data_25069 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25069 _Entry.PDB_ID 2MRD 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 25069 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.419 -0.210 25069 2 1 1 . 1 1 2 2 ALA C C 2 173.983 173.983 176.184 -2.201 25069 3 1 1 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.639 -0.037 25069 4 1 1 . 1 1 2 2 ALA CB C 2 19.876 19.876 19.188 0.688 25069 5 1 1 . 1 1 3 3 SER N N 3 121.630 121.630 116.421 5.209 25069 6 1 1 . 1 1 3 3 SER C C 3 172.689 172.689 174.632 -1.943 25069 7 1 1 . 1 1 3 3 SER CA C 3 56.943 56.943 58.482 -1.539 25069 8 1 1 . 1 1 3 3 SER CB C 3 63.102 63.102 61.894 1.208 25069 9 1 1 . 1 1 3 3 SER H H 3 9.907 9.907 8.346 1.561 25069 10 1 1 . 1 1 4 4 PRO C C 4 179.695 179.695 178.059 1.636 25069 11 1 1 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.424 0.310 25069 12 1 1 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.435 0.345 25069 13 1 1 . 1 1 5 5 LEU N N 5 118.522 118.522 117.893 0.629 25069 14 1 1 . 1 1 5 5 LEU HA H 5 4.031 4.031 4.051 -0.020 25069 15 1 1 . 1 1 5 5 LEU C C 5 177.968 177.968 178.398 -0.430 25069 16 1 1 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.511 0.137 25069 17 1 1 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.998 0.637 25069 18 1 1 . 1 1 5 5 LEU H H 5 8.277 8.277 7.391 0.886 25069 19 1 1 . 1 1 6 6 GLU N N 6 118.997 118.997 119.714 -0.717 25069 20 1 1 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.929 -0.233 25069 21 1 1 . 1 1 6 6 GLU C C 6 180.177 180.177 178.826 1.351 25069 22 1 1 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.934 0.405 25069 23 1 1 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.376 0.458 25069 24 1 1 . 1 1 6 6 GLU H H 6 8.130 8.130 8.656 -0.526 25069 25 1 1 . 1 1 7 7 LYS N N 7 117.838 117.838 117.582 0.256 25069 26 1 1 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.126 -0.130 25069 27 1 1 . 1 1 7 7 LYS C C 7 178.764 178.764 178.847 -0.083 25069 28 1 1 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.148 1.208 25069 29 1 1 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.688 0.471 25069 30 1 1 . 1 1 7 7 LYS H H 7 8.341 8.341 7.944 0.397 25069 31 1 1 . 1 1 8 8 ALA N N 8 122.327 122.327 121.976 0.351 25069 32 1 1 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.199 -0.220 25069 33 1 1 . 1 1 8 8 ALA C C 8 179.482 179.482 179.391 0.091 25069 34 1 1 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.532 0.636 25069 35 1 1 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.220 0.074 25069 36 1 1 . 1 1 8 8 ALA H H 8 8.082 8.082 7.784 0.298 25069 37 1 1 . 1 1 9 9 LEU N N 9 118.212 118.212 118.360 -0.148 25069 38 1 1 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.932 0.015 25069 39 1 1 . 1 1 9 9 LEU C C 9 178.844 178.844 178.514 0.330 25069 40 1 1 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.448 0.761 25069 41 1 1 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.000 0.616 25069 42 1 1 . 1 1 9 9 LEU H H 9 8.042 8.042 7.881 0.161 25069 43 1 1 . 1 1 10 10 ASP N N 10 117.997 117.997 119.969 -1.972 25069 44 1 1 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.424 -0.037 25069 45 1 1 . 1 1 10 10 ASP C C 10 179.582 179.582 178.658 0.924 25069 46 1 1 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.791 -0.021 25069 47 1 1 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.191 -0.197 25069 48 1 1 . 1 1 10 10 ASP H H 10 7.587 7.587 7.724 -0.137 25069 49 1 1 . 1 1 11 11 VAL N N 11 120.702 120.702 119.271 1.431 25069 50 1 1 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.849 -0.112 25069 51 1 1 . 1 1 11 11 VAL C C 11 180.061 180.061 178.077 1.984 25069 52 1 1 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.661 0.483 25069 53 1 1 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.598 0.028 25069 54 1 1 . 