25489 11219 1 19 . 1 1 231 231 ILE N N 231 120.389 120.389 119.913 0.476 25489 11220 1 19 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.776 -0.121 25489 11221 1 19 . 1 1 231 231 ILE H H 231 8.100 8.100 7.491 0.609 25489 11222 1 19 . 1 1 232 232 LYS N N 232 119.084 119.084 119.660 -0.576 25489 11223 1 19 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.004 0.091 25489 11224 1 19 . 1 1 232 232 LYS H H 232 8.581 8.581 7.530 1.051 25489 11225 1 19 . 1 1 233 233 GLY N N 233 106.424 106.424 105.629 0.795 25489 11226 1 19 . 1 1 233 233 GLY H H 233 8.061 8.061 7.702 0.359 25489 11227 1 19 . 1 1 234 234 ILE N N 234 125.166 125.166 121.655 3.511 25489 11228 1 19 . 1 1 234 234 ILE H H 234 8.517 8.517 7.401 1.116 25489 11229 1 19 . 1 1 235 235 GLN N N 235 122.969 122.969 119.502 3.467 25489 11230 1 19 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.152 1.229 25489 11231 1 19 . 1 1 235 235 GLN H H 235 8.291 8.291 8.530 -0.239 25489 11232 1 19 . 1 1 236 236 LYS N N 236 123.770 123.770 120.412 3.358 25489 11233 1 19 . 1 1 236 236 LYS H H 236 8.035 8.035 7.701 0.334 25489 11234 1 19 . 1 1 237 237 LEU N N 237 116.854 116.854 119.764 -2.910 25489 11235 1 19 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.124 -0.165 25489 11236 1 19 . 1 1 237 237 LEU H H 237 6.886 6.886 7.266 -0.380 25489 11237 1 19 . 1 1 238 238 TYR N N 238 112.132 112.132 112.669 -0.537 25489 11238 1 19 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.831 -0.205 25489 11239 1 19 . 1 1 238 238 TYR H H 238 7.459 7.459 7.151 0.308 25489 11240 1 19 . 1 1 239 239 GLY N N 239 110.898 110.898 108.892 2.006 25489 11241 1 19 . 1 1 239 239 GLY H H 239 8.442 8.442 7.439 1.003 25489 11242 1 19 . 1 1 240 240 LYS N N 240 114.400 114.400 123.942 -9.542 25489 11243 1 19 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.378 0.426 25489 11244 1 19 . 1 1 240 240 LYS H H 240 7.865 7.865 8.471 -0.606 25489 11245 1 19 . 1 1 241 241 ARG N N 241 123.851 123.851 122.998 0.853 25489 11246 1 19 . 1 1 241 241 ARG H H 241 7.760 7.760 8.428 -0.668 25489 11247 1 19 . 1 1 242 242 SER N N 242 135.647 135.647 118.947 16.700 25489 11248 1 19 . 1 1 242 242 SER H H 242 9.158 9.158 8.570 0.588 25489 11249 1 20 . 1 1 3 3 GLU N N 3 121.690 121.690 121.946 -0.256 25489 11250 1 20 . 1 1 3 3 GLU H H 3 8.332 8.332 9.036 -0.704 25489 11251 1 20 . 1 1 4 4 ALA N N 4 124.526 124.526 121.159 3.367 25489 11252 1 20 . 1 1 4 4 ALA H H 4 8.111 8.111 8.339 -0.228 25489 11253 1 20 . 1 1 5 5 GLY N N 5 108.229 108.229 105.670 2.559 25489 11254 1 20 . 1 1 5 5 GLY H H 5 8.286 8.286 7.810 0.476 25489 11255 1 20 . 1 1 6 6 GLY N N 6 108.867 108.867 108.952 -0.085 25489 11256 1 20 . 1 1 6 6 GLY H H 6 8.239 8.239 7.551 0.688 25489 11257 1 20 . 1 1 7 7 MET N N 7 119.984 119.984 120.387 -0.403 25489 11258 1 20 . 1 1 7 7 MET H H 7 8.044 8.044 7.294 0.750 25489 11259 1 20 . 1 1 8 8 SER N N 8 118.771 118.771 118.586 0.185 25489 11260 1 20 . 1 1 8 8 SER HA H 8 4.239 4.239 4.552 -0.313 25489 11261 1 20 . 1 1 8 8 SER H H 8 8.738 8.738 8.621 0.117 25489 11262 1 20 . 1 1 9 9 GLU N N 9 122.551 122.551 127.517 -4.966 25489 11263 1 20 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.245 0.007 25489 11264 1 20 . 1 1 9 9 GLU H H 9 8.919 8.919 8.972 -0.053 25489 11265 1 20 . 1 1 10 10 LEU N N 10 120.638 120.638 120.852 -0.214 25489 11266 1 20 . 1 1 10 10 LEU H H 10 8.017 8.017 8.028 -0.011 25489 11267 1 20 . 1 1 11 11 GLN N N 11 119.889 119.889 117.086 2.803 25489 11268 1 20 . 1 1 11 11 GLN HA H 11 4.134 4.134 3.979 0.155 25489 11269 1 20 . 1 1 11 11 GLN H H 11 7.807 7.807 7.957 -0.150 25489 11270 1 20 . 1 1 12 12 TRP N N 12 120.951 120.951 120.666 0.285 25489 11271 1 20 . 1 1 12 12 TRP H H 12 8.202 8.202 7.627 0.575 25489 11272 1 20 . 1 1 13 13 GLU N N 13 121.870 121.870 120.812 1.058 25489 11273 1 20 . 1 1 13 13 GLU H H 13 8.436 8.436 7.793 0.643 25489 11274 1 20 . 1 1 14 14 GLN N N 14 120.646 120.646 118.585 2.061 25489 11275 1 20 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.815 0.354 25489 11276 1 20 . 1 1 14 14 GLN H H 14 8.159 8.159 7.819 0.340 25489 11277 1 20 . 1 1 15 15 ALA N N 15 123.216 123.216 122.523 0.693 25489 11278 1 20 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.824 0.514 25489 11279 1 20 . 1 1 15 15 ALA H H 15 8.355 8.355 8.342 0.013 25489 11280 1 20 . 1 1 16 16 GLN N N 16 117.766 117.766 117.186 0.580 25489 11281 1 20 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.763 -0.058 25489 11282 1 20 . 1 1 16 16 GLN H H 16 8.440 8.440 7.551 0.889 25489 11283 1 20 . 1 1 17 17 ASP N N 17 120.090 120.090 118.619 1.471 25489 11284 1 20 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.410 0.053 25489 11285 1 20 . 1 1 17 17 ASP H H 17 7.899 7.899 7.272 0.627 25489 11286 1 20 . 1 1 18 18 TYR N N 18 122.296 122.296 118.486 3.810 25489 11287 1 20 . 1 1 18 18 TYR H H 18 8.264 8.264 8.354 -0.090 25489 11288 1 20 . 1 1 19 19 LEU N N 19 117.675 117.675 120.755 -3.080 25489 11289 1 20 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.247 -0.122 25489 11290 1 20 . 1 1 19 19 LEU H H 19 8.687 8.687 8.011 0.676 25489 11291 1 20 . 1 1 20 20 LYS N N 20 124.620 124.620 118.599 6.021 25489 11292 1 20 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.089 0.054 25489 11293 1 20 . 1 1 20 20 LYS H H 20 8.790 8.790 7.432 1.358 25489 11294 1 20 . 1 1 21 21 ARG N N 21 117.608 117.608 117.554 0.054 25489 11295 1 20 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.149 -0.452 25489 11296 1 20 . 1 1 21 21 ARG H H 21 7.835 7.835 7.655 0.180 25489 11297 1 20 . 1 1 22 22 PHE N N 22 112.136 112.136 118.471 -6.335 25489 11298 1 20 . 1 1 22 22 PHE H H 22 8.003 8.003 7.985 0.018 25489 11299 1 20 . 1 1 23 23 TYR N N 23 116.244 116.244 115.695 0.549 25489 11300 1 20 . 1 1 23 23 TYR H H 23 7.678 7.678 8.514 -0.836 25489 11301 1 20 . 1 1 24 24 LEU N N 24 115.582 115.582 115.253 0.329 25489 11302 1 20 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.517 -0.382 25489 11303 1 20 . 1 1 24 24 LEU H H 24 7.238 7.238 7.648 -0.410 25489 11304 1 20 . 1 1 25 25 TYR N N 25 119.996 119.996 123.240 -3.244 25489 11305 1 20 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.716 -0.311 25489 11306 1 20 . 1 1 25 25 TYR H H 25 7.826 7.826 8.338 -0.512 25489 11307 1 20 . 1 1 26 26 ASP N N 26 129.292 129.292 126.469 2.823 25489 11308 1 20 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.635 -0.174 25489 11309 1 20 . 1 1 26 26 ASP H H 26 8.121 8.121 7.856 0.265 25489 11310 1 20 . 1 1 28 28 GLU N N 28 122.115 122.115 120.516 1.599 25489 11311 1 20 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.188 0.093 25489 11312 1 20 . 1 1 28 28 GLU H H 28 8.262 8.262 8.078 0.184 25489 11313 1 20 . 1 1 29 29 THR N N 29 114.171 114.171 113.140 1.031 25489 11314 1 20 . 1 1 29 29 THR HA H 29 4.222 4.222 4.150 0.072 25489 11315 1 20 . 1 1 29 29 THR H H 29 7.496 7.496 7.831 -0.335 25489 11316 1 20 . 1 1 30 30 LYS N N 30 123.019 123.019 122.379 0.640 25489 11317 1 20 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.239 -0.021 25489 11318 1 20 . 1 1 30 30 LYS H H 30 8.154 8.154 7.154 1.000 25489 11319 1 20 . 1 1 32 32 ALA N N 32 126.481 126.481 123.294 3.187 25489 11320 1 20 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.054 0.196 25489 11321 1 20 . 1 1 32 32 ALA H H 32 8.424 8.424 8.696 -0.272 25489 11322 1 20 . 1 1 33 33 ASN N N 33 116.834 116.834 115.794 1.040 25489 11323 1 20 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.638 0.060 25489 11324 1 20 . 1 1 33 33 ASN H H 33 8.312 8.312 8.252 0.060 25489 11325 1 20 . 1 1 34 34 SER N N 34 116.960 116.960 117.227 -0.267 25489 11326 1 20 . 1 1 34 34 SER HA H 34 4.522 4.522 4.257 0.265 25489 11327 1 20 . 1 1 34 34 SER H H 34 8.112 8.112 7.905 0.207 25489 11328 1 20 . 1 1 35 35 LEU N N 35 125.335 125.335 121.534 3.801 25489 11329 1 20 . 1 1 35 35 LEU HA H 35 3.551 3.551 3.915 -0.364 25489 11330 1 20 . 1 1 35 35 LEU H H 35 8.324 8.324 8.523 -0.199 25489 11331 1 20 . 1 1 36 36 GLU N N 36 119.302 119.302 119.503 -0.201 25489 11332 1 20 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.288 -0.345 25489 11333 1 20 . 1 1 36 36 GLU H H 36 8.239 8.239 7.926 0.313 25489 11334 1 20 . 1 1 37 37 ALA N N 37 120.683 120.683 122.208 -1.525 25489 11335 1 20 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.287 -0.240 25489 11336 1 20 . 1 1 37 37 ALA H H 37 7.898 7.898 7.664 0.234 25489 11337 1 20 . 1 1 38 38 LYS N N 38 119.470 119.470 119.788 -0.318 25489 11338 1 20 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.134 0.199 25489 11339 1 20 . 1 1 38 38 LYS H H 38 8.217 8.217 7.722 0.495 25489 11340 1 20 . 1 1 39 39 LEU N N 39 122.664 122.664 119.794 2.870 25489 11341 1 20 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.119 -0.205 25489 11342 1 20 . 1 1 39 39 LEU H H 39 8.658 8.658 8.776 -0.118 25489 11343 1 20 . 1 1 40 40 LYS N N 40 118.301 118.301 118.477 -0.176 25489 11344 1 20 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.173 0.500 25489 11345 1 20 . 1 1 40 40 LYS H H 40 8.221 8.221 7.833 0.388 25489 11346 1 20 . 1 1 41 41 GLU N N 41 121.462 121.462 119.879 1.583 25489 11347 1 20 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.249 -0.181 25489 11348 1 20 . 1 1 41 41 GLU H H 41 7.736 7.736 7.633 0.103 25489 11349 1 20 . 1 1 42 42 MET N N 42 123.761 123.761 119.647 4.114 25489 11350 1 20 . 1 1 42 42 MET HA H 42 4.046 4.046 4.579 -0.532 25489 11351 1 20 . 1 1 42 42 MET H H 42 7.672 7.672 7.818 -0.146 25489 11352 1 20 . 1 1 43 43 GLN N N 43 120.035 120.035 119.100 0.935 25489 11353 1 20 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.104 -0.308 25489 11354 1 20 . 1 1 43 43 GLN H H 43 8.904 8.904 8.414 0.490 25489 11355 1 20 . 1 1 44 44 LYS N N 44 119.131 119.131 118.329 0.802 25489 11356 1 20 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.317 -0.265 25489 11357 1 20 . 1 1 44 44 LYS H H 44 8.511 8.511 7.807 0.704 25489 11358 1 20 . 1 1 45 45 PHE N N 45 123.544 123.544 122.311 1.233 25489 11359 1 20 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.110 -0.260 25489 11360 1 20 . 1 1 45 45 PHE H H 45 8.438 8.438 7.834 0.604 25489 11361 1 20 . 1 1 46 46 PHE N N 46 112.789 112.789 113.760 -0.971 25489 11362 1 20 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.575 0.007 25489 11363 1 20 . 1 1 46 46 PHE H H 46 8.273 8.273 7.813 0.460 25489 11364 1 20 . 1 1 47 47 GLY N N 47 110.408 110.408 106.950 3.458 25489 11365 1 20 . 1 1 47 47 GLY H H 47 7.922 7.922 7.647 0.275 25489 11366 1 20 . 1 1 48 48 LEU N N 48 121.853 121.853 122.297 -0.444 25489 11367 1 20 . 1 1 48 48 LEU H H 48 8.747 8.747 8.094 0.653 25489 11368 1 20 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.447 -0.246 25489 11369 1 20 . 1 1 50 50 ILE N N 50 127.000 127.000 120.010 6.990 25489 11370 1 20 . 1 1 50 50 ILE H H 50 8.529 8.529 7.810 0.719 25489 11371 1 20 . 1 1 51 51 THR N N 51 116.519 116.519 115.704 0.815 25489 11372 1 20 . 1 1 51 51 THR H H 51 7.980 7.980 7.969 0.011 25489 11373 1 20 . 1 1 52 52 GLY N N 52 112.725 112.725 112.771 -0.046 25489 11374 1 20 . 1 1 52 52 GLY H H 52 9.483 9.483 9.705 -0.222 25489 11375 1 20 . 1 1 53 53 MET N N 53 116.735 116.735 116.140 0.595 25489 11376 1 20 . 1 1 53 53 MET HA H 53 4.044 4.044 4.965 -0.921 25489 11377 1 20 . 1 1 53 53 MET H H 53 7.969 7.969 7.730 0.239 25489 11378 1 20 . 