1 1 11 11 VAL H H 11 8.099 8.099 7.597 0.502 25069 55 1 1 . 1 1 12 12 MET N N 12 123.185 123.185 119.493 3.692 25069 56 1 1 . 1 1 12 12 MET HA H 12 3.921 3.921 4.469 -0.548 25069 57 1 1 . 1 1 12 12 MET C C 12 178.871 178.871 178.011 0.860 25069 58 1 1 . 1 1 12 12 MET CA C 12 60.784 60.784 58.933 1.851 25069 59 1 1 . 1 1 12 12 MET CB C 12 32.579 32.579 32.512 0.067 25069 60 1 1 . 1 1 12 12 MET H H 12 8.454 8.454 7.840 0.614 25069 61 1 1 . 1 1 13 13 VAL N N 13 118.900 118.900 120.680 -1.780 25069 62 1 1 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.833 0.092 25069 63 1 1 . 1 1 13 13 VAL C C 13 177.712 177.712 178.319 -0.607 25069 64 1 1 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.237 0.443 25069 65 1 1 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.708 2.539 25069 66 1 1 . 1 1 13 13 VAL H H 13 8.117 8.117 7.734 0.383 25069 67 1 1 . 1 1 14 14 SER N N 14 114.675 114.675 115.331 -0.656 25069 68 1 1 . 1 1 14 14 SER HA H 14 3.966 3.966 3.833 0.133 25069 69 1 1 . 1 1 14 14 SER C C 14 178.306 178.306 176.394 1.912 25069 70 1 1 . 1 1 14 14 SER CA C 14 61.937 61.937 60.792 1.145 25069 71 1 1 . 1 1 14 14 SER CB C 14 62.474 62.474 62.940 -0.466 25069 72 1 1 . 1 1 14 14 SER H H 14 8.935 8.935 7.723 1.212 25069 73 1 1 . 1 1 15 15 THR N N 15 117.582 117.582 119.091 -1.509 25069 74 1 1 . 1 1 15 15 THR HA H 15 4.190 4.190 3.967 0.223 25069 75 1 1 . 1 1 15 15 THR C C 15 174.459 174.459 175.723 -1.264 25069 76 1 1 . 1 1 15 15 THR CA C 15 67.683 67.683 66.555 1.129 25069 77 1 1 . 1 1 15 15 THR CB C 15 68.187 68.187 68.611 -0.424 25069 78 1 1 . 1 1 15 15 THR H H 15 8.543 8.543 8.162 0.381 25069 79 1 1 . 1 1 16 16 PHE N N 16 118.606 118.606 122.109 -3.503 25069 80 1 1 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.557 -0.188 25069 81 1 1 . 1 1 16 16 PHE C C 16 176.480 176.480 176.369 0.111 25069 82 1 1 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.692 0.789 25069 83 1 1 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.311 0.925 25069 84 1 1 . 1 1 16 16 PHE H H 16 6.809 6.809 7.616 -0.807 25069 85 1 1 . 1 1 17 17 HIS N N 17 114.536 114.536 116.543 -2.007 25069 86 1 1 . 1 1 17 17 HIS HA H 17 4.726 4.726 3.969 0.757 25069 87 1 1 . 1 1 17 17 HIS C C 17 177.124 177.124 177.555 -0.431 25069 88 1 1 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.969 -0.242 25069 89 1 1 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.308 0.840 25069 90 1 1 . 1 1 17 17 HIS H H 17 6.955 6.955 7.822 -0.867 25069 91 1 1 . 1 1 18 18 LYS N N 18 120.739 120.739 120.817 -0.078 25069 92 1 1 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.060 -0.342 25069 93 1 1 . 1 1 18 18 LYS C C 18 177.006 177.006 177.713 -0.707 25069 94 1 1 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.931 -0.063 25069 95 1 1 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.091 0.023 25069 96 1 1 . 1 1 18 18 LYS H H 18 7.820 7.820 7.497 0.323 25069 97 1 1 . 1 1 19 19 TYR N N 19 112.545 112.545 117.539 -4.994 25069 98 1 1 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.294 -0.155 25069 99 1 1 . 1 1 19 19 TYR C C 19 176.218 176.218 177.914 -1.696 25069 100 1 1 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.949 -1.051 25069 101 1 1 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.179 1.278 25069 102 1 1 . 1 1 19 19 TYR H H 19 6.730 6.730 7.571 -0.841 25069 103 1 1 . 1 1 20 20 SER N N 20 113.404 113.404 115.745 -2.341 25069 104 1 1 . 1 1 20 20 SER HA H 20 3.385 3.385 3.890 -0.505 25069 105 1 1 . 1 1 20 20 SER C C 20 176.961 176.961 176.139 0.822 25069 106 1 1 . 1 1 20 20 SER CA C 20 61.866 61.866 62.103 -0.237 25069 107 1 1 . 1 1 20 20 SER CB C 20 60.904 60.904 62.764 -1.860 25069 108 1 1 . 1 1 20 20 SER H H 20 8.493 8.493 8.241 0.252 25069 109 1 1 . 1 1 21 21 GLY N N 21 109.001 109.001 105.630 3.371 25069 110 1 1 . 1 1 21 21 GLY C C 21 173.502 173.502 174.133 -0.631 25069 111 1 1 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.718 0.821 25069 112 1 1 . 1 1 21 21 GLY H H 21 7.512 7.512 7.623 -0.111 25069 113 1 1 . 1 1 22 22 LYS N N 22 120.754 120.754 118.482 2.272 25069 114 1 1 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.294 -0.499 25069 115 1 1 . 1 1 22 22 LYS C C 22 177.354 177.354 176.412 0.942 25069 116 1 1 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.071 2.936 25069 117 1 1 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.549 -0.566 25069 118 1 1 . 1 1 22 22 LYS H H 22 6.958 6.958 7.729 -0.771 25069 119 1 1 . 1 1 23 23 GLU N N 23 115.305 115.305 117.363 -2.058 25069 120 1 1 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.446 0.012 25069 121 1 1 . 1 1 23 23 GLU C C 23 176.733 176.733 175.623 1.110 25069 122 1 1 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.279 -0.844 25069 123 1 1 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.906 2.448 25069 124 1 1 . 1 1 23 23 GLU H H 23 9.425 9.425 7.655 1.770 25069 125 1 1 . 1 1 24 24 GLY N N 24 112.542 112.542 113.502 -0.960 25069 126 1 1 . 1 1 24 24 GLY C C 24 173.486 173.486 173.624 -0.138 25069 127 1 1 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.003 1.339 25069 128 1 1 . 1 1 24 24 GLY H H 24 8.879 8.879 8.363 0.516 25069 129 1 1 . 1 1 25 25 ASP N N 25 125.117 125.117 123.539 1.578 25069 130 1 1 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.767 -0.484 25069 131 1 1 . 1 1 25 25 ASP C C 25 179.177 179.177 176.204 2.973 25069 132 1 1 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.684 1.430 25069 133 1 1 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.269 -0.533 25069 134 1 1 . 1 1 25 25 ASP H H 25 8.423 8.423 8.468 -0.045 25069 135 1 1 . 1 1 26 26 LYS N N 26 131.175 131.175 120.458 10.717 25069 136 1 1 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.361 -0.165 25069 137 1 1 . 1 1 26 26 LYS C C 26 176.638 176.638 176.228 0.410 25069 138 1 1 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.444 1.524 25069 139 1 1 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.694 -1.471 25069 140 1 1 . 1 1 26 26 LYS H H 26 9.247 9.247 8.708 0.539 25069 141 1 1 . 1 1 27 27 PHE N N 27 118.593 118.593 116.794 1.799 25069 142 1 1 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.988 -0.289 25069 143 1 1 . 1 1 27 27 PHE C C 27 173.452 173.452 174.206 -0.754 25069 144 1 1 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.829 -1.797 25069 145 1 1 . 1 1 27 27 PHE CB C 27 39.091 39.091 41.109 -2.018 25069 146 1 1 . 1 1 27 27 PHE H H 27 9.335 9.335 8.599 0.736 25069 147 1 1 . 1 1 28 28 LYS N N 28 113.854 113.854 118.952 -5.098 25069 148 1 1 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.336 -0.332 25069 149 1 1 . 1 1 28 28 LYS C C 28 174.468 174.468 175.183 -0.715 25069 150 1 1 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.923 0.364 25069 151 1 1 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.431 1.587 25069 152 1 1 . 1 1 28 28 LYS H H 28 6.985 6.985 7.539 -0.554 25069 153 1 1 . 1 1 29 29 LEU N N 29 124.858 124.858 124.868 -0.010 25069 154 1 1 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.516 0.497 25069 155 1 1 . 1 1 29 29 LEU C C 29 175.791 175.791 176.158 -0.367 25069 156 1 1 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.697 -1.098 25069 157 1 1 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.058 1.499 25069 158 1 1 . 1 1 29 29 LEU H H 29 9.454 9.454 9.074 0.380 25069 159 1 1 . 1 1 30 30 ASN N N 30 122.896 122.896 122.238 0.658 25069 160 1 1 . 1 1 30 30 ASN HA H 30 4.578 4.578 4.998 -0.420 25069 161 1 1 . 1 1 30 30 ASN C C 30 174.969 174.969 176.565 -1.596 25069 162 1 1 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.318 -1.220 25069 163 1 1 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.559 -2.201 25069 164 1 1 . 