1 1 54 54 LEU N N 54 122.602 122.602 121.868 0.734 25489 11379 1 20 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.737 -1.031 25489 11380 1 20 . 1 1 54 54 LEU H H 54 7.926 7.926 8.579 -0.653 25489 11381 1 20 . 1 1 55 55 ASN N N 55 115.755 115.755 117.296 -1.541 25489 11382 1 20 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.806 -0.066 25489 11383 1 20 . 1 1 55 55 ASN H H 55 6.555 6.555 8.569 -2.014 25489 11384 1 20 . 1 1 56 56 SER N N 56 121.450 121.450 114.735 6.715 25489 11385 1 20 . 1 1 56 56 SER HA H 56 4.662 4.662 4.491 0.171 25489 11386 1 20 . 1 1 56 56 SER H H 56 8.205 8.205 7.957 0.248 25489 11387 1 20 . 1 1 57 57 ARG N N 57 123.219 123.219 123.320 -0.101 25489 11388 1 20 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.084 0.122 25489 11389 1 20 . 1 1 57 57 ARG H H 57 7.883 7.883 8.571 -0.688 25489 11390 1 20 . 1 1 58 58 VAL N N 58 118.843 118.843 117.086 1.757 25489 11391 1 20 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.550 -0.250 25489 11392 1 20 . 1 1 58 58 VAL H H 58 7.594 7.594 8.133 -0.539 25489 11393 1 20 . 1 1 59 59 ILE N N 59 119.212 119.212 117.746 1.466 25489 11394 1 20 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.042 -0.573 25489 11395 1 20 . 1 1 59 59 ILE H H 59 7.326 7.326 7.514 -0.188 25489 11396 1 20 . 1 1 60 60 GLU N N 60 119.544 119.544 121.327 -1.783 25489 11397 1 20 . 1 1 60 60 GLU H H 60 7.880 7.880 7.939 -0.059 25489 11398 1 20 . 1 1 61 61 ILE N N 61 118.812 118.812 115.681 3.131 25489 11399 1 20 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.912 -0.470 25489 11400 1 20 . 1 1 61 61 ILE H H 61 7.217 7.217 7.356 -0.139 25489 11401 1 20 . 1 1 62 62 MET N N 62 120.202 120.202 115.620 4.582 25489 11402 1 20 . 1 1 62 62 MET HA H 62 3.419 3.419 4.077 -0.658 25489 11403 1 20 . 1 1 62 62 MET H H 62 7.820 7.820 7.238 0.582 25489 11404 1 20 . 1 1 63 63 GLN N N 63 116.274 116.274 115.998 0.276 25489 11405 1 20 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.218 0.023 25489 11406 1 20 . 1 1 63 63 GLN H H 63 7.442 7.442 7.299 0.143 25489 11407 1 20 . 1 1 64 64 LYS N N 64 121.450 121.450 120.717 0.733 25489 11408 1 20 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.410 0.089 25489 11409 1 20 . 1 1 64 64 LYS H H 64 7.474 7.474 7.286 0.188 25489 11410 1 20 . 1 1 66 66 ARG N N 66 113.173 113.173 122.239 -9.066 25489 11411 1 20 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.703 -0.264 25489 11412 1 20 . 1 1 66 66 ARG H H 66 8.151 8.151 7.846 0.305 25489 11413 1 20 . 1 1 67 67 CYS N N 67 121.794 121.794 121.242 0.552 25489 11414 1 20 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.677 -0.257 25489 11415 1 20 . 1 1 67 67 CYS H H 67 7.709 7.709 8.911 -1.202 25489 11416 1 20 . 1 1 68 68 GLY N N 68 116.255 116.255 116.474 -0.219 25489 11417 1 20 . 1 1 68 68 GLY H H 68 9.707 9.707 8.599 1.108 25489 11418 1 20 . 1 1 69 69 VAL N N 69 126.541 126.541 116.383 10.158 25489 11419 1 20 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.630 -0.823 25489 11420 1 20 . 1 1 69 69 VAL H H 69 9.118 9.118 7.164 1.954 25489 11421 1 20 . 1 1 71 71 ASP N N 71 119.114 119.114 120.559 -1.445 25489 11422 1 20 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.648 -0.165 25489 11423 1 20 . 1 1 71 71 ASP H H 71 8.067 8.067 8.541 -0.474 25489 11424 1 20 . 1 1 72 72 VAL N N 72 112.988 112.988 117.238 -4.250 25489 11425 1 20 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.784 0.497 25489 11426 1 20 . 1 1 72 72 VAL H H 72 6.438 6.438 7.414 -0.976 25489 11427 1 20 . 1 1 73 73 ALA N N 73 125.902 125.902 129.513 -3.611 25489 11428 1 20 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.067 0.200 25489 11429 1 20 . 1 1 73 73 ALA H H 73 8.171 8.171 6.146 2.025 25489 11430 1 20 . 1 1 74 74 GLU N N 74 120.835 120.835 124.177 -3.342 25489 11431 1 20 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.286 -0.203 25489 11432 1 20 . 1 1 74 74 GLU H H 74 8.385 8.385 8.282 0.103 25489 11433 1 20 . 1 1 75 75 TYR N N 75 121.820 121.820 121.279 0.541 25489 11434 1 20 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.792 -0.398 25489 11435 1 20 . 1 1 75 75 TYR H H 75 8.102 8.102 7.635 0.467 25489 11436 1 20 . 1 1 76 76 SER N N 76 117.881 117.881 119.160 -1.279 25489 11437 1 20 . 1 1 76 76 SER H H 76 7.718 7.718 8.809 -1.091 25489 11438 1 20 . 1 1 77 77 LEU N N 77 123.835 123.835 122.357 1.478 25489 11439 1 20 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.050 0.042 25489 11440 1 20 . 1 1 77 77 LEU H H 77 8.033 8.033 8.737 -0.704 25489 11441 1 20 . 1 1 78 78 PHE N N 78 118.893 118.893 123.066 -4.173 25489 11442 1 20 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.555 0.290 25489 11443 1 20 . 1 1 78 78 PHE H H 78 7.822 7.822 7.453 0.369 25489 11444 1 20 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.232 0.099 25489 11445 1 20 . 1 1 80 80 ASN N N 80 118.184 118.184 119.562 -1.378 25489 11446 1 20 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.815 -0.135 25489 11447 1 20 . 1 1 80 80 ASN H H 80 8.106 8.106 8.364 -0.258 25489 11448 1 20 . 1 1 81 81 SER HA H 81 4.636 4.636 4.765 -0.129 25489 11449 1 20 . 1 1 83 83 LYS N N 83 114.696 114.696 113.472 1.224 25489 11450 1 20 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.676 -0.453 25489 11451 1 20 . 1 1 83 83 LYS H H 83 7.361 7.361 7.276 0.085 25489 11452 1 20 . 1 1 84 84 TRP N N 84 122.459 122.459 122.584 -0.125 25489 11453 1 20 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.800 -0.797 25489 11454 1 20 . 1 1 84 84 TRP H H 84 8.020 8.020 8.538 -0.518 25489 11455 1 20 . 1 1 85 85 THR N N 85 113.482 113.482 121.430 -7.948 25489 11456 1 20 . 1 1 85 85 THR HA H 85 4.586 4.586 4.323 0.263 25489 11457 1 20 . 1 1 85 85 THR H H 85 8.833 8.833 7.770 1.063 25489 11458 1 20 . 1 1 86 86 SER N N 86 117.316 117.316 116.434 0.882 25489 11459 1 20 . 1 1 86 86 SER HA H 86 4.665 4.665 4.381 0.284 25489 11460 1 20 . 1 1 86 86 SER H H 86 7.724 7.724 6.728 0.996 25489 11461 1 20 . 1 1 87 87 LYS N N 87 120.411 120.411 123.716 -3.305 25489 11462 1 20 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.137 0.002 25489 11463 1 20 . 1 1 87 87 LYS H H 87 8.312 8.312 8.742 -0.430 25489 11464 1 20 . 1 1 88 88 VAL N N 88 117.674 117.674 110.623 7.051 25489 11465 1 20 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.463 0.188 25489 11466 1 20 . 1 1 88 88 VAL H H 88 7.425 7.425 7.459 -0.034 25489 11467 1 20 . 1 1 89 89 VAL N N 89 131.493 131.493 124.479 7.014 25489 11468 1 20 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.635 -0.494 25489 11469 1 20 . 1 1 89 89 VAL H H 89 8.574 8.574 8.694 -0.120 25489 11470 1 20 . 1 1 90 90 THR N N 90 118.245 118.245 119.078 -0.833 25489 11471 1 20 . 1 1 90 90 THR HA H 90 5.627 5.627 5.310 0.317 25489 11472 1 20 . 1 1 90 90 THR H H 90 9.021 9.021 8.562 0.459 25489 11473 1 20 . 1 1 91 91 TYR N N 91 118.267 118.267 121.162 -2.895 25489 11474 1 20 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.798 -0.124 25489 11475 1 20 . 1 1 91 91 TYR H H 91 8.555 8.555 9.371 -0.816 25489 11476 1 20 . 1 1 92 92 ARG N N 92 120.260 120.260 122.033 -1.773 25489 11477 1 20 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.886 -0.240 25489 11478 1 20 . 1 1 92 92 ARG H H 92 8.513 8.513 9.104 -0.591 25489 11479 1 20 . 1 1 93 93 ILE N N 93 128.361 128.361 128.156 0.205 25489 11480 1 20 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.678 -0.059 25489 11481 1 20 . 1 1 93 93 ILE H H 93 8.878 8.878 9.129 -0.251 25489 11482 1 20 . 1 1 94 94 VAL N N 94 126.374 126.374 123.656 2.718 25489 11483 1 20 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.228 -0.228 25489 11484 1 20 . 1 1 94 94 VAL H H 94 9.492 9.492 8.105 1.387 25489 11485 1 20 . 1 1 95 95 SER N N 95 113.303 113.303 115.245 -1.942 25489 11486 1 20 . 1 1 95 95 SER HA H 95 4.705 4.705 4.868 -0.163 25489 11487 1 20 . 1 1 95 95 SER H H 95 7.431 7.431 7.646 -0.215 25489 11488 1 20 . 1 1 96 96 TYR N N 96 117.054 117.054 120.511 -3.457 25489 11489 1 20 . 1 1 96 96 TYR H H 96 8.255 8.255 8.469 -0.214 25489 11490 1 20 . 1 1 98 98 ARG N N 98 128.445 128.445 126.286 2.159 25489 11491 1 20 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.375 -0.037 25489 11492 1 20 . 1 1 98 98 ARG H H 98 8.964 8.964 8.855 0.109 25489 11493 1 20 . 1 1 99 99 ASP N N 99 120.412 120.412 118.978 1.434 25489 11494 1 20 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.558 -0.223 25489 11495 1 20 . 1 1 99 99 ASP H H 99 8.695 8.695 7.729 0.966 25489 11496 1 20 . 1 1 100 100 LEU N N 100 116.851 116.851 119.400 -2.549 25489 11497 1 20 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.636 0.296 25489 11498 1 20 . 1 1 100 100 LEU H H 100 6.902 6.902 7.076 -0.174 25489 11499 1 20 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.170 -0.003 25489 11500 1 20 . 1 1 103 103 ILE N N 103 115.469 115.469 116.281 -0.812 25489 11501 1 20 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.952 0.221 25489 11502 1 20 . 1 1 103 103 ILE H H 103 8.296 8.296 8.446 -0.150 25489 11503 1 20 . 1 1 104 104 THR N N 104 119.413 119.413 117.663 1.750 25489 11504 1 20 . 1 1 104 104 THR HA H 104 4.019 4.019 3.992 0.027 25489 11505 1 20 . 1 1 104 104 THR H H 104 6.915 6.915 7.476 -0.561 25489 11506 1 20 . 1 1 105 105 VAL N N 105 123.232 123.232 121.243 1.989 25489 11507 1 20 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.437 -0.023 25489 11508 1 20 . 1 1 105 105 VAL H H 105 7.379 7.379 7.083 0.296 25489 11509 1 20 . 1 1 106 106 ASP N N 106 120.160 120.160 119.808 0.352 25489 11510 1 20 . 1 1 106 106 ASP H H 106 8.615 8.615 8.587 0.028 25489 11511 1 20 . 1 1 107 107 ARG N N 107 121.041 121.041 118.983 2.058 25489 11512 1 20 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.030 0.060 25489 11513 1 20 . 1 1 107 107 ARG H H 107 8.372 8.372 7.819 0.553 25489 11514 1 20 . 1 1 108 108 LEU N N 108 121.644 121.644 120.313 1.331 25489 11515 1 20 . 1 1 108 108 LEU HA H 108 4.253 4.253 3.996 0.257 25489 11516 1 20 . 1 1 108 108 LEU H H 108 8.768 8.768 7.817 0.951 25489 11517 1 20 . 1 1 109 109 VAL N N 109 120.347 120.347 119.987 0.360 25489 11518 1 20 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.465 -0.094 25489 11519 1 20 . 1 1 109 109 VAL H H 109 8.762 8.762 7.948 0.814 25489 11520 1 20 . 1 1 110 110 SER N N 110 112.949 112.949 115.681 -2.732 25489 11521 1 20 . 1 1 110 110 SER HA H 110 4.270 4.270 3.690 0.580 25489 11522 1 20 . 1 1 110 110 SER H H 110 7.605 7.605 7.805 -0.200 25489 11523 1 20 . 1 1 111 111 LYS N N 111 122.434 122.434 121.651 0.783 25489 11524 1 20 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.813 0.229 25489 11525 1 20 . 1 1 111 111 LYS H H 111 8.146 8.146 7.981 0.165 25489 11526 1 20 . 1 1 112 112 ALA N N 112 124.099 124.099 121.364 2.735 25489 11527 1 20 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.604 0.473 25489 11528 1 20 . 1 1 112 112 ALA H H 112 8.270 8.270 8.084 0.186 25489 11529 1 20 . 1 1 113 113 LEU N N 113 116.251 116.251 117.553 -1.302 25489 11530 1 20 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.701 0.021 25489 11531 1 20 . 1 1 113 113 LEU H H 113 8.019 8.019 7.523 0.496 25489 11532 1 20 . 1 1 114 114 ASN N N 114 116.659 116.659 115.980 0.679 25489 11533 1 20 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.482 0.047 25489 11534 1 20 . 1 1 114 114 ASN H H 114 8.197 8.197 7.840 0.357 25489 11535 1 20 . 1 1 115 115 MET N N 115 122.118 122.118 120.268 1.850 25489 11536 1 20 . 1 1 115 115 MET HA H 115 4.013 4.013 4.002 0.011 25489 11537 1 20 . 1 1 115 115 MET H H 115 7.918 7.918 7.533 0.385 25489 11538 1 20 . 1 1 116 116 TRP N N 116 117.117 117.117 117.763 -0.646 25489 11539 1 20 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.418 0.092 25489 11540 1 20 . 1 1 116 116 TRP H H 116 6.773 6.773 7.956 -1.183 25489 11541 1 20 . 1 1 117 117 GLY N N 117 104.656 104.656 105.393 -0.737 25489 11542 1 20 . 1 1 117 117 GLY H H 117 9.305 9.305 8.092 1.213 25489 11543 1 20 . 1 1 118 118 LYS N N 118 118.567 118.567 119.297 -0.730 25489 11544 1 20 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.309 -0.132 25489 11545 1 20 . 1 1 118 118 LYS H H 118 7.947 7.947 7.392 0.555 25489 11546 1 20 . 1 1 119 119 GLU N N 119 113.899 113.899 117.125 -3.226 25489 11547 1 20 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.458 0.350 25489 11548 1 20 . 1 1 119 119 GLU H H 119 7.773 7.773 7.724 0.049 25489 11549 1 20 . 1 1 120 120 ILE N N 120 111.215 111.215 121.379 -10.164 25489 11550 1 20 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.584 0.737 25489 11551 1 20 . 1 1 120 120 ILE H H 120 7.528 7.528 8.302 -0.774 25489 11552 1 20 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.604 0.017 25489 11553 1 20 . 1 1 122 122 LEU N N 122 121.481 121.481 119.078 2.403 25489 11554 1 20 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.614 -0.322 25489 11555 1 20 . 1 1 122 122 LEU H H 122 6.815 6.815 7.802 -0.987 25489 11556 1 20 . 1 1 123 123 HIS N N 123 120.769 120.769 119.445 1.324 25489 11557 1 20 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.791 -0.199 25489 11558 1 20 . 1 1 123 123 HIS H H 123 7.709 7.709 8.338 -0.629 25489 11559 1 20 . 1 1 124 124 PHE N N 124 120.530 120.530 117.527 3.003 25489 11560 1 20 . 1 1 124 124 PHE HA H 124 5.812 5.812 4.947 0.865 25489 11561 1 20 . 1 1 124 124 PHE H H 124 8.306 8.306 6.878 1.428 25489 11562 1 20 . 1 1 125 125 ARG N N 125 123.891 123.891 122.316 1.575 25489 11563 1 20 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.734 -0.081 25489 11564 1 20 . 1 1 125 125 ARG H H 125 8.408 8.408 8.747 -0.339 25489 11565 1 20 . 1 1 126 126 LYS N N 126 130.178 130.178 125.202 4.976 25489 11566 1 20 . 1 1 126 126 LYS HA H 126 3.361 3.361 4.129 -0.768 25489 11567 1 20 . 1 1 126 126 LYS H H 126 8.468 8.468 8.525 -0.057 25489 11568 1 20 . 1 1 127 127 VAL N N 127 125.180 125.180 127.471 -2.291 25489 11569 1 20 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.393 0.115 25489 11570 1 20 . 1 1 127 127 VAL H H 127 8.679 8.679 8.595 0.084 25489 11571 1 20 . 1 1 128 128 VAL N N 128 117.584 117.584 121.348 -3.764 25489 11572 1 20 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.417 -0.131 25489 11573 1 20 . 1 1 128 128 VAL H H 128 8.469 8.469 8.426 0.043 25489 11574 1 20 . 1 1 129 129 TRP N N 129 119.805 119.805 120.482 -0.677 25489 11575 1 20 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.763 -0.077 25489 11576 1 20 . 1 1 129 129 TRP H H 129 7.447 7.447 7.661 -0.214 25489 11577 1 20 . 1 1 130 130 GLY N N 130 109.844 109.844 111.938 -2.094 25489 11578 1 20 . 1 1 130 130 GLY H H 130 8.072 8.072 7.581 0.491 25489 11579 1 20 . 1 1 131 131 THR N N 131 116.125 116.125 112.953 3.172 25489 11580 1 20 . 1 1 131 131 THR HA H 131 4.123 4.123 4.227 -0.104 25489 11581 1 20 . 1 1 131 131 THR H H 131 8.196 8.196 8.170 0.026 25489 11582 1 20 . 1 1 132 132 ALA N N 132 129.613 129.613 130.412 -0.799 25489 11583 1 20 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.496 0.015 25489 11584 1 20 . 1 1 132 132 ALA H H 132 7.919 7.919 8.365 -0.446 25489 11585 1 20 . 1 1 133 133 ASP N N 133 123.004 123.004 122.428 0.576 25489 11586 1 20 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.690 -0.248 25489 11587 1 20 . 1 1 133 133 ASP H H 133 8.248 8.248 8.628 -0.380 25489 11588 1 20 . 1 1 134 134 ILE N N 134 125.478 125.478 122.742 2.736 25489 11589 1 20 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.116 -0.023 25489 11590 1 20 . 1 1 134 134 ILE H H 134 8.804 8.804 8.177 0.627 25489 11591 1 20 . 1 1 135 135 MET N N 135 127.471 127.471 128.266 -0.795 25489 11592 1 20 . 1 1 135 135 MET HA H 135 5.194 5.194 5.365 -0.171 25489 11593 1 20 . 1 1 135 135 MET H H 135 7.437 7.437 8.707 -1.270 25489 11594 1 20 . 1 1 136 136 ILE N N 136 125.040 125.040 124.455 0.585 25489 11595 1 20 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.717 0.860 25489 11596 1 20 . 1 1 136 136 ILE H H 136 9.085 9.085 8.821 0.264 25489 11597 1 20 . 1 1 137 137 GLY N N 137 112.059 112.059 114.170 -2.111 25489 11598 1 20 . 1 1 137 137 GLY H H 137 8.568 8.568 8.204 0.364 25489 11599 1 20 . 1 1 138 138 PHE N N 138 119.447 119.447 120.494 -1.047 25489 11600 1 20 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.283 0.171 25489 11601 1 20 . 1 1 138 138 PHE H H 138 7.861 7.861 8.124 -0.263 25489 11602 1 20 . 1 1 139 139 ALA N N 139 123.657 123.657 125.685 -2.028 25489 11603 1 20 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.606 0.129 25489 11604 1 20 . 1 1 139 139 ALA H H 139 8.939 8.939 9.041 -0.102 25489 11605 1 20 . 1 1 140 140 ARG N N 140 118.688 118.688 118.987 -0.299 25489 11606 1 20 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.484 0.590 25489 11607 1 20 . 1 1 140 140 ARG H H 140 8.563 8.563 8.486 0.077 25489 11608 1 20 . 1 1 141 141 GLY N N 141 108.964 108.964 107.381 1.583 25489 11609 1 20 . 1 1 141 141 GLY H H 141 9.018 9.018 8.472 0.546 25489 11610 1 20 . 1 1 143 143 HIS N N 143 120.218 120.218 113.900 6.318 25489 11611 1 20 . 1 1 143 143 HIS H H 143 8.998 8.998 7.976 1.022 25489 11612 1 20 . 1 1 145 145 ASP N N 145 117.684 117.684 119.462 -1.778 25489 11613 1 20 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.624 0.076 25489 11614 1 20 . 1 1 145 145 ASP H H 145 7.088 7.088 8.324 -1.236 25489 11615 1 20 . 1 1 146 146 SER HA H 146 4.140 4.140 4.365 -0.225 25489 11616 1 20 . 1 1 146 146 SER H H 146 8.220 8.220 7.569 0.651 25489 11617 1 20 . 1 1 147 147 TYR N N 147 120.867 120.867 122.798 -1.931 25489 11618 1 20 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.590 0.198 25489 11619 1 20 . 1 1 147 147 TYR H H 147 7.459 7.459 8.660 -1.201 25489 11620 1 20 . 1 1 149 149 PHE N N 149 120.630 120.630 119.754 0.876 25489 11621 1 20 . 1 1 149 149 PHE H H 149 8.018 8.018 8.753 -0.735 25489 11622 1 20 . 1 1 150 150 ASP N N 150 115.626 115.626 115.433 0.193 25489 11623 1 20 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.374 0.469 25489 11624 1 20 . 1 1 150 150 ASP H H 150 7.543 7.543 8.062 -0.519 25489 11625 1 20 . 1 1 151 151 GLY N N 151 110.700 110.700 107.161 3.539 25489 11626 1 20 . 1 1 151 151 GLY H H 151 9.074 9.074 8.599 0.475 25489 11627 1 20 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.535 -0.509 25489 11628 1 20 . 1 1 153 153 GLY N N 153 118.786 118.786 116.012 2.774 25489 11629 1 20 . 1 1 153 153 GLY H H 153 11.385 11.385 8.174 3.211 25489 11630 1 20 . 1 1 154 154 ASN N N 154 120.613 120.613 124.028 -3.415 25489 11631 1 20 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.448 -0.250 25489 11632 1 20 . 1 1 154 154 ASN H H 154 9.225 9.225 8.301 0.924 25489 11633 1 20 . 1 1 155 155 THR N N 155 118.700 118.700 115.425 3.275 25489 11634 1 20 . 1 1 155 155 THR HA H 155 5.542 5.542 4.056 1.486 25489 11635 1 20 . 1 1 155 155 THR H H 155 9.519 9.519 8.773 0.746 25489 11636 1 20 . 1 1 156 156 LEU N N 156 122.765 122.765 123.848 -1.083 25489 11637 1 20 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.562 0.380 25489 11638 1 20 . 1 1 156 156 LEU H H 156 8.500 8.500 9.045 -0.545 25489 11639 1 20 . 1 1 157 157 ALA N N 157 115.545 115.545 117.128 -1.583 25489 11640 1 20 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.793 0.214 25489 11641 1 20 . 1 1 157 157 ALA H H 157 7.545 7.545 7.373 0.172 25489 11642 1 20 . 1 1 158 158 HIS N N 158 111.868 111.868 114.867 -2.999 25489 11643 1 20 . 1 1 158 158 HIS HA H 158 4.617 4.617 4.945 -0.328 25489 11644 1 20 . 1 1 158 158 HIS H H 158 8.774 8.774 8.721 0.053 25489 11645 1 20 . 1 1 159 159 ALA N N 159 118.565 118.565 121.286 -2.721 25489 11646 1 20 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.625 0.032 25489 11647 1 20 . 1 1 159 159 ALA H H 159 6.114 6.114 8.241 -2.127 25489 11648 1 20 . 1 1 160 160 PHE N N 160 118.042 118.042 119.395 -1.353 25489 11649 1 20 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.701 -0.220 25489 11650 1 20 . 1 1 160 160 PHE H H 160 7.897 7.897 8.858 -0.961 25489 11651 1 20 . 1 1 161 161 ALA N N 161 123.548 123.548 125.078 -1.530 25489 11652 1 20 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.314 0.169 25489 11653 1 20 . 1 1 161 161 ALA H H 161 8.089 8.089 8.454 -0.365 25489 11654 1 20 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.395 -1.524 25489 11655 1 20 . 1 1 163 163 GLY N N 163 107.255 107.255 111.153 -3.898 25489 11656 1 20 . 1 1 163 163 GLY H H 163 5.992 5.992 7.441 -1.449 25489 11657 1 20 . 1 1 165 165 GLY H H 165 9.149 9.149 8.399 0.750 25489 11658 1 20 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.066 0.087 25489 11659 1 20 . 1 1 167 167 GLY N N 167 103.338 103.338 103.891 -0.553 25489 11660 1 20 . 1 1 167 167 GLY H H 167 7.774 7.774 7.241 0.533 25489 11661 1 20 . 1 1 168 168 GLY N N 168 121.031 121.031 107.281 13.750 25489 11662 1 20 . 1 1 168 168 GLY H H 168 7.685 7.685 7.909 -0.224 25489 11663 1 20 . 1 1 169 169 ASP N N 169 123.703 123.703 121.960 1.743 25489 11664 1 20 . 1 1 169 169 ASP H H 169 8.578 8.578 7.754 0.824 25489 11665 1 20 . 1 1 170 170 ALA N N 170 119.569 119.569 123.343 -3.774 25489 11666 1 20 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.752 -0.048 25489 11667 1 20 . 1 1 170 170 ALA H H 170 8.371 8.371 7.934 0.437 25489 11668 1 20 . 1 1 171 171 HIS N N 171 120.286 120.286 120.683 -0.397 25489 11669 1 20 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.542 1.188 25489 11670 1 20 . 1 1 171 171 HIS H H 171 8.513 8.513 8.390 0.123 25489 11671 1 20 . 1 1 172 172 PHE N N 172 120.919 120.919 124.754 -3.835 25489 11672 1 20 . 1 1 172 172 PHE H H 172 8.457 8.457 8.798 -0.341 25489 11673 1 20 . 1 1 173 173 ASP N N 173 123.993 123.993 121.645 2.348 25489 11674 1 20 . 1 1 173 173 ASP HA H 173 3.896 3.896 4.998 -1.102 25489 11675 1 20 . 1 1 173 173 ASP H H 173 7.915 7.915 8.565 -0.650 25489 11676 1 20 . 1 1 174 174 GLU N N 174 132.684 132.684 125.704 6.980 25489 11677 1 20 . 1 1 174 174 GLU H H 174 9.461 9.461 8.328 1.133 25489 11678 1 20 . 1 1 175 175 ASP N N 175 117.313 117.313 119.957 -2.644 25489 11679 1 20 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.520 0.277 25489 11680 1 20 . 1 1 175 175 ASP H H 175 8.756 8.756 8.014 0.742 25489 11681 1 20 . 1 1 176 176 GLU N N 176 116.511 116.511 119.122 -2.611 25489 11682 1 20 . 1 1 176 176 GLU H H 176 7.154 7.154 8.182 -1.028 25489 11683 1 20 . 1 1 177 177 ARG N N 177 121.920 121.920 120.933 0.987 25489 11684 1 20 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.671 -0.046 25489 11685 1 20 . 1 1 177 177 ARG H H 177 7.555 7.555 8.378 -0.823 25489 11686 1 20 . 1 1 178 178 TRP N N 178 129.182 129.182 126.168 3.014 25489 11687 1 20 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.633 -0.520 25489 11688 1 20 . 