1 1 30 30 ASN H H 30 9.560 9.560 8.264 1.296 25069 165 1 1 . 1 1 31 31 LYS N N 31 115.136 115.136 120.321 -5.185 25069 166 1 1 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.839 0.031 25069 167 1 1 . 1 1 31 31 LYS C C 31 177.992 177.992 178.374 -0.382 25069 168 1 1 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.814 0.221 25069 169 1 1 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.814 0.391 25069 170 1 1 . 1 1 31 31 LYS H H 31 8.204 8.204 8.886 -0.682 25069 171 1 1 . 1 1 32 32 SER N N 32 113.755 113.755 114.374 -0.619 25069 172 1 1 . 1 1 32 32 SER HA H 32 3.939 3.939 4.083 -0.144 25069 173 1 1 . 1 1 32 32 SER C C 32 177.484 177.484 176.533 0.951 25069 174 1 1 . 1 1 32 32 SER CA C 32 61.374 61.374 61.711 -0.337 25069 175 1 1 . 1 1 32 32 SER CB C 32 62.733 62.733 62.724 0.009 25069 176 1 1 . 1 1 32 32 SER H H 32 7.575 7.575 8.235 -0.660 25069 177 1 1 . 1 1 33 33 GLU N N 33 122.657 122.657 121.597 1.060 25069 178 1 1 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.169 -0.256 25069 179 1 1 . 1 1 33 33 GLU C C 33 178.560 178.560 179.258 -0.698 25069 180 1 1 . 1 1 33 33 GLU CA C 33 58.842 58.842 57.823 1.019 25069 181 1 1 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.083 2.116 25069 182 1 1 . 1 1 33 33 GLU H H 33 8.608 8.608 7.783 0.825 25069 183 1 1 . 1 1 34 34 LEU N N 34 117.375 117.375 122.843 -5.468 25069 184 1 1 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.863 -0.058 25069 185 1 1 . 1 1 34 34 LEU C C 34 177.693 177.693 178.085 -0.392 25069 186 1 1 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.493 -0.717 25069 187 1 1 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.750 -0.053 25069 188 1 1 . 1 1 34 34 LEU H H 34 8.859 8.859 8.800 0.059 25069 189 1 1 . 1 1 35 35 LYS N N 35 117.418 117.418 118.863 -1.445 25069 190 1 1 . 1 1 35 35 LYS HA H 35 3.526 3.526 2.736 0.790 25069 191 1 1 . 1 1 35 35 LYS C C 35 179.129 179.129 178.629 0.500 25069 192 1 1 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.096 0.070 25069 193 1 1 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.573 0.186 25069 194 1 1 . 1 1 35 35 LYS H H 35 7.901 7.901 8.208 -0.307 25069 195 1 1 . 1 1 36 36 GLU N N 36 120.491 120.491 119.511 0.980 25069 196 1 1 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.021 -0.302 25069 197 1 1 . 1 1 36 36 GLU C C 36 176.354 176.354 179.248 -2.894 25069 198 1 1 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.145 0.824 25069 199 1 1 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.707 -0.314 25069 200 1 1 . 1 1 36 36 GLU H H 36 7.619 7.619 7.540 0.079 25069 201 1 1 . 1 1 37 37 LEU N N 37 120.058 120.058 120.867 -0.809 25069 202 1 1 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.887 -0.462 25069 203 1 1 . 1 1 37 37 LEU C C 37 179.412 179.412 178.857 0.555 25069 204 1 1 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.455 1.982 25069 205 1 1 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.703 0.101 25069 206 1 1 . 1 1 37 37 LEU H H 37 7.762 7.762 8.168 -0.406 25069 207 1 1 . 1 1 38 38 LEU N N 38 116.987 116.987 119.850 -2.863 25069 208 1 1 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.111 -0.446 25069 209 1 1 . 1 1 38 38 LEU C C 38 178.279 178.279 179.637 -1.358 25069 210 1 1 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.523 0.155 25069 211 1 1 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.797 1.517 25069 212 1 1 . 1 1 38 38 LEU H H 38 8.532 8.532 8.741 -0.209 25069 213 1 1 . 1 1 39 39 THR N N 39 108.650 108.650 112.479 -3.829 25069 214 1 1 . 1 1 39 39 THR HA H 39 3.693 3.693 4.028 -0.335 25069 215 1 1 . 1 1 39 39 THR C C 39 176.231 176.231 176.967 -0.736 25069 216 1 1 . 1 1 39 39 THR CA C 39 65.997 65.997 66.526 -0.529 25069 217 1 1 . 1 1 39 39 THR CB C 39 69.618 69.618 68.440 1.178 25069 218 1 1 . 