1 1 178 178 TRP H H 178 8.788 8.788 8.702 0.086 25489 11689 1 20 . 1 1 179 179 THR N N 179 112.874 112.874 112.787 0.087 25489 11690 1 20 . 1 1 179 179 THR HA H 179 5.015 5.015 4.705 0.310 25489 11691 1 20 . 1 1 179 179 THR H H 179 8.946 8.946 8.390 0.556 25489 11692 1 20 . 1 1 180 180 ASP N N 180 121.969 121.969 122.980 -1.011 25489 11693 1 20 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.856 -0.434 25489 11694 1 20 . 1 1 180 180 ASP H H 180 8.478 8.478 8.501 -0.023 25489 11695 1 20 . 1 1 181 181 GLY N N 181 110.059 110.059 107.920 2.139 25489 11696 1 20 . 1 1 181 181 GLY H H 181 8.572 8.572 8.019 0.553 25489 11697 1 20 . 1 1 182 182 SER N N 182 115.564 115.564 116.185 -0.621 25489 11698 1 20 . 1 1 182 182 SER HA H 182 4.599 4.599 4.404 0.195 25489 11699 1 20 . 1 1 182 182 SER H H 182 8.173 8.173 7.889 0.284 25489 11700 1 20 . 1 1 183 183 SER N N 183 117.066 117.066 114.597 2.469 25489 11701 1 20 . 1 1 183 183 SER H H 183 7.819 7.819 8.113 -0.294 25489 11702 1 20 . 1 1 184 184 LEU N N 184 121.954 121.954 121.833 0.121 25489 11703 1 20 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.253 0.109 25489 11704 1 20 . 1 1 184 184 LEU H H 184 8.104 8.104 7.346 0.758 25489 11705 1 20 . 1 1 185 185 GLY N N 185 108.989 108.989 105.372 3.617 25489 11706 1 20 . 1 1 185 185 GLY H H 185 7.954 7.954 7.327 0.627 25489 11707 1 20 . 1 1 186 186 ILE N N 186 123.084 123.084 120.328 2.756 25489 11708 1 20 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.748 0.031 25489 11709 1 20 . 1 1 186 186 ILE H H 186 8.878 8.878 8.532 0.346 25489 11710 1 20 . 1 1 187 187 ASN N N 187 126.999 126.999 124.500 2.499 25489 11711 1 20 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.903 -0.507 25489 11712 1 20 . 1 1 187 187 ASN H H 187 8.575 8.575 7.760 0.815 25489 11713 1 20 . 1 1 188 188 PHE N N 188 129.819 129.819 127.560 2.259 25489 11714 1 20 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.580 0.011 25489 11715 1 20 . 1 1 188 188 PHE H H 188 9.365 9.365 8.254 1.111 25489 11716 1 20 . 1 1 189 189 LEU N N 189 119.292 119.292 121.199 -1.907 25489 11717 1 20 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.704 0.129 25489 11718 1 20 . 1 1 189 189 LEU H H 189 8.551 8.551 8.263 0.288 25489 11719 1 20 . 1 1 191 191 ALA N N 191 120.347 120.347 121.018 -0.671 25489 11720 1 20 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.402 -0.105 25489 11721 1 20 . 1 1 191 191 ALA H H 191 7.973 7.973 7.659 0.314 25489 11722 1 20 . 1 1 192 192 ALA N N 192 121.365 121.365 121.095 0.270 25489 11723 1 20 . 1 1 192 192 ALA HA H 192 4.017 4.017 4.018 -0.001 25489 11724 1 20 . 1 1 192 192 ALA H H 192 9.258 9.258 8.132 1.126 25489 11725 1 20 . 1 1 193 193 THR N N 193 117.027 117.027 112.325 4.702 25489 11726 1 20 . 1 1 193 193 THR HA H 193 3.825 3.825 3.851 -0.026 25489 11727 1 20 . 1 1 193 193 THR H H 193 8.209 8.209 7.719 0.490 25489 11728 1 20 . 1 1 194 194 HIS N N 194 120.231 120.231 122.960 -2.729 25489 11729 1 20 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.374 -0.141 25489 11730 1 20 . 1 1 194 194 HIS H H 194 7.805 7.805 8.193 -0.388 25489 11731 1 20 . 1 1 195 195 ALA N N 195 121.346 121.346 120.628 0.718 25489 11732 1 20 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.416 -0.236 25489 11733 1 20 . 1 1 195 195 ALA H H 195 8.693 8.693 7.909 0.784 25489 11734 1 20 . 1 1 196 196 LEU N N 196 114.951 114.951 117.617 -2.666 25489 11735 1 20 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.321 -0.163 25489 11736 1 20 . 1 1 196 196 LEU H H 196 8.714 8.714 8.293 0.421 25489 11737 1 20 . 1 1 197 197 GLY N N 197 107.954 107.954 107.479 0.475 25489 11738 1 20 . 1 1 197 197 GLY H H 197 7.540 7.540 7.836 -0.296 25489 11739 1 20 . 1 1 198 198 HIS N N 198 121.996 121.996 118.602 3.394 25489 11740 1 20 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.631 0.178 25489 11741 1 20 . 1 1 198 198 HIS H H 198 7.205 7.205 7.231 -0.026 25489 11742 1 20 . 1 1 199 199 SER N N 199 118.570 118.570 115.514 3.056 25489 11743 1 20 . 1 1 199 199 SER HA H 199 4.448 4.448 4.404 0.044 25489 11744 1 20 . 1 1 199 199 SER H H 199 7.886 7.886 8.203 -0.317 25489 11745 1 20 . 1 1 200 200 LEU N N 200 114.779 114.779 120.078 -5.299 25489 11746 1 20 . 1 1 200 200 LEU H H 200 7.106 7.106 7.341 -0.235 25489 11747 1 20 . 1 1 201 201 GLY N N 201 108.350 108.350 103.848 4.502 25489 11748 1 20 . 1 1 201 201 GLY H H 201 8.213 8.213 7.349 0.864 25489 11749 1 20 . 1 1 202 202 MET N N 202 119.623 119.623 119.559 0.064 25489 11750 1 20 . 1 1 202 202 MET HA H 202 4.484 4.484 4.246 0.238 25489 11751 1 20 . 1 1 202 202 MET H H 202 8.189 8.189 7.278 0.911 25489 11752 1 20 . 1 1 203 203 GLY N N 203 109.770 109.770 106.513 3.257 25489 11753 1 20 . 1 1 203 203 GLY H H 203 8.413 8.413 8.560 -0.147 25489 11754 1 20 . 1 1 204 204 HIS N N 204 115.793 115.793 117.099 -1.306 25489 11755 1 20 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.923 0.451 25489 11756 1 20 . 1 1 204 204 HIS H H 204 8.383 8.383 8.152 0.231 25489 11757 1 20 . 1 1 205 205 SER N N 205 115.497 115.497 113.229 2.268 25489 11758 1 20 . 1 1 205 205 SER HA H 205 4.721 4.721 4.796 -0.075 25489 11759 1 20 . 1 1 205 205 SER H H 205 7.223 7.223 8.248 -1.025 25489 11760 1 20 . 1 1 206 206 SER N N 206 119.268 119.268 119.340 -0.072 25489 11761 1 20 . 1 1 206 206 SER HA H 206 3.721 3.721 4.359 -0.638 25489 11762 1 20 . 1 1 206 206 SER H H 206 8.290 8.290 8.711 -0.421 25489 11763 1 20 . 1 1 207 207 ASP N N 207 126.656 126.656 122.039 4.617 25489 11764 1 20 . 1 1 207 207 ASP H H 207 8.541 8.541 7.311 1.230 25489 11765 1 20 . 1 1 209 209 ASN N N 209 115.911 115.911 115.681 0.230 25489 11766 1 20 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.731 -0.115 25489 11767 1 20 . 1 1 209 209 ASN H H 209 8.374 8.374 7.733 0.641 25489 11768 1 20 . 1 1 210 210 ALA N N 210 124.929 124.929 123.625 1.304 25489 11769 1 20 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.437 -0.283 25489 11770 1 20 . 1 1 210 210 ALA H H 210 8.182 8.182 7.467 0.715 25489 11771 1 20 . 1 1 211 211 VAL N N 211 130.383 130.383 123.865 6.518 25489 11772 1 20 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.744 0.506 25489 11773 1 20 . 1 1 211 211 VAL H H 211 11.554 11.554 8.549 3.005 25489 11774 1 20 . 1 1 212 212 MET N N 212 113.319 113.319 114.801 -1.482 25489 11775 1 20 . 1 1 212 212 MET H H 212 7.741 7.741 8.163 -0.422 25489 11776 1 20 . 1 1 213 213 TYR N N 213 130.006 130.006 123.087 6.919 25489 11777 1 20 . 1 1 213 213 TYR H H 213 7.899 7.899 7.473 0.426 25489 11778 1 20 . 1 1 215 215 THR N N 215 104.747 104.747 111.074 -6.327 25489 11779 1 20 . 1 1 215 215 THR HA H 215 4.404 4.404 4.439 -0.035 25489 11780 1 20 . 1 1 215 215 THR H H 215 6.402 6.402 7.507 -1.105 25489 11781 1 20 . 1 1 216 216 TYR N N 216 124.699 124.699 123.765 0.934 25489 11782 1 20 . 1 1 216 216 TYR H H 216 8.341 8.341 8.750 -0.409 25489 11783 1 20 . 1 1 217 217 GLY N N 217 116.288 116.288 113.496 2.792 25489 11784 1 20 . 1 1 217 217 GLY H H 217 7.685 7.685 7.943 -0.258 25489 11785 1 20 . 1 1 218 218 ASN N N 218 119.920 119.920 120.038 -0.118 25489 11786 1 20 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.298 0.322 25489 11787 1 20 . 1 1 218 218 ASN H H 218 8.221 8.221 8.762 -0.541 25489 11788 1 20 . 1 1 219 219 GLY N N 219 109.601 109.601 108.996 0.605 25489 11789 1 20 . 1 1 219 219 GLY H H 219 8.072 8.072 7.579 0.493 25489 11790 1 20 . 1 1 220 220 ASP N N 220 123.006 123.006 123.877 -0.871 25489 11791 1 20 . 1 1 220 220 ASP H H 220 8.280 8.280 8.321 -0.041 25489 11792 1 20 . 1 1 222 222 GLN N N 222 116.642 116.642 124.876 -8.234 25489 11793 1 20 . 1 1 222 222 GLN H H 222 8.215 8.215 8.625 -0.410 25489 11794 1 20 . 1 1 223 223 ASN N N 223 118.361 118.361 115.733 2.628 25489 11795 1 20 . 1 1 223 223 ASN H H 223 7.970 7.970 8.189 -0.219 25489 11796 1 20 . 1 1 225 225 LYS N N 225 122.215 122.215 124.943 -2.728 25489 11797 1 20 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.593 -0.177 25489 11798 1 20 . 1 1 225 225 LYS H H 225 7.656 7.656 7.685 -0.029 25489 11799 1 20 . 1 1 226 226 LEU N N 226 119.165 119.165 120.962 -1.797 25489 11800 1 20 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.497 -0.409 25489 11801 1 20 . 1 1 226 226 LEU H H 226 7.984 7.984 8.281 -0.297 25489 11802 1 20 . 1 1 227 227 SER N N 227 120.520 120.520 118.667 1.853 25489 11803 1 20 . 1 1 227 227 SER HA H 227 4.676 4.676 4.623 0.053 25489 11804 1 20 . 1 1 227 227 SER H H 227 9.646 9.646 8.970 0.676 25489 11805 1 20 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.117 0.557 25489 11806 1 20 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.627 -0.253 25489 11807 1 20 . 1 1 229 229 ASP H H 229 8.113 8.113 7.985 0.128 25489 11808 1 20 . 1 1 230 230 ASP N N 230 119.878 119.878 121.773 -1.895 25489 11809 1 20 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.468 -0.130 25489 11810 1 20 . 1 1 230 230 ASP H H 230 7.397 7.397 7.843 -0.446 25489 11811 1 20 . 1 1 231 231 ILE N N 231 120.389 120.389 117.726 2.663 25489 11812 1 20 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.859 -0.204 25489 11813 1 20 . 1 1 231 231 ILE H H 231 8.100 8.100 7.580 0.520 25489 11814 1 20 . 1 1 232 232 LYS N N 232 119.084 119.084 119.199 -0.115 25489 11815 1 20 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.072 0.023 25489 11816 1 20 . 1 1 232 232 LYS H H 232 8.581 8.581 7.536 1.045 25489 11817 1 20 . 1 1 233 233 GLY N N 233 106.424 106.424 105.869 0.555 25489 11818 1 20 . 1 1 233 233 GLY H H 233 8.061 8.061 8.029 0.032 25489 11819 1 20 . 1 1 234 234 ILE N N 234 125.166 125.166 122.633 2.533 25489 11820 1 20 . 1 1 234 234 ILE H H 234 8.517 8.517 7.071 1.446 25489 11821 1 20 . 1 1 235 235 GLN N N 235 122.969 122.969 119.429 3.540 25489 11822 1 20 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.429 0.952 25489 11823 1 20 . 1 1 235 235 GLN H H 235 8.291 8.291 8.367 -0.076 25489 11824 1 20 . 1 1 236 236 LYS N N 236 123.770 123.770 117.568 6.202 25489 11825 1 20 . 1 1 236 236 LYS H H 236 8.035 8.035 7.540 0.495 25489 11826 1 20 . 1 1 237 237 LEU N N 237 116.854 116.854 118.224 -1.370 25489 11827 1 20 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.087 -0.128 25489 11828 1 20 . 1 1 237 237 LEU H H 237 6.886 6.886 7.487 -0.601 25489 11829 1 20 . 1 1 238 238 TYR N N 238 112.132 112.132 113.651 -1.519 25489 11830 1 20 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.925 -0.299 25489 11831 1 20 . 1 1 238 238 TYR H H 238 7.459 7.459 6.905 0.554 25489 11832 1 20 . 1 1 239 239 GLY N N 239 110.898 110.898 108.840 2.058 25489 11833 1 20 . 1 1 239 239 GLY H H 239 8.442 8.442 7.270 1.172 25489 11834 1 20 . 1 1 240 240 LYS N N 240 114.400 114.400 119.815 -5.415 25489 11835 1 20 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.529 0.275 25489 11836 1 20 . 1 1 240 240 LYS H H 240 7.865 7.865 8.265 -0.400 25489 11837 1 20 . 1 1 241 241 ARG N N 241 123.851 123.851 122.668 1.183 25489 11838 1 20 . 1 1 241 241 ARG H H 241 7.760 7.760 8.701 -0.941 25489 11839 1 20 . 1 1 242 242 SER N N 242 135.647 135.647 114.476 21.171 25489 11840 1 20 . 