1 1 39 39 THR H H 39 7.883 7.883 8.674 -0.791 25069 219 1 1 . 1 1 40 40 ARG N N 40 115.482 115.482 119.541 -4.059 25069 220 1 1 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.303 -0.151 25069 221 1 1 . 1 1 40 40 ARG C C 40 178.520 178.520 178.590 -0.070 25069 222 1 1 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.133 -0.098 25069 223 1 1 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.816 0.430 25069 224 1 1 . 1 1 40 40 ARG H H 40 8.015 8.015 8.036 -0.021 25069 225 1 1 . 1 1 41 41 GLU N N 41 112.106 112.106 116.206 -4.100 25069 226 1 1 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.471 0.363 25069 227 1 1 . 1 1 41 41 GLU C C 41 177.856 177.856 176.835 1.021 25069 228 1 1 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.206 -1.008 25069 229 1 1 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.686 -0.365 25069 230 1 1 . 1 1 41 41 GLU H H 41 8.463 8.463 8.346 0.117 25069 231 1 1 . 1 1 42 42 LEU N N 42 119.287 119.287 121.800 -2.513 25069 232 1 1 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.938 0.114 25069 233 1 1 . 1 1 42 42 LEU C C 42 174.457 174.457 174.696 -0.239 25069 234 1 1 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.402 0.436 25069 235 1 1 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.296 1.787 25069 236 1 1 . 1 1 42 42 LEU H H 42 7.688 7.688 7.977 -0.289 25069 237 1 1 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.262 -0.058 25069 238 1 1 . 1 1 43 43 PRO C C 43 179.969 179.969 178.739 1.230 25069 239 1 1 . 1 1 43 43 PRO CA C 43 65.689 65.689 66.181 -0.492 25069 240 1 1 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.949 -1.122 25069 241 1 1 . 1 1 44 44 SER N N 44 114.352 114.352 112.430 1.922 25069 242 1 1 . 1 1 44 44 SER HA H 44 4.093 4.093 4.244 -0.151 25069 243 1 1 . 1 1 44 44 SER C C 44 175.709 175.709 176.245 -0.536 25069 244 1 1 . 1 1 44 44 SER CA C 44 60.793 60.793 60.862 -0.069 25069 245 1 1 . 1 1 44 44 SER CB C 44 62.400 62.400 62.842 -0.442 25069 246 1 1 . 1 1 44 44 SER H H 44 8.674 8.674 8.452 0.222 25069 247 1 1 . 1 1 45 45 PHE N N 45 121.558 121.558 121.142 0.416 25069 248 1 1 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.330 -0.178 25069 249 1 1 . 1 1 45 45 PHE C C 45 176.441 176.441 176.490 -0.049 25069 250 1 1 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.686 -0.352 25069 251 1 1 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.259 0.530 25069 252 1 1 . 1 1 45 45 PHE H H 45 7.952 7.952 8.143 -0.191 25069 253 1 1 . 1 1 46 46 LEU N N 46 117.590 117.590 117.303 0.287 25069 254 1 1 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.430 -0.594 25069 255 1 1 . 1 1 46 46 LEU C C 46 178.236 178.236 179.212 -0.976 25069 256 1 1 . 1 1 46 46 LEU CA C 46 56.144 56.144 55.766 0.378 25069 257 1 1 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.531 -0.015 25069 258 1 1 . 1 1 46 46 LEU H H 46 7.906 7.906 8.439 -0.533 25069 259 1 1 . 1 1 47 47 GLY N N 47 104.817 104.817 107.729 -2.912 25069 260 1 1 . 1 1 47 47 GLY C C 47 174.665 174.665 175.609 -0.944 25069 261 1 1 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.572 -0.587 25069 262 1 1 . 1 1 47 47 GLY H H 47 7.646 7.646 8.206 -0.560 25069 263 1 1 . 1 1 48 48 LYS N N 48 120.422 120.422 119.717 0.705 25069 264 1 1 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.068 0.084 25069 265 1 1 . 1 1 48 48 LYS C C 48 177.029 177.029 176.650 0.379 25069 266 1 1 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.345 -0.865 25069 267 1 1 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.965 -0.713 25069 268 1 1 . 1 1 48 48 LYS H H 48 8.400 8.400 7.258 1.142 25069 269 1 1 . 1 1 49 49 ARG N N 49 119.815 119.815 118.948 0.867 25069 270 1 1 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.503 -0.200 25069 271 1 1 . 1 1 49 49 ARG C C 49 175.183 175.183 174.657 0.526 25069 272 1 1 . 