1 1 242 242 SER H H 242 9.158 9.158 8.546 0.612 25489 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 3.406 -0.425 3.387 25489 2 1 1 "Average Difference" HA 205 0.384 0.018 0.385 25489 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25489 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25489 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25489 6 1 1 "Average Difference" HN 215 0.689 -0.086 0.685 25489 7 1 2 "Average Difference" N 212 3.353 -0.483 3.326 25489 8 1 2 "Average Difference" HA 205 0.404 0.014 0.405 25489 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25489 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25489 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25489 12 1 2 "Average Difference" HN 215 0.702 -0.096 0.697 25489 13 1 3 "Average Difference" N 212 3.456 -0.307 3.450 25489 14 1 3 "Average Difference" HA 205 0.414 0.017 0.415 25489 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25489 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25489 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25489 18 1 3 "Average Difference" HN 215 0.726 -0.088 0.722 25489 19 1 4 "Average Difference" N 212 3.556 -0.410 3.540 25489 20 1 4 "Average Difference" HA 205 0.399 0.017 0.399 25489 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25489 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25489 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25489 24 1 4 "Average Difference" HN 215 0.698 -0.099 0.692 25489 25 1 5 "Average Difference" N 212 3.386 -0.441 3.365 25489 26 1 5 "Average Difference" HA 205 0.404 0.020 0.404 25489 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25489 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25489 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25489 30 1 5 "Average Difference" HN 215 0.689 -0.075 0.686 25489 31 1 6 "Average Difference" N 212 3.396 -0.405 3.380 25489 32 1 6 "Average Difference" HA 205 0.395 0.016 0.396 25489 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25489 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25489 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25489 36 1 6 "Average Difference" HN 215 0.706 -0.072 0.704 25489 37 1 7 "Average Difference" N 212 3.501 -0.339 3.493 25489 38 1 7 "Average Difference" HA 205 0.390 0.028 0.390 25489 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25489 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25489 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25489 42 1 7 "Average Difference" HN 215 0.708 -0.105 0.701 25489 43 1 8 "Average Difference" N 212 3.395 -0.334 3.387 25489 44 1 8 "Average Difference" HA 205 0.388 0.017 0.389 25489 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25489 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25489 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25489 48 1 8 "Average Difference" HN 215 0.726 -0.057 0.726 25489 49 1 9 "Average Difference" N 212 3.307 -0.408 3.290 25489 50 1 9 "Average Difference" HA 205 0.416 0.027 0.416 25489 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25489 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25489 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25489 54 1 9 "Average Difference" HN 215 0.691 -0.058 0.690 25489 55 1 10 "Average Difference" N 212 3.376 -0.414 3.358 25489 56 1 10 "Average Difference" HA 205 0.408 0.019 0.409 25489 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25489 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25489 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25489 60 1 10 "Average Difference" HN 215 0.719 -0.107 0.712 25489 61 1 11 "Average Difference" N 212 3.311 -0.345 3.300 25489 62 1 11 "Average Difference" HA 205 0.430 0.005 0.431 25489 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25489 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25489 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25489 66 1 11 "Average Difference" HN 215 0.711 -0.096 0.707 25489 67 1 12 "Average Difference" N 212 3.552 -0.389 3.539 25489 68 1 12 "Average Difference" HA 205 0.385 0.016 0.386 25489 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25489 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25489 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25489 72 1 12 "Average Difference" HN 215 0.713 -0.083 0.710 25489 73 1 13 "Average Difference" N 212 3.376 -0.516 3.344 25489 74 1 13 "Average Difference" HA 205 0.416 0.012 0.416 25489 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25489 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25489 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25489 78 1 13 "Average Difference" HN 215 0.710 -0.100 0.704 25489 79 1 14 "Average Difference" N 212 3.487 -0.504 3.459 25489 80 1 14 "Average Difference" HA 205 0.389 0.009 0.390 25489 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25489 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25489 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25489 84 1 14 "Average Difference" HN 215 0.717 -0.103 0.711 25489 85 1 15 "Average Difference" N 212 3.370 -0.322 3.363 25489 86 1 15 "Average Difference" HA 205 0.382 0.013 0.382 25489 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25489 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25489 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25489 90 1 15 "Average Difference" HN 215 0.721 -0.103 0.715 25489 91 1 16 "Average Difference" N 212 3.505 -0.328 3.498 25489 92 1 16 "Average Difference" HA 205 0.424 0.013 0.425 25489 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25489 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25489 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25489 96 1 16 "Average Difference" HN 215 0.708 -0.073 0.706 25489 97 1 17 "Average Difference" N 212 3.388 -0.583 3.346 25489 98 1 17 "Average Difference" HA 205 0.392 0.009 0.393 25489 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25489 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25489 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25489 102 1 17 "Average Difference" HN 215 0.724 -0.110 0.718 25489 103 1 18 "Average Difference" N 212 3.512 -0.244 3.511 25489 104 1 18 "Average Difference" HA 205 0.414 -0.001 0.415 25489 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25489 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25489 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25489 108 1 18 "Average Difference" HN 215 0.718 -0.078 0.715 25489 109 1 19 "Average Difference" N 212 3.373 -0.480 3.346 25489 110 1 19 "Average Difference" HA 205 0.409 0.025 0.409 25489 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25489 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25489 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25489 114 1 19 "Average Difference" HN 215 0.687 -0.096 0.681 25489 115 1 20 "Average Difference" N 212 3.456 -0.503 3.427 25489 116 1 20 "Average Difference" HA 205 0.396 0.024 0.396 25489 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25489 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25489 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25489 120 1 20 "Average Difference" HN 215 0.730 -0.126 0.720 25489 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 25489 _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 3 121.690 121.690 123.870 -2.180 25489 2 1 . 1 1 3 3 GLU H H 3 8.332 8.332 8.830 -0.498 25489 3 1 . 1 1 4 4 ALA N N 4 124.526 124.526 119.805 4.721 25489 4 1 . 1 1 4 4 ALA H H 4 8.111 8.111 8.268 -0.157 25489 5 1 . 1 1 5 5 GLY N N 5 108.229 108.229 104.828 3.401 25489 6 1 . 1 1 5 5 GLY H H 5 8.286 8.286 7.743 0.543 25489 7 1 . 1 1 6 6 GLY N N 6 108.867 108.867 108.418 0.449 25489 8 1 . 1 1 6 6 GLY H H 6 8.239 8.239 7.644 0.595 25489 9 1 . 1 1 7 7 MET N N 7 119.984 119.984 120.496 -0.512 25489 10 1 . 1 1 7 7 MET H H 7 8.044 8.044 7.415 0.629 25489 11 1 . 1 1 8 8 SER N N 8 118.771 118.771 119.376 -0.605 25489 12 1 . 1 1 8 8 SER HA H 8 4.239 4.239 4.504 -0.265 25489 13 1 . 1 1 8 8 SER H H 8 8.738 8.738 8.523 0.215 25489 14 1 . 1 1 9 9 GLU N N 9 122.551 122.551 127.307 -4.756 25489 15 1 . 1 1 9 9 GLU HA H 9 4.252 4.252 4.186 0.066 25489 16 1 . 1 1 9 9 GLU H H 9 8.919 8.919 9.063 -0.144 25489 17 1 . 1 1 10 10 LEU N N 10 120.638 120.638 119.954 0.684 25489 18 1 . 1 1 10 10 LEU H H 10 8.017 8.017 7.692 0.325 25489 19 1 . 1 1 11 11 GLN N N 11 119.889 119.889 118.747 1.142 25489 20 1 . 1 1 11 11 GLN HA H 11 4.134 4.134 4.083 0.051 25489 21 1 . 1 1 11 11 GLN H H 11 7.807 7.807 7.867 -0.060 25489 22 1 . 1 1 12 12 TRP N N 12 120.951 120.951 121.773 -0.822 25489 23 1 . 1 1 12 12 TRP H H 12 8.202 8.202 8.149 0.053 25489 24 1 . 1 1 13 13 GLU N N 13 121.870 121.870 118.890 2.980 25489 25 1 . 1 1 13 13 GLU H H 13 8.436 8.436 8.028 0.408 25489 26 1 . 1 1 14 14 GLN N N 14 120.646 120.646 118.623 2.023 25489 27 1 . 1 1 14 14 GLN HA H 14 4.169 4.169 3.792 0.377 25489 28 1 . 1 1 14 14 GLN H H 14 8.159 8.159 7.707 0.452 25489 29 1 . 1 1 15 15 ALA N N 15 123.216 123.216 122.139 1.077 25489 30 1 . 1 1 15 15 ALA HA H 15 4.338 4.338 3.818 0.520 25489 31 1 . 1 1 15 15 ALA H H 15 8.355 8.355 7.888 0.467 25489 32 1 . 1 1 16 16 GLN N N 16 117.766 117.766 116.843 0.923 25489 33 1 . 1 1 16 16 GLN HA H 16 3.705 3.705 3.818 -0.113 25489 34 1 . 1 1 16 16 GLN H H 16 8.440 8.440 7.851 0.589 25489 35 1 . 1 1 17 17 ASP N N 17 120.090 120.090 119.894 0.196 25489 36 1 . 1 1 17 17 ASP HA H 17 4.463 4.463 4.378 0.085 25489 37 1 . 1 1 17 17 ASP H H 17 7.899 7.899 7.513 0.386 25489 38 1 . 1 1 18 18 TYR N N 18 122.296 122.296 118.548 3.748 25489 39 1 . 1 1 18 18 TYR H H 18 8.264 8.264 8.023 0.241 25489 40 1 . 1 1 19 19 LEU N N 19 117.675 117.675 120.046 -2.371 25489 41 1 . 1 1 19 19 LEU HA H 19 4.125 4.125 4.200 -0.075 25489 42 1 . 1 1 19 19 LEU H H 19 8.687 8.687 7.957 0.730 25489 43 1 . 1 1 20 20 LYS N N 20 124.620 124.620 118.122 6.498 25489 44 1 . 1 1 20 20 LYS HA H 20 4.143 4.143 4.183 -0.040 25489 45 1 . 1 1 20 20 LYS H H 20 8.790 8.790 7.884 0.906 25489 46 1 . 1 1 21 21 ARG N N 21 117.608 117.608 117.138 0.470 25489 47 1 . 1 1 21 21 ARG HA H 21 3.697 3.697 4.180 -0.483 25489 48 1 . 1 1 21 21 ARG H H 21 7.835 7.835 7.647 0.188 25489 49 1 . 1 1 22 22 PHE N N 22 112.136 112.136 118.200 -6.064 25489 50 1 . 1 1 22 22 PHE H H 22 8.003 8.003 7.822 0.181 25489 51 1 . 1 1 23 23 TYR N N 23 116.244 116.244 115.597 0.647 25489 52 1 . 1 1 23 23 TYR H H 23 7.678 7.678 8.148 -0.470 25489 53 1 . 1 1 24 24 LEU N N 24 115.582 115.582 115.364 0.218 25489 54 1 . 1 1 24 24 LEU HA H 24 4.135 4.135 4.563 -0.428 25489 55 1 . 1 1 24 24 LEU H H 24 7.238 7.238 7.863 -0.625 25489 56 1 . 1 1 25 25 TYR N N 25 119.996 119.996 124.095 -4.099 25489 57 1 . 1 1 25 25 TYR HA H 25 4.405 4.405 4.559 -0.154 25489 58 1 . 1 1 25 25 TYR H H 25 7.826 7.826 8.525 -0.699 25489 59 1 . 1 1 26 26 ASP N N 26 129.292 129.292 127.193 2.099 25489 60 1 . 1 1 26 26 ASP HA H 26 4.461 4.461 4.614 -0.153 25489 61 1 . 1 1 26 26 ASP H H 26 8.121 8.121 8.134 -0.013 25489 62 1 . 1 1 28 28 GLU N N 28 122.115 122.115 121.032 1.083 25489 63 1 . 1 1 28 28 GLU HA H 28 4.281 4.281 4.246 0.035 25489 64 1 . 1 1 28 28 GLU H H 28 8.262 8.262 7.986 0.276 25489 65 1 . 1 1 29 29 THR N N 29 114.171 114.171 113.937 0.234 25489 66 1 . 1 1 29 29 THR HA H 29 4.222 4.222 4.216 0.006 25489 67 1 . 1 1 29 29 THR H H 29 7.496 7.496 8.031 -0.535 25489 68 1 . 