1 1 49 49 ARG CA C 49 55.699 55.699 56.109 -0.410 25069 273 1 1 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.099 -1.592 25069 274 1 1 . 1 1 49 49 ARG H H 49 7.801 7.801 7.801 0.000 25069 275 1 1 . 1 1 50 50 THR N N 50 110.525 110.525 115.945 -5.420 25069 276 1 1 . 1 1 50 50 THR HA H 50 4.091 4.091 4.148 -0.057 25069 277 1 1 . 1 1 50 50 THR C C 50 174.108 174.108 173.895 0.213 25069 278 1 1 . 1 1 50 50 THR CA C 50 61.579 61.579 61.111 0.467 25069 279 1 1 . 1 1 50 50 THR CB C 50 69.136 69.136 68.232 0.904 25069 280 1 1 . 1 1 50 50 THR H H 50 7.808 7.808 8.379 -0.571 25069 281 1 1 . 1 1 51 51 ASP N N 51 121.073 121.073 122.601 -1.528 25069 282 1 1 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.811 -0.251 25069 283 1 1 . 1 1 51 51 ASP C C 51 175.715 175.715 177.028 -1.313 25069 284 1 1 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.367 -0.313 25069 285 1 1 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.629 -0.818 25069 286 1 1 . 1 1 51 51 ASP H H 51 7.924 7.924 7.346 0.578 25069 287 1 1 . 1 1 52 52 GLU N N 52 120.418 120.418 122.110 -1.692 25069 288 1 1 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.350 -0.308 25069 289 1 1 . 1 1 52 52 GLU C C 52 178.726 178.726 178.580 0.146 25069 290 1 1 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.361 -0.801 25069 291 1 1 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.780 -0.396 25069 292 1 1 . 1 1 52 52 GLU H H 52 8.515 8.515 9.051 -0.536 25069 293 1 1 . 1 1 53 53 ALA N N 53 120.807 120.807 122.113 -1.306 25069 294 1 1 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.124 -0.088 25069 295 1 1 . 1 1 53 53 ALA C C 53 180.416 180.416 179.563 0.853 25069 296 1 1 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.979 0.162 25069 297 1 1 . 1 1 53 53 ALA CB C 53 17.944 17.944 17.919 0.025 25069 298 1 1 . 1 1 53 53 ALA H H 53 8.242 8.242 8.478 -0.236 25069 299 1 1 . 1 1 54 54 ALA N N 54 121.069 121.069 122.075 -1.006 25069 300 1 1 . 1 1 54 54 ALA HA H 54 3.927 3.927 3.994 -0.067 25069 301 1 1 . 1 1 54 54 ALA C C 54 180.846 180.846 179.677 1.169 25069 302 1 1 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.748 0.229 25069 303 1 1 . 1 1 54 54 ALA CB C 54 18.337 18.337 17.968 0.369 25069 304 1 1 . 1 1 54 54 ALA H H 54 7.874 7.874 7.337 0.537 25069 305 1 1 . 1 1 55 55 PHE N N 55 118.066 118.066 118.245 -0.179 25069 306 1 1 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.060 -0.093 25069 307 1 1 . 1 1 55 55 PHE C C 55 177.160 177.160 177.976 -0.816 25069 308 1 1 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.826 0.203 25069 309 1 1 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.111 0.721 25069 310 1 1 . 1 1 55 55 PHE H H 55 8.013 8.013 7.763 0.250 25069 311 1 1 . 1 1 56 56 GLN N N 56 118.474 118.474 119.379 -0.905 25069 312 1 1 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.009 -0.269 25069 313 1 1 . 1 1 56 56 GLN C C 56 178.531 178.531 178.256 0.275 25069 314 1 1 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.105 -0.273 25069 315 1 1 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.262 -0.408 25069 316 1 1 . 1 1 56 56 GLN H H 56 8.265 8.265 8.647 -0.382 25069 317 1 1 . 1 1 57 57 LYS N N 57 119.207 119.207 120.680 -1.473 25069 318 1 1 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.154 -0.301 25069 319 1 1 . 1 1 57 57 LYS C C 57 178.458 178.458 179.648 -1.190 25069 320 1 1 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.730 0.347 25069 321 1 1 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.043 0.091 25069 322 1 1 . 1 1 57 57 LYS H H 57 7.622 7.622 8.252 -0.630 25069 323 1 1 . 1 1 58 58 LEU N N 58 119.398 119.398 122.658 -3.260 25069 324 1 1 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.929 -0.024 25069 325 1 1 . 