1 1 30 30 LYS N N 30 123.019 123.019 123.071 -0.052 25489 69 1 . 1 1 30 30 LYS HA H 30 4.218 4.218 4.162 0.056 25489 70 1 . 1 1 30 30 LYS H H 30 8.154 8.154 7.405 0.749 25489 71 1 . 1 1 32 32 ALA N N 32 126.481 126.481 126.326 0.155 25489 72 1 . 1 1 32 32 ALA HA H 32 4.250 4.250 4.102 0.148 25489 73 1 . 1 1 32 32 ALA H H 32 8.424 8.424 8.816 -0.392 25489 74 1 . 1 1 33 33 ASN N N 33 116.834 116.834 115.724 1.110 25489 75 1 . 1 1 33 33 ASN HA H 33 4.698 4.698 4.622 0.076 25489 76 1 . 1 1 33 33 ASN H H 33 8.312 8.312 8.404 -0.092 25489 77 1 . 1 1 34 34 SER N N 34 116.960 116.960 117.106 -0.146 25489 78 1 . 1 1 34 34 SER HA H 34 4.522 4.522 4.299 0.223 25489 79 1 . 1 1 34 34 SER H H 34 8.112 8.112 7.956 0.156 25489 80 1 . 1 1 35 35 LEU N N 35 125.335 125.335 122.437 2.898 25489 81 1 . 1 1 35 35 LEU HA H 35 3.551 3.551 4.019 -0.468 25489 82 1 . 1 1 35 35 LEU H H 35 8.324 8.324 8.645 -0.321 25489 83 1 . 1 1 36 36 GLU N N 36 119.302 119.302 119.556 -0.254 25489 84 1 . 1 1 36 36 GLU HA H 36 3.943 3.943 4.155 -0.212 25489 85 1 . 1 1 36 36 GLU H H 36 8.239 8.239 8.031 0.208 25489 86 1 . 1 1 37 37 ALA N N 37 120.683 120.683 121.571 -0.888 25489 87 1 . 1 1 37 37 ALA HA H 37 4.047 4.047 4.136 -0.088 25489 88 1 . 1 1 37 37 ALA H H 37 7.898 7.898 7.932 -0.034 25489 89 1 . 1 1 38 38 LYS N N 38 119.470 119.470 119.151 0.319 25489 90 1 . 1 1 38 38 LYS HA H 38 4.333 4.333 4.101 0.231 25489 91 1 . 1 1 38 38 LYS H H 38 8.217 8.217 7.726 0.491 25489 92 1 . 1 1 39 39 LEU N N 39 122.664 122.664 120.149 2.515 25489 93 1 . 1 1 39 39 LEU HA H 39 3.914 3.914 4.067 -0.153 25489 94 1 . 1 1 39 39 LEU H H 39 8.658 8.658 8.227 0.431 25489 95 1 . 1 1 40 40 LYS N N 40 118.301 118.301 119.222 -0.921 25489 96 1 . 1 1 40 40 LYS HA H 40 4.673 4.673 4.032 0.641 25489 97 1 . 1 1 40 40 LYS H H 40 8.221 8.221 8.179 0.042 25489 98 1 . 1 1 41 41 GLU N N 41 121.462 121.462 119.886 1.576 25489 99 1 . 1 1 41 41 GLU HA H 41 4.068 4.068 4.130 -0.062 25489 100 1 . 1 1 41 41 GLU H H 41 7.736 7.736 7.921 -0.185 25489 101 1 . 1 1 42 42 MET N N 42 123.761 123.761 119.554 4.207 25489 102 1 . 1 1 42 42 MET HA H 42 4.046 4.046 4.396 -0.350 25489 103 1 . 1 1 42 42 MET H H 42 7.672 7.672 7.914 -0.242 25489 104 1 . 1 1 43 43 GLN N N 43 120.035 120.035 118.480 1.555 25489 105 1 . 1 1 43 43 GLN HA H 43 3.796 3.796 4.122 -0.326 25489 106 1 . 1 1 43 43 GLN H H 43 8.904 8.904 8.236 0.668 25489 107 1 . 1 1 44 44 LYS N N 44 119.131 119.131 119.953 -0.822 25489 108 1 . 1 1 44 44 LYS HA H 44 4.052 4.052 4.217 -0.165 25489 109 1 . 1 1 44 44 LYS H H 44 8.511 8.511 7.999 0.512 25489 110 1 . 1 1 45 45 PHE N N 45 123.544 123.544 120.162 3.382 25489 111 1 . 1 1 45 45 PHE HA H 45 3.850 3.850 4.219 -0.369 25489 112 1 . 1 1 45 45 PHE H H 45 8.438 8.438 8.095 0.343 25489 113 1 . 1 1 46 46 PHE N N 46 112.789 112.789 115.428 -2.639 25489 114 1 . 1 1 46 46 PHE HA H 46 4.582 4.582 4.582 0.000 25489 115 1 . 1 1 46 46 PHE H H 46 8.273 8.273 7.876 0.397 25489 116 1 . 1 1 47 47 GLY N N 47 110.408 110.408 106.473 3.935 25489 117 1 . 1 1 47 47 GLY H H 47 7.922 7.922 7.722 0.200 25489 118 1 . 1 1 48 48 LEU N N 48 121.853 121.853 122.483 -0.630 25489 119 1 . 1 1 48 48 LEU H H 48 8.747 8.747 7.820 0.927 25489 120 1 . 1 1 49 49 PRO HA H 49 4.201 4.201 4.382 -0.181 25489 121 1 . 1 1 50 50 ILE N N 50 127.000 127.000 120.948 6.052 25489 122 1 . 1 1 50 50 ILE H H 50 8.529 8.529 7.720 0.809 25489 123 1 . 1 1 51 51 THR N N 51 116.519 116.519 116.797 -0.278 25489 124 1 . 1 1 51 51 THR H H 51 7.980 7.980 8.183 -0.203 25489 125 1 . 1 1 52 52 GLY N N 52 112.725 112.725 112.890 -0.165 25489 126 1 . 1 1 52 52 GLY H H 52 9.483 9.483 9.568 -0.085 25489 127 1 . 1 1 53 53 MET N N 53 116.735 116.735 119.466 -2.731 25489 128 1 . 1 1 53 53 MET HA H 53 4.044 4.044 4.802 -0.758 25489 129 1 . 1 1 53 53 MET H H 53 7.969 7.969 7.817 0.152 25489 130 1 . 1 1 54 54 LEU N N 54 122.602 122.602 125.882 -3.280 25489 131 1 . 1 1 54 54 LEU HA H 54 3.706 3.706 4.639 -0.933 25489 132 1 . 1 1 54 54 LEU H H 54 7.926 7.926 8.566 -0.640 25489 133 1 . 1 1 55 55 ASN N N 55 115.755 115.755 118.663 -2.908 25489 134 1 . 1 1 55 55 ASN HA H 55 4.740 4.740 4.823 -0.083 25489 135 1 . 1 1 55 55 ASN H H 55 6.555 6.555 8.613 -2.058 25489 136 1 . 1 1 56 56 SER N N 56 121.450 121.450 115.472 5.978 25489 137 1 . 1 1 56 56 SER HA H 56 4.662 4.662 4.618 0.044 25489 138 1 . 1 1 56 56 SER H H 56 8.205 8.205 8.012 0.193 25489 139 1 . 1 1 57 57 ARG N N 57 123.219 123.219 121.602 1.617 25489 140 1 . 1 1 57 57 ARG HA H 57 4.206 4.206 4.055 0.151 25489 141 1 . 1 1 57 57 ARG H H 57 7.883 7.883 8.646 -0.763 25489 142 1 . 1 1 58 58 VAL N N 58 118.843 118.843 117.274 1.569 25489 143 1 . 1 1 58 58 VAL HA H 58 3.300 3.300 3.271 0.029 25489 144 1 . 1 1 58 58 VAL H H 58 7.594 7.594 7.947 -0.353 25489 145 1 . 1 1 59 59 ILE N N 59 119.212 119.212 117.562 1.650 25489 146 1 . 1 1 59 59 ILE HA H 59 3.469 3.469 4.009 -0.540 25489 147 1 . 1 1 59 59 ILE H H 59 7.326 7.326 7.710 -0.384 25489 148 1 . 1 1 60 60 GLU N N 60 119.544 119.544 120.952 -1.407 25489 149 1 . 1 1 60 60 GLU H H 60 7.880 7.880 7.759 0.121 25489 150 1 . 1 1 61 61 ILE N N 61 118.812 118.812 115.523 3.289 25489 151 1 . 1 1 61 61 ILE HA H 61 3.442 3.442 3.846 -0.404 25489 152 1 . 1 1 61 61 ILE H H 61 7.217 7.217 7.409 -0.192 25489 153 1 . 1 1 62 62 MET N N 62 120.202 120.202 115.706 4.496 25489 154 1 . 1 1 62 62 MET HA H 62 3.419 3.419 4.186 -0.767 25489 155 1 . 1 1 62 62 MET H H 62 7.820 7.820 7.336 0.484 25489 156 1 . 1 1 63 63 GLN N N 63 116.274 116.274 116.663 -0.389 25489 157 1 . 1 1 63 63 GLN HA H 63 4.241 4.241 4.260 -0.019 25489 158 1 . 1 1 63 63 GLN H H 63 7.442 7.442 7.491 -0.049 25489 159 1 . 1 1 64 64 LYS N N 64 121.450 121.450 120.293 1.157 25489 160 1 . 1 1 64 64 LYS HA H 64 4.499 4.499 4.418 0.081 25489 161 1 . 1 1 64 64 LYS H H 64 7.474 7.474 7.501 -0.027 25489 162 1 . 1 1 66 66 ARG N N 66 113.173 113.173 121.165 -7.992 25489 163 1 . 1 1 66 66 ARG HA H 66 4.439 4.439 4.739 -0.300 25489 164 1 . 1 1 66 66 ARG H H 66 8.151 8.151 7.918 0.233 25489 165 1 . 1 1 67 67 CYS N N 67 121.794 121.794 121.292 0.502 25489 166 1 . 1 1 67 67 CYS HA H 67 4.420 4.420 4.621 -0.201 25489 167 1 . 1 1 67 67 CYS H H 67 7.709 7.709 8.993 -1.284 25489 168 1 . 1 1 68 68 GLY N N 68 116.255 116.255 117.137 -0.882 25489 169 1 . 1 1 68 68 GLY H H 68 9.707 9.707 8.922 0.785 25489 170 1 . 1 1 69 69 VAL N N 69 126.541 126.541 116.072 10.469 25489 171 1 . 1 1 69 69 VAL HA H 69 3.807 3.807 4.657 -0.850 25489 172 1 . 1 1 69 69 VAL H H 69 9.118 9.118 7.294 1.824 25489 173 1 . 1 1 71 71 ASP N N 71 119.114 119.114 120.726 -1.612 25489 174 1 . 1 1 71 71 ASP HA H 71 4.483 4.483 4.436 0.047 25489 175 1 . 1 1 71 71 ASP H H 71 8.067 8.067 8.517 -0.450 25489 176 1 . 1 1 72 72 VAL N N 72 112.988 112.988 116.428 -3.440 25489 177 1 . 1 1 72 72 VAL HA H 72 4.281 4.281 3.643 0.638 25489 178 1 . 1 1 72 72 VAL H H 72 6.438 6.438 7.433 -0.995 25489 179 1 . 1 1 73 73 ALA N N 73 125.902 125.902 128.341 -2.439 25489 180 1 . 1 1 73 73 ALA HA H 73 4.267 4.267 4.272 -0.005 25489 181 1 . 1 1 73 73 ALA H H 73 8.171 8.171 6.535 1.636 25489 182 1 . 1 1 74 74 GLU N N 74 120.835 120.835 123.546 -2.711 25489 183 1 . 1 1 74 74 GLU HA H 74 4.083 4.083 4.294 -0.211 25489 184 1 . 1 1 74 74 GLU H H 74 8.385 8.385 8.268 0.117 25489 185 1 . 1 1 75 75 TYR N N 75 121.820 121.820 121.179 0.641 25489 186 1 . 1 1 75 75 TYR HA H 75 4.394 4.394 4.799 -0.405 25489 187 1 . 1 1 75 75 TYR H H 75 8.102 8.102 7.540 0.562 25489 188 1 . 1 1 76 76 SER N N 76 117.881 117.881 118.891 -1.010 25489 189 1 . 1 1 76 76 SER H H 76 7.718 7.718 8.775 -1.057 25489 190 1 . 1 1 77 77 LEU N N 77 123.835 123.835 121.432 2.403 25489 191 1 . 1 1 77 77 LEU HA H 77 4.092 4.092 4.091 0.001 25489 192 1 . 1 1 77 77 LEU H H 77 8.033 8.033 8.666 -0.633 25489 193 1 . 1 1 78 78 PHE N N 78 118.893 118.893 123.383 -4.490 25489 194 1 . 1 1 78 78 PHE HA H 78 4.845 4.845 4.496 0.349 25489 195 1 . 1 1 78 78 PHE H H 78 7.822 7.822 7.727 0.095 25489 196 1 . 1 1 79 79 PRO HA H 79 4.331 4.331 4.237 0.094 25489 197 1 . 1 1 80 80 ASN N N 80 118.184 118.184 120.308 -2.124 25489 198 1 . 1 1 80 80 ASN HA H 80 4.680 4.680 4.813 -0.133 25489 199 1 . 1 1 80 80 ASN H H 80 8.106 8.106 8.274 -0.168 25489 200 1 . 1 1 81 81 SER HA H 81 4.636 4.636 4.860 -0.224 25489 201 1 . 1 1 83 83 LYS N N 83 114.696 114.696 114.563 0.133 25489 202 1 . 1 1 83 83 LYS HA H 83 4.223 4.223 4.652 -0.429 25489 203 1 . 1 1 83 83 LYS H H 83 7.361 7.361 7.392 -0.031 25489 204 1 . 1 1 84 84 TRP N N 84 122.459 122.459 122.630 -0.171 25489 205 1 . 1 1 84 84 TRP HA H 84 4.003 4.003 4.700 -0.697 25489 206 1 . 1 1 84 84 TRP H H 84 8.020 8.020 8.596 -0.576 25489 207 1 . 1 1 85 85 THR N N 85 113.482 113.482 119.025 -5.543 25489 208 1 . 1 1 85 85 THR HA H 85 4.586 4.586 4.363 0.223 25489 209 1 . 1 1 85 85 THR H H 85 8.833 8.833 7.905 0.928 25489 210 1 . 1 1 86 86 SER N N 86 117.316 117.316 116.193 1.123 25489 211 1 . 1 1 86 86 SER HA H 86 4.665 4.665 4.308 0.357 25489 212 1 . 1 1 86 86 SER H H 86 7.724 7.724 7.049 0.675 25489 213 1 . 1 1 87 87 LYS N N 87 120.411 120.411 123.283 -2.872 25489 214 1 . 1 1 87 87 LYS HA H 87 4.139 4.139 4.243 -0.104 25489 215 1 . 1 1 87 87 LYS H H 87 8.312 8.312 8.686 -0.374 25489 216 1 . 1 1 88 88 VAL N N 88 117.674 117.674 111.891 5.783 25489 217 1 . 1 1 88 88 VAL HA H 88 4.651 4.651 4.503 0.148 25489 218 1 . 1 1 88 88 VAL H H 88 7.425 7.425 7.446 -0.021 25489 219 1 . 1 1 89 89 VAL N N 89 131.493 131.493 125.158 6.335 25489 220 1 . 1 1 89 89 VAL HA H 89 4.141 4.141 4.622 -0.481 25489 221 1 . 1 1 89 89 VAL H H 89 8.574 8.574 8.879 -0.305 25489 222 1 . 1 1 90 90 THR N N 90 118.245 118.245 119.242 -0.997 25489 223 1 . 1 1 90 90 THR HA H 90 5.627 5.627 5.397 0.230 25489 224 1 . 1 1 90 90 THR H H 90 9.021 9.021 8.533 0.488 25489 225 1 . 1 1 91 91 TYR N N 91 118.267 118.267 120.354 -2.087 25489 226 1 . 1 1 91 91 TYR HA H 91 5.674 5.674 5.619 0.055 25489 227 1 . 1 1 91 91 TYR H H 91 8.555 8.555 8.787 -0.232 25489 228 1 . 1 1 92 92 ARG N N 92 120.260 120.260 122.336 -2.076 25489 229 1 . 1 1 92 92 ARG HA H 92 4.646 4.646 4.899 -0.253 25489 230 1 . 1 1 92 92 ARG H H 92 8.513 8.513 8.863 -0.350 25489 231 1 . 1 1 93 93 ILE N N 93 128.361 128.361 127.038 1.323 25489 232 1 . 1 1 93 93 ILE HA H 93 4.619 4.619 4.616 0.003 25489 233 1 . 1 1 93 93 ILE H H 93 8.878 8.878 9.004 -0.126 25489 234 1 . 1 1 94 94 VAL N N 94 126.374 126.374 123.537 2.837 25489 235 1 . 1 1 94 94 VAL HA H 94 4.000 4.000 4.245 -0.245 25489 236 1 . 1 1 94 94 VAL H H 94 9.492 9.492 8.523 0.969 25489 237 1 . 1 1 95 95 SER N N 95 113.303 113.303 114.382 -1.079 25489 238 1 . 1 1 95 95 SER HA H 95 4.705 4.705 4.772 -0.067 25489 239 1 . 1 1 95 95 SER H H 95 7.431 7.431 7.577 -0.146 25489 240 1 . 1 1 96 96 TYR N N 96 117.054 117.054 119.455 -2.401 25489 241 1 . 1 1 96 96 TYR H H 96 8.255 8.255 8.280 -0.025 25489 242 1 . 1 1 98 98 ARG N N 98 128.445 128.445 126.165 2.280 25489 243 1 . 1 1 98 98 ARG HA H 98 4.338 4.338 4.315 0.023 25489 244 1 . 1 1 98 98 ARG H H 98 8.964 8.964 8.754 0.210 25489 245 1 . 1 1 99 99 ASP N N 99 120.412 120.412 118.582 1.830 25489 246 1 . 1 1 99 99 ASP HA H 99 4.335 4.335 4.588 -0.253 25489 247 1 . 1 1 99 99 ASP H H 99 8.695 8.695 7.731 0.964 25489 248 1 . 1 1 100 100 LEU N N 100 116.851 116.851 119.739 -2.888 25489 249 1 . 1 1 100 100 LEU HA H 100 4.933 4.933 4.615 0.317 25489 250 1 . 1 1 100 100 LEU H H 100 6.902 6.902 7.250 -0.348 25489 251 1 . 1 1 102 102 HIS HA H 102 4.167 4.167 4.068 0.099 25489 252 1 . 1 1 103 103 ILE N N 103 115.469 115.469 114.782 0.687 25489 253 1 . 1 1 103 103 ILE HA H 103 4.173 4.173 3.845 0.328 25489 254 1 . 1 1 103 103 ILE H H 103 8.296 8.296 8.098 0.198 25489 255 1 . 1 1 104 104 THR N N 104 119.413 119.413 115.771 3.642 25489 256 1 . 1 1 104 104 THR HA H 104 4.019 4.019 4.107 -0.088 25489 257 1 . 1 1 104 104 THR H H 104 6.915 6.915 7.733 -0.818 25489 258 1 . 1 1 105 105 VAL N N 105 123.232 123.232 121.165 2.067 25489 259 1 . 1 1 105 105 VAL HA H 105 3.414 3.414 3.556 -0.142 25489 260 1 . 1 1 105 105 VAL H H 105 7.379 7.379 7.365 0.014 25489 261 1 . 1 1 106 106 ASP N N 106 120.160 120.160 120.136 0.024 25489 262 1 . 1 1 106 106 ASP H H 106 8.615 8.615 8.243 0.372 25489 263 1 . 1 1 107 107 ARG N N 107 121.041 121.041 118.960 2.081 25489 264 1 . 1 1 107 107 ARG HA H 107 4.090 4.090 4.075 0.015 25489 265 1 . 1 1 107 107 ARG H H 107 8.372 8.372 7.600 0.772 25489 266 1 . 1 1 108 108 LEU N N 108 121.644 121.644 120.105 1.539 25489 267 1 . 1 1 108 108 LEU HA H 108 4.253 4.253 4.036 0.217 25489 268 1 . 1 1 108 108 LEU H H 108 8.768 8.768 8.149 0.619 25489 269 1 . 1 1 109 109 VAL N N 109 120.347 120.347 119.947 0.400 25489 270 1 . 1 1 109 109 VAL HA H 109 3.371 3.371 3.381 -0.010 25489 271 1 . 1 1 109 109 VAL H H 109 8.762 8.762 8.282 0.480 25489 272 1 . 1 1 110 110 SER N N 110 112.949 112.949 115.118 -2.169 25489 273 1 . 1 1 110 110 SER HA H 110 4.270 4.270 3.734 0.536 25489 274 1 . 1 1 110 110 SER H H 110 7.605 7.605 8.019 -0.414 25489 275 1 . 1 1 111 111 LYS N N 111 122.434 122.434 121.381 1.054 25489 276 1 . 1 1 111 111 LYS HA H 111 4.042 4.042 3.965 0.077 25489 277 1 . 1 1 111 111 LYS H H 111 8.146 8.146 7.925 0.221 25489 278 1 . 1 1 112 112 ALA N N 112 124.099 124.099 121.843 2.256 25489 279 1 . 1 1 112 112 ALA HA H 112 4.077 4.077 3.672 0.405 25489 280 1 . 1 1 112 112 ALA H H 112 8.270 8.270 7.683 0.587 25489 281 1 . 1 1 113 113 LEU N N 113 116.251 116.251 118.033 -1.782 25489 282 1 . 1 1 113 113 LEU HA H 113 3.722 3.722 3.618 0.104 25489 283 1 . 1 1 113 113 LEU H H 113 8.019 8.019 7.810 0.209 25489 284 1 . 1 1 114 114 ASN N N 114 116.659 116.659 116.572 0.087 25489 285 1 . 1 1 114 114 ASN HA H 114 4.529 4.529 4.563 -0.034 25489 286 1 . 1 1 114 114 ASN H H 114 8.197 8.197 7.934 0.263 25489 287 1 . 1 1 115 115 MET N N 115 122.118 122.118 119.460 2.658 25489 288 1 . 1 1 115 115 MET HA H 115 4.013 4.013 4.148 -0.135 25489 289 1 . 1 1 115 115 MET H H 115 7.918 7.918 7.514 0.404 25489 290 1 . 1 1 116 116 TRP N N 116 117.117 117.117 117.645 -0.529 25489 291 1 . 1 1 116 116 TRP HA H 116 4.510 4.510 4.482 0.028 25489 292 1 . 1 1 116 116 TRP H H 116 6.773 6.773 7.800 -1.027 25489 293 1 . 1 1 117 117 GLY N N 117 104.656 104.656 105.938 -1.282 25489 294 1 . 1 1 117 117 GLY H H 117 9.305 9.305 8.134 1.171 25489 295 1 . 1 1 118 118 LYS N N 118 118.567 118.567 119.615 -1.048 25489 296 1 . 1 1 118 118 LYS HA H 118 4.177 4.177 4.275 -0.098 25489 297 1 . 1 1 118 118 LYS H H 118 7.947 7.947 7.557 0.390 25489 298 1 . 1 1 119 119 GLU N N 119 113.899 113.899 117.117 -3.218 25489 299 1 . 1 1 119 119 GLU HA H 119 4.808 4.808 4.400 0.407 25489 300 1 . 1 1 119 119 GLU H H 119 7.773 7.773 7.886 -0.113 25489 301 1 . 1 1 120 120 ILE N N 120 111.215 111.215 119.919 -8.704 25489 302 1 . 1 1 120 120 ILE HA H 120 5.321 5.321 4.660 0.661 25489 303 1 . 1 1 120 120 ILE H H 120 7.528 7.528 7.820 -0.292 25489 304 1 . 1 1 121 121 PRO HA H 121 4.621 4.621 4.556 0.065 25489 305 1 . 1 1 122 122 LEU N N 122 121.481 121.481 120.579 0.902 25489 306 1 . 1 1 122 122 LEU HA H 122 4.292 4.292 4.504 -0.212 25489 307 1 . 1 1 122 122 LEU H H 122 6.815 6.815 7.813 -0.998 25489 308 1 . 1 1 123 123 HIS N N 123 120.769 120.769 121.198 -0.429 25489 309 1 . 1 1 123 123 HIS HA H 123 4.592 4.592 4.705 -0.113 25489 310 1 . 1 1 123 123 HIS H H 123 7.709 7.709 8.367 -0.658 25489 311 1 . 1 1 124 124 PHE N N 124 120.530 120.530 120.660 -0.130 25489 312 1 . 1 1 124 124 PHE HA H 124 5.812 5.812 5.037 0.775 25489 313 1 . 1 1 124 124 PHE H H 124 8.306 8.306 7.435 0.871 25489 314 1 . 1 1 125 125 ARG N N 125 123.891 123.891 123.476 0.415 25489 315 1 . 1 1 125 125 ARG HA H 125 4.653 4.653 4.693 -0.040 25489 316 1 . 1 1 125 125 ARG H H 125 8.408 8.408 8.767 -0.359 25489 317 1 . 1 1 126 126 LYS N N 126 130.178 130.178 126.037 4.141 25489 318 1 . 1 1 126 126 LYS HA H 126 3.361 3.361 3.656 -0.294 25489 319 1 . 1 1 126 126 LYS H H 126 8.468 8.468 8.593 -0.125 25489 320 1 . 1 1 127 127 VAL N N 127 125.180 125.180 126.637 -1.457 25489 321 1 . 1 1 127 127 VAL HA H 127 4.508 4.508 4.317 0.191 25489 322 1 . 1 1 127 127 VAL H H 127 8.679 8.679 8.158 0.521 25489 323 1 . 1 1 128 128 VAL N N 128 117.584 117.584 119.596 -2.012 25489 324 1 . 1 1 128 128 VAL HA H 128 4.286 4.286 4.412 -0.126 25489 325 1 . 1 1 128 128 VAL H H 128 8.469 8.469 8.366 0.103 25489 326 1 . 1 1 129 129 TRP N N 129 119.805 119.805 120.262 -0.457 25489 327 1 . 1 1 129 129 TRP HA H 129 4.686 4.686 4.711 -0.025 25489 328 1 . 1 1 129 129 TRP H H 129 7.447 7.447 7.669 -0.222 25489 329 1 . 1 1 130 130 GLY N N 130 109.844 109.844 112.876 -3.032 25489 330 1 . 1 1 130 130 GLY H H 130 8.072 8.072 7.661 0.410 25489 331 1 . 1 1 131 131 THR N N 131 116.125 116.125 112.916 3.209 25489 332 1 . 1 1 131 131 THR HA H 131 4.123 4.123 4.285 -0.162 25489 333 1 . 1 1 131 131 THR H H 131 8.196 8.196 8.105 0.091 25489 334 1 . 1 1 132 132 ALA N N 132 129.613 129.613 129.986 -0.373 25489 335 1 . 1 1 132 132 ALA HA H 132 4.511 4.511 4.482 0.029 25489 336 1 . 1 1 132 132 ALA H H 132 7.919 7.919 8.244 -0.325 25489 337 1 . 1 1 133 133 ASP N N 133 123.004 123.004 122.055 0.949 25489 338 1 . 1 1 133 133 ASP HA H 133 4.442 4.442 4.655 -0.213 25489 339 1 . 1 1 133 133 ASP H H 133 8.248 8.248 8.551 -0.303 25489 340 1 . 1 1 134 134 ILE N N 134 125.478 125.478 122.447 3.031 25489 341 1 . 1 1 134 134 ILE HA H 134 4.093 4.093 4.228 -0.135 25489 342 1 . 1 1 134 134 ILE H H 134 8.804 8.804 8.132 0.673 25489 343 1 . 1 1 135 135 MET N N 135 127.471 127.471 127.725 -0.254 25489 344 1 . 1 1 135 135 MET HA H 135 5.194 5.194 5.190 0.004 25489 345 1 . 1 1 135 135 MET H H 135 7.437 7.437 8.637 -1.200 25489 346 1 . 1 1 136 136 ILE N N 136 125.040 125.040 124.819 0.221 25489 347 1 . 1 1 136 136 ILE HA H 136 5.577 5.577 4.694 0.883 25489 348 1 . 1 1 136 136 ILE H H 136 9.085 9.085 8.462 0.623 25489 349 1 . 1 1 137 137 GLY N N 137 112.059 112.059 113.776 -1.717 25489 350 1 . 1 1 137 137 GLY H H 137 8.568 8.568 8.375 0.193 25489 351 1 . 1 1 138 138 PHE N N 138 119.447 119.447 120.317 -0.870 25489 352 1 . 1 1 138 138 PHE HA H 138 5.454 5.454 5.454 0.000 25489 353 1 . 1 1 138 138 PHE H H 138 7.861 7.861 8.402 -0.541 25489 354 1 . 1 1 139 139 ALA N N 139 123.657 123.657 125.421 -1.764 25489 355 1 . 1 1 139 139 ALA HA H 139 4.735 4.735 4.670 0.065 25489 356 1 . 1 1 139 139 ALA H H 139 8.939 8.939 8.977 -0.038 25489 357 1 . 1 1 140 140 ARG N N 140 118.688 118.688 120.074 -1.386 25489 358 1 . 1 1 140 140 ARG HA H 140 5.074 5.074 4.592 0.482 25489 359 1 . 1 1 140 140 ARG H H 140 8.563 8.563 8.504 0.059 25489 360 1 . 1 1 141 141 GLY N N 141 108.964 108.964 107.452 1.512 25489 361 1 . 1 1 141 141 GLY H H 141 9.018 9.018 8.409 0.609 25489 362 1 . 1 1 143 143 HIS N N 143 120.218 120.218 113.923 6.295 25489 363 1 . 1 1 143 143 HIS H H 143 8.998 8.998 7.809 1.189 25489 364 1 . 1 1 145 145 ASP N N 145 117.684 117.684 119.361 -1.677 25489 365 1 . 1 1 145 145 ASP HA H 145 4.700 4.700 4.481 0.219 25489 366 1 . 1 1 145 145 ASP H H 145 7.088 7.088 8.443 -1.355 25489 367 1 . 1 1 146 146 SER HA H 146 4.140 4.140 4.373 -0.233 25489 368 1 . 1 1 146 146 SER H H 146 8.220 8.220 7.381 0.839 25489 369 1 . 1 1 147 147 TYR N N 147 120.867 120.867 124.368 -3.501 25489 370 1 . 1 1 147 147 TYR HA H 147 4.788 4.788 4.256 0.532 25489 371 1 . 1 1 147 147 TYR H H 147 7.459 7.459 8.734 -1.276 25489 372 1 . 1 1 149 149 PHE N N 149 120.630 120.630 120.730 -0.100 25489 373 1 . 1 1 149 149 PHE H H 149 8.018 8.018 8.667 -0.649 25489 374 1 . 1 1 150 150 ASP N N 150 115.626 115.626 115.484 0.142 25489 375 1 . 1 1 150 150 ASP HA H 150 4.843 4.843 4.416 0.427 25489 376 1 . 1 1 150 150 ASP H H 150 7.543 7.543 7.875 -0.332 25489 377 1 . 1 1 151 151 GLY N N 151 110.700 110.700 107.607 3.093 25489 378 1 . 1 1 151 151 GLY H H 151 9.074 9.074 8.342 0.732 25489 379 1 . 1 1 152 152 PRO HA H 152 4.026 4.026 4.490 -0.464 25489 380 1 . 1 1 153 153 GLY N N 153 118.786 118.786 115.873 2.913 25489 381 1 . 1 1 153 153 GLY H H 153 11.385 11.385 8.134 3.251 25489 382 1 . 1 1 154 154 ASN N N 154 120.613 120.613 124.533 -3.920 25489 383 1 . 1 1 154 154 ASN HA H 154 4.198 4.198 4.359 -0.161 25489 384 1 . 1 1 154 154 ASN H H 154 9.225 9.225 8.500 0.725 25489 385 1 . 1 1 155 155 THR N N 155 118.700 118.700 115.514 3.186 25489 386 1 . 1 1 155 155 THR HA H 155 5.542 5.542 4.073 1.469 25489 387 1 . 1 1 155 155 THR H H 155 9.519 9.519 8.681 0.838 25489 388 1 . 1 1 156 156 LEU N N 156 122.765 122.765 124.016 -1.251 25489 389 1 . 1 1 156 156 LEU HA H 156 4.942 4.942 4.635 0.307 25489 390 1 . 1 1 156 156 LEU H H 156 8.500 8.500 8.770 -0.270 25489 391 1 . 1 1 157 157 ALA N N 157 115.545 115.545 117.100 -1.555 25489 392 1 . 1 1 157 157 ALA HA H 157 5.007 5.007 4.860 0.147 25489 393 1 . 1 1 157 157 ALA H H 157 7.545 7.545 7.456 0.089 25489 394 1 . 1 1 158 158 HIS N N 158 111.868 111.868 115.424 -3.556 25489 395 1 . 1 1 158 158 HIS HA H 158 4.617 4.617 5.019 -0.402 25489 396 1 . 1 1 158 158 HIS H H 158 8.774 8.774 8.721 0.053 25489 397 1 . 1 1 159 159 ALA N N 159 118.565 118.565 121.939 -3.374 25489 398 1 . 1 1 159 159 ALA HA H 159 4.657 4.657 4.646 0.011 25489 399 1 . 1 1 159 159 ALA H H 159 6.114 6.114 8.205 -2.091 25489 400 1 . 1 1 160 160 PHE N N 160 118.042 118.042 119.787 -1.745 25489 401 1 . 1 1 160 160 PHE HA H 160 4.481 4.481 4.665 -0.184 25489 402 1 . 1 1 160 160 PHE H H 160 7.897 7.897 8.209 -0.312 25489 403 1 . 1 1 161 161 ALA N N 161 123.548 123.548 124.345 -0.797 25489 404 1 . 1 1 161 161 ALA HA H 161 4.483 4.483 4.356 0.127 25489 405 1 . 1 1 161 161 ALA H H 161 8.089 8.089 8.503 -0.414 25489 406 1 . 1 1 162 162 PRO HA H 162 2.871 2.871 4.451 -1.581 25489 407 1 . 1 1 163 163 GLY N N 163 107.255 107.255 110.339 -3.084 25489 408 1 . 1 1 163 163 GLY H H 163 5.992 5.992 7.755 -1.763 25489 409 1 . 1 1 165 165 GLY H H 165 9.149 9.149 8.214 0.935 25489 410 1 . 1 1 166 166 LEU HA H 166 4.153 4.153 4.142 0.011 25489 411 1 . 1 1 167 167 GLY N N 167 103.338 103.338 104.027 -0.689 25489 412 1 . 1 1 167 167 GLY H H 167 7.774 7.774 7.278 0.496 25489 413 1 . 1 1 168 168 GLY N N 168 121.031 121.031 108.858 12.173 25489 414 1 . 1 1 168 168 GLY H H 168 7.685 7.685 8.116 -0.431 25489 415 1 . 1 1 169 169 ASP N N 169 123.703 123.703 122.541 1.162 25489 416 1 . 1 1 169 169 ASP H H 169 8.578 8.578 7.806 0.772 25489 417 1 . 1 1 170 170 ALA N N 170 119.569 119.569 122.389 -2.820 25489 418 1 . 1 1 170 170 ALA HA H 170 4.704 4.704 4.741 -0.037 25489 419 1 . 1 1 170 170 ALA H H 170 8.371 8.371 8.029 0.342 25489 420 1 . 1 1 171 171 HIS N N 171 120.286 120.286 120.537 -0.252 25489 421 1 . 