1 1 58 58 LEU C C 58 178.444 178.444 178.213 0.231 25069 326 1 1 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.898 0.223 25069 327 1 1 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.627 0.027 25069 328 1 1 . 1 1 58 58 LEU H H 58 7.504 7.504 8.468 -0.964 25069 329 1 1 . 1 1 59 59 MET N N 59 116.434 116.434 119.983 -3.549 25069 330 1 1 . 1 1 59 59 MET HA H 59 3.614 3.614 3.919 -0.305 25069 331 1 1 . 1 1 59 59 MET C C 59 177.513 177.513 177.916 -0.403 25069 332 1 1 . 1 1 59 59 MET CA C 59 58.765 58.765 59.581 -0.816 25069 333 1 1 . 1 1 59 59 MET CB C 59 31.060 31.060 32.155 -1.095 25069 334 1 1 . 1 1 59 59 MET H H 59 8.049 8.049 8.804 -0.755 25069 335 1 1 . 1 1 60 60 SER N N 60 111.447 111.447 114.747 -3.300 25069 336 1 1 . 1 1 60 60 SER HA H 60 4.066 4.066 4.147 -0.081 25069 337 1 1 . 1 1 60 60 SER C C 60 175.986 175.986 177.165 -1.179 25069 338 1 1 . 1 1 60 60 SER CA C 60 61.416 61.416 61.139 0.277 25069 339 1 1 . 1 1 60 60 SER CB C 60 62.945 62.945 62.215 0.730 25069 340 1 1 . 1 1 60 60 SER H H 60 7.839 7.839 8.177 -0.338 25069 341 1 1 . 1 1 61 61 ASN N N 61 117.559 117.559 121.087 -3.528 25069 342 1 1 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.562 -0.212 25069 343 1 1 . 1 1 61 61 ASN C C 61 176.377 176.377 176.906 -0.529 25069 344 1 1 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.514 -0.511 25069 345 1 1 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.441 0.431 25069 346 1 1 . 1 1 61 61 ASN H H 61 7.615 7.615 7.775 -0.160 25069 347 1 1 . 1 1 62 62 LEU N N 62 117.926 117.926 117.695 0.231 25069 348 1 1 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.231 -0.203 25069 349 1 1 . 1 1 62 62 LEU C C 62 178.394 178.394 177.755 0.639 25069 350 1 1 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.864 0.133 25069 351 1 1 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.195 1.207 25069 352 1 1 . 1 1 62 62 LEU H H 62 7.719 7.719 8.192 -0.473 25069 353 1 1 . 1 1 63 63 ASP N N 63 115.899 115.899 119.011 -3.112 25069 354 1 1 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.859 -0.291 25069 355 1 1 . 1 1 63 63 ASP C C 63 176.866 176.866 176.496 0.370 25069 356 1 1 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.994 -1.254 25069 357 1 1 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.877 -0.391 25069 358 1 1 . 1 1 63 63 ASP H H 63 7.707 7.707 8.457 -0.750 25069 359 1 1 . 1 1 64 64 SER N N 64 121.158 121.158 121.766 -0.608 25069 360 1 1 . 1 1 64 64 SER HA H 64 4.080 4.080 4.352 -0.272 25069 361 1 1 . 1 1 64 64 SER C C 64 175.780 175.780 175.521 0.259 25069 362 1 1 . 1 1 64 64 SER CA C 64 60.698 60.698 60.243 0.455 25069 363 1 1 . 1 1 64 64 SER CB C 64 63.034 63.034 63.370 -0.336 25069 364 1 1 . 1 1 64 64 SER H H 64 8.034 8.034 8.659 -0.625 25069 365 1 1 . 1 1 65 65 ASN N N 65 115.443 115.443 118.977 -3.534 25069 366 1 1 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.566 0.098 25069 367 1 1 . 1 1 65 65 ASN C C 65 174.775 174.775 175.450 -0.675 25069 368 1 1 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.816 -1.817 25069 369 1 1 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.608 -1.437 25069 370 1 1 . 1 1 65 65 ASN H H 65 8.055 8.055 8.613 -0.558 25069 371 1 1 . 1 1 66 66 ARG N N 66 114.242 114.242 117.107 -2.865 25069 372 1 1 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.554 -0.627 25069 373 1 1 . 1 1 66 66 ARG C C 66 175.354 175.354 175.224 0.130 25069 374 1 1 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.255 -0.097 25069 375 1 1 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.399 -0.546 25069 376 1 1 . 1 1 66 66 ARG H H 66 7.560 7.560 8.171 -0.611 25069 377 1 1 . 1 1 67 67 ASP N N 67 118.260 118.260 119.241 -0.981 25069 378 1 1 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.763 -0.161 25069 379 1 1 . 1 1 67 67 ASP C C 67 177.143 177.143 175.526 1.617 25069 380 1 1 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.046 -0.027 25069 381 1 1 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.846 -1.142 25069 382 1 1 . 