1 1 171 171 HIS HA H 171 5.730 5.730 4.897 0.833 25489 422 1 . 1 1 171 171 HIS H H 171 8.513 8.513 8.385 0.128 25489 423 1 . 1 1 172 172 PHE N N 172 120.919 120.919 124.075 -3.156 25489 424 1 . 1 1 172 172 PHE H H 172 8.457 8.457 8.779 -0.322 25489 425 1 . 1 1 173 173 ASP N N 173 123.993 123.993 121.590 2.403 25489 426 1 . 1 1 173 173 ASP HA H 173 3.896 3.896 5.108 -1.212 25489 427 1 . 1 1 173 173 ASP H H 173 7.915 7.915 8.846 -0.931 25489 428 1 . 1 1 174 174 GLU N N 174 132.684 132.684 125.865 6.819 25489 429 1 . 1 1 174 174 GLU H H 174 9.461 9.461 8.596 0.865 25489 430 1 . 1 1 175 175 ASP N N 175 117.313 117.313 118.400 -1.087 25489 431 1 . 1 1 175 175 ASP HA H 175 4.797 4.797 4.558 0.239 25489 432 1 . 1 1 175 175 ASP H H 175 8.756 8.756 8.296 0.460 25489 433 1 . 1 1 176 176 GLU N N 176 116.511 116.511 119.375 -2.864 25489 434 1 . 1 1 176 176 GLU H H 176 7.154 7.154 7.928 -0.774 25489 435 1 . 1 1 177 177 ARG N N 177 121.920 121.920 123.426 -1.506 25489 436 1 . 1 1 177 177 ARG HA H 177 4.625 4.625 4.462 0.163 25489 437 1 . 1 1 177 177 ARG H H 177 7.555 7.555 8.267 -0.712 25489 438 1 . 1 1 178 178 TRP N N 178 129.182 129.182 126.728 2.454 25489 439 1 . 1 1 178 178 TRP HA H 178 5.113 5.113 5.468 -0.355 25489 440 1 . 1 1 178 178 TRP H H 178 8.788 8.788 8.594 0.194 25489 441 1 . 1 1 179 179 THR N N 179 112.874 112.874 114.526 -1.652 25489 442 1 . 1 1 179 179 THR HA H 179 5.015 5.015 4.733 0.282 25489 443 1 . 1 1 179 179 THR H H 179 8.946 8.946 8.715 0.231 25489 444 1 . 1 1 180 180 ASP N N 180 121.969 121.969 123.948 -1.979 25489 445 1 . 1 1 180 180 ASP HA H 180 4.422 4.422 4.829 -0.407 25489 446 1 . 1 1 180 180 ASP H H 180 8.478 8.478 8.668 -0.190 25489 447 1 . 1 1 181 181 GLY N N 181 110.059 110.059 108.111 1.948 25489 448 1 . 1 1 181 181 GLY H H 181 8.572 8.572 8.309 0.263 25489 449 1 . 1 1 182 182 SER N N 182 115.564 115.564 116.437 -0.873 25489 450 1 . 1 1 182 182 SER HA H 182 4.599 4.599 4.497 0.102 25489 451 1 . 1 1 182 182 SER H H 182 8.173 8.173 7.983 0.190 25489 452 1 . 1 1 183 183 SER N N 183 117.066 117.066 114.112 2.954 25489 453 1 . 1 1 183 183 SER H H 183 7.819 7.819 8.314 -0.495 25489 454 1 . 1 1 184 184 LEU N N 184 121.954 121.954 121.900 0.054 25489 455 1 . 1 1 184 184 LEU HA H 184 4.362 4.362 4.362 -0.000 25489 456 1 . 1 1 184 184 LEU H H 184 8.104 8.104 7.697 0.407 25489 457 1 . 1 1 185 185 GLY N N 185 108.989 108.989 105.876 3.113 25489 458 1 . 1 1 185 185 GLY H H 185 7.954 7.954 7.353 0.601 25489 459 1 . 1 1 186 186 ILE N N 186 123.084 123.084 121.008 2.076 25489 460 1 . 1 1 186 186 ILE HA H 186 3.779 3.779 3.738 0.041 25489 461 1 . 1 1 186 186 ILE H H 186 8.878 8.878 8.170 0.708 25489 462 1 . 1 1 187 187 ASN N N 187 126.999 126.999 124.919 2.080 25489 463 1 . 1 1 187 187 ASN HA H 187 4.396 4.396 4.777 -0.381 25489 464 1 . 1 1 187 187 ASN H H 187 8.575 8.575 7.881 0.694 25489 465 1 . 1 1 188 188 PHE N N 188 129.819 129.819 128.152 1.667 25489 466 1 . 1 1 188 188 PHE HA H 188 4.591 4.591 4.478 0.113 25489 467 1 . 1 1 188 188 PHE H H 188 9.365 9.365 8.684 0.681 25489 468 1 . 1 1 189 189 LEU N N 189 119.292 119.292 121.075 -1.783 25489 469 1 . 1 1 189 189 LEU HA H 189 3.833 3.833 3.631 0.201 25489 470 1 . 1 1 189 189 LEU H H 189 8.551 8.551 8.197 0.354 25489 471 1 . 1 1 191 191 ALA N N 191 120.347 120.347 120.292 0.055 25489 472 1 . 1 1 191 191 ALA HA H 191 4.297 4.297 4.338 -0.041 25489 473 1 . 1 1 191 191 ALA H H 191 7.973 7.973 7.767 0.206 25489 474 1 . 1 1 192 192 ALA N N 192 121.365 121.365 121.147 0.218 25489 475 1 . 1 1 192 192 ALA HA H 192 4.017 4.017 3.940 0.077 25489 476 1 . 1 1 192 192 ALA H H 192 9.258 9.258 8.068 1.190 25489 477 1 . 1 1 193 193 THR N N 193 117.027 117.027 112.829 4.198 25489 478 1 . 1 1 193 193 THR HA H 193 3.825 3.825 3.670 0.155 25489 479 1 . 1 1 193 193 THR H H 193 8.209 8.209 7.710 0.499 25489 480 1 . 1 1 194 194 HIS N N 194 120.231 120.231 122.530 -2.299 25489 481 1 . 1 1 194 194 HIS HA H 194 4.233 4.233 4.294 -0.061 25489 482 1 . 1 1 194 194 HIS H H 194 7.805 7.805 7.897 -0.092 25489 483 1 . 1 1 195 195 ALA N N 195 121.346 121.346 120.357 0.989 25489 484 1 . 1 1 195 195 ALA HA H 195 4.180 4.180 4.224 -0.044 25489 485 1 . 1 1 195 195 ALA H H 195 8.693 8.693 7.874 0.819 25489 486 1 . 1 1 196 196 LEU N N 196 114.951 114.951 117.008 -2.057 25489 487 1 . 1 1 196 196 LEU HA H 196 4.158 4.158 4.328 -0.170 25489 488 1 . 1 1 196 196 LEU H H 196 8.714 8.714 7.822 0.892 25489 489 1 . 1 1 197 197 GLY N N 197 107.954 107.954 106.835 1.119 25489 490 1 . 1 1 197 197 GLY H H 197 7.540 7.540 7.930 -0.390 25489 491 1 . 1 1 198 198 HIS N N 198 121.996 121.996 119.454 2.542 25489 492 1 . 1 1 198 198 HIS HA H 198 4.809 4.809 4.516 0.293 25489 493 1 . 1 1 198 198 HIS H H 198 7.205 7.205 7.318 -0.113 25489 494 1 . 1 1 199 199 SER N N 199 118.570 118.570 114.902 3.668 25489 495 1 . 1 1 199 199 SER HA H 199 4.448 4.448 4.340 0.108 25489 496 1 . 1 1 199 199 SER H H 199 7.886 7.886 8.164 -0.278 25489 497 1 . 1 1 200 200 LEU N N 200 114.779 114.779 119.134 -4.355 25489 498 1 . 1 1 200 200 LEU H H 200 7.106 7.106 7.646 -0.540 25489 499 1 . 1 1 201 201 GLY N N 201 108.350 108.350 104.929 3.421 25489 500 1 . 1 1 201 201 GLY H H 201 8.213 8.213 7.569 0.644 25489 501 1 . 1 1 202 202 MET N N 202 119.623 119.623 119.838 -0.215 25489 502 1 . 1 1 202 202 MET HA H 202 4.484 4.484 4.346 0.138 25489 503 1 . 1 1 202 202 MET H H 202 8.189 8.189 7.822 0.367 25489 504 1 . 1 1 203 203 GLY N N 203 109.770 109.770 107.270 2.500 25489 505 1 . 1 1 203 203 GLY H H 203 8.413 8.413 8.226 0.187 25489 506 1 . 1 1 204 204 HIS N N 204 115.793 115.793 116.733 -0.940 25489 507 1 . 1 1 204 204 HIS HA H 204 5.374 5.374 4.897 0.477 25489 508 1 . 1 1 204 204 HIS H H 204 8.383 8.383 8.266 0.117 25489 509 1 . 1 1 205 205 SER N N 205 115.497 115.497 114.480 1.017 25489 510 1 . 1 1 205 205 SER HA H 205 4.721 4.721 4.744 -0.023 25489 511 1 . 1 1 205 205 SER H H 205 7.223 7.223 8.320 -1.097 25489 512 1 . 1 1 206 206 SER N N 206 119.268 119.268 117.067 2.201 25489 513 1 . 1 1 206 206 SER HA H 206 3.721 3.721 4.495 -0.775 25489 514 1 . 1 1 206 206 SER H H 206 8.290 8.290 8.694 -0.404 25489 515 1 . 1 1 207 207 ASP N N 207 126.656 126.656 122.081 4.575 25489 516 1 . 1 1 207 207 ASP H H 207 8.541 8.541 7.797 0.744 25489 517 1 . 1 1 209 209 ASN N N 209 115.911 115.911 115.471 0.440 25489 518 1 . 1 1 209 209 ASN HA H 209 4.616 4.616 4.751 -0.135 25489 519 1 . 1 1 209 209 ASN H H 209 8.374 8.374 8.214 0.160 25489 520 1 . 1 1 210 210 ALA N N 210 124.929 124.929 122.330 2.599 25489 521 1 . 1 1 210 210 ALA HA H 210 4.154 4.154 4.540 -0.386 25489 522 1 . 1 1 210 210 ALA H H 210 8.182 8.182 7.436 0.746 25489 523 1 . 1 1 211 211 VAL N N 211 130.383 130.383 123.612 6.771 25489 524 1 . 1 1 211 211 VAL HA H 211 4.250 4.250 3.627 0.623 25489 525 1 . 1 1 211 211 VAL H H 211 11.554 11.554 9.207 2.347 25489 526 1 . 1 1 212 212 MET N N 212 113.319 113.319 115.758 -2.439 25489 527 1 . 1 1 212 212 MET H H 212 7.741 7.741 8.454 -0.713 25489 528 1 . 1 1 213 213 TYR N N 213 130.006 130.006 123.060 6.946 25489 529 1 . 1 1 213 213 TYR H H 213 7.899 7.899 7.552 0.347 25489 530 1 . 1 1 215 215 THR N N 215 104.747 104.747 109.333 -4.586 25489 531 1 . 1 1 215 215 THR HA H 215 4.404 4.404 4.522 -0.118 25489 532 1 . 1 1 215 215 THR H H 215 6.402 6.402 7.274 -0.872 25489 533 1 . 1 1 216 216 TYR N N 216 124.699 124.699 124.086 0.613 25489 534 1 . 1 1 216 216 TYR H H 216 8.341 8.341 8.723 -0.382 25489 535 1 . 1 1 217 217 GLY N N 217 116.288 116.288 112.832 3.456 25489 536 1 . 1 1 217 217 GLY H H 217 7.685 7.685 7.606 0.079 25489 537 1 . 1 1 218 218 ASN N N 218 119.920 119.920 117.033 2.887 25489 538 1 . 1 1 218 218 ASN HA H 218 4.620 4.620 4.368 0.252 25489 539 1 . 1 1 218 218 ASN H H 218 8.221 8.221 8.558 -0.337 25489 540 1 . 1 1 219 219 GLY N N 219 109.601 109.601 108.225 1.376 25489 541 1 . 1 1 219 219 GLY H H 219 8.072 8.072 7.603 0.469 25489 542 1 . 1 1 220 220 ASP N N 220 123.006 123.006 122.827 0.179 25489 543 1 . 1 1 220 220 ASP H H 220 8.280 8.280 8.276 0.004 25489 544 1 . 1 1 222 222 GLN N N 222 116.642 116.642 123.208 -6.566 25489 545 1 . 1 1 222 222 GLN H H 222 8.215 8.215 8.697 -0.482 25489 546 1 . 1 1 223 223 ASN N N 223 118.361 118.361 115.378 2.983 25489 547 1 . 1 1 223 223 ASN H H 223 7.970 7.970 8.107 -0.137 25489 548 1 . 1 1 225 225 LYS N N 225 122.215 122.215 125.657 -3.442 25489 549 1 . 1 1 225 225 LYS HA H 225 4.416 4.416 4.608 -0.192 25489 550 1 . 1 1 225 225 LYS H H 225 7.656 7.656 7.861 -0.205 25489 551 1 . 1 1 226 226 LEU N N 226 119.165 119.165 122.689 -3.524 25489 552 1 . 1 1 226 226 LEU HA H 226 4.088 4.088 4.528 -0.440 25489 553 1 . 1 1 226 226 LEU H H 226 7.984 7.984 8.443 -0.459 25489 554 1 . 1 1 227 227 SER N N 227 120.520 120.520 118.280 2.240 25489 555 1 . 1 1 227 227 SER HA H 227 4.676 4.676 4.637 0.039 25489 556 1 . 1 1 227 227 SER H H 227 9.646 9.646 9.302 0.344 25489 557 1 . 1 1 228 228 GLN HA H 228 4.674 4.674 4.112 0.562 25489 558 1 . 1 1 229 229 ASP HA H 229 4.374 4.374 4.515 -0.141 25489 559 1 . 1 1 229 229 ASP H H 229 8.113 8.113 8.146 -0.033 25489 560 1 . 1 1 230 230 ASP N N 230 119.878 119.878 120.362 -0.484 25489 561 1 . 1 1 230 230 ASP HA H 230 4.338 4.338 4.503 -0.165 25489 562 1 . 1 1 230 230 ASP H H 230 7.397 7.397 7.746 -0.349 25489 563 1 . 1 1 231 231 ILE N N 231 120.389 120.389 120.115 0.275 25489 564 1 . 1 1 231 231 ILE HA H 231 3.655 3.655 3.719 -0.064 25489 565 1 . 1 1 231 231 ILE H H 231 8.100 8.100 7.834 0.266 25489 566 1 . 1 1 232 232 LYS N N 232 119.084 119.084 119.192 -0.108 25489 567 1 . 1 1 232 232 LYS HA H 232 4.095 4.095 4.076 0.019 25489 568 1 . 1 1 232 232 LYS H H 232 8.581 8.581 7.892 0.689 25489 569 1 . 1 1 233 233 GLY N N 233 106.424 106.424 106.015 0.409 25489 570 1 . 1 1 233 233 GLY H H 233 8.061 8.061 7.698 0.363 25489 571 1 . 1 1 234 234 ILE N N 234 125.166 125.166 122.251 2.915 25489 572 1 . 1 1 234 234 ILE H H 234 8.517 8.517 7.379 1.138 25489 573 1 . 1 1 235 235 GLN N N 235 122.969 122.969 119.040 3.929 25489 574 1 . 1 1 235 235 GLN HA H 235 4.381 4.381 3.667 0.714 25489 575 1 . 1 1 235 235 GLN H H 235 8.291 8.291 8.201 0.090 25489 576 1 . 1 1 236 236 LYS N N 236 123.770 123.770 119.272 4.498 25489 577 1 . 1 1 236 236 LYS H H 236 8.035 8.035 7.634 0.401 25489 578 1 . 1 1 237 237 LEU N N 237 116.854 116.854 119.330 -2.476 25489 579 1 . 1 1 237 237 LEU HA H 237 3.959 3.959 4.105 -0.146 25489 580 1 . 1 1 237 237 LEU H H 237 6.886 6.886 7.424 -0.538 25489 581 1 . 1 1 238 238 TYR N N 238 112.132 112.132 114.888 -2.756 25489 582 1 . 1 1 238 238 TYR HA H 238 4.626 4.626 4.692 -0.066 25489 583 1 . 1 1 238 238 TYR H H 238 7.459 7.459 7.314 0.146 25489 584 1 . 1 1 239 239 GLY N N 239 110.898 110.898 108.700 2.199 25489 585 1 . 1 1 239 239 GLY H H 239 8.442 8.442 7.459 0.983 25489 586 1 . 1 1 240 240 LYS N N 240 114.400 114.400 121.324 -6.924 25489 587 1 . 1 1 240 240 LYS HA H 240 4.804 4.804 4.431 0.373 25489 588 1 . 1 1 240 240 LYS H H 240 7.865 7.865 8.402 -0.537 25489 589 1 . 1 1 241 241 ARG N N 241 123.851 123.851 123.222 0.629 25489 590 1 . 1 1 241 241 ARG H H 241 7.760 7.760 8.601 -0.841 25489 591 1 . 1 1 242 242 SER N N 242 135.647 135.647 117.167 18.480 25489 592 1 . 1 1 242 242 SER H H 242 9.158 9.158 8.486 0.672 25489 stop_ save_