1 1 67 67 ASP H H 67 8.406 8.406 8.738 -0.332 25069 383 1 1 . 1 1 68 68 ASN N N 68 115.091 115.091 115.027 0.064 25069 384 1 1 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.463 -0.484 25069 385 1 1 . 1 1 68 68 ASN C C 68 173.046 173.046 173.522 -0.476 25069 386 1 1 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.303 1.034 25069 387 1 1 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.682 0.207 25069 388 1 1 . 1 1 68 68 ASN H H 68 10.021 10.021 8.559 1.462 25069 389 1 1 . 1 1 69 69 GLU N N 69 115.671 115.671 117.016 -1.345 25069 390 1 1 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.035 -0.337 25069 391 1 1 . 1 1 69 69 GLU C C 69 175.335 175.335 175.456 -0.121 25069 392 1 1 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.745 0.126 25069 393 1 1 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.028 2.605 25069 394 1 1 . 1 1 69 69 GLU H H 69 7.724 7.724 7.703 0.021 25069 395 1 1 . 1 1 70 70 VAL N N 70 124.606 124.606 125.677 -1.071 25069 396 1 1 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.434 0.701 25069 397 1 1 . 1 1 70 70 VAL C C 70 175.876 175.876 176.699 -0.823 25069 398 1 1 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.201 -1.059 25069 399 1 1 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.193 1.364 25069 400 1 1 . 1 1 70 70 VAL H H 70 9.814 9.814 8.724 1.090 25069 401 1 1 . 1 1 71 71 ASP N N 71 127.612 127.612 127.663 -0.051 25069 402 1 1 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.438 -0.413 25069 403 1 1 . 1 1 71 71 ASP C C 71 175.018 175.018 177.585 -2.567 25069 404 1 1 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.138 -0.577 25069 405 1 1 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.902 -0.923 25069 406 1 1 . 1 1 71 71 ASP H H 71 8.896 8.896 9.478 -0.582 25069 407 1 1 . 1 1 72 72 PHE N N 72 117.738 117.738 118.031 -0.293 25069 408 1 1 . 1 1 72 72 PHE C C 72 177.390 177.390 177.683 -0.293 25069 409 1 1 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.376 0.650 25069 410 1 1 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.300 0.928 25069 411 1 1 . 1 1 72 72 PHE H H 72 8.993 8.993 8.237 0.756 25069 412 1 1 . 1 1 73 73 GLN N N 73 120.479 120.479 119.006 1.473 25069 413 1 1 . 1 1 73 73 GLN HA H 73 3.804 3.804 4.101 -0.297 25069 414 1 1 . 1 1 73 73 GLN C C 73 178.583 178.583 178.557 0.026 25069 415 1 1 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.256 0.804 25069 416 1 1 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.666 -0.838 25069 417 1 1 . 1 1 73 73 GLN H H 73 8.246 8.246 9.341 -1.095 25069 418 1 1 . 1 1 74 74 GLU N N 74 120.179 120.179 119.383 0.796 25069 419 1 1 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.060 -0.216 25069 420 1 1 . 1 1 74 74 GLU C C 74 180.584 180.584 179.230 1.354 25069 421 1 1 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.206 -0.193 25069 422 1 1 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.573 0.833 25069 423 1 1 . 1 1 74 74 GLU H H 74 8.782 8.782 8.658 0.124 25069 424 1 1 . 1 1 75 75 TYR N N 75 122.109 122.109 121.324 0.785 25069 425 1 1 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.297 -0.285 25069 426 1 1 . 1 1 75 75 TYR C C 75 175.383 175.383 177.172 -1.789 25069 427 1 1 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.304 -1.081 25069 428 1 1 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.983 -0.193 25069 429 1 1 . 1 1 75 75 TYR H H 75 8.619 8.619 8.421 0.198 25069 430 1 1 . 1 1 76 76 SER N N 76 117.790 117.790 115.398 2.392 25069 431 1 1 . 1 1 76 76 SER HA H 76 3.326 3.326 4.031 -0.705 25069 432 1 1 . 1 1 76 76 SER C C 76 176.930 176.930 177.021 -0.091 25069 433 1 1 . 1 1 76 76 SER CA C 76 62.377 62.377 61.795 0.582 25069 434 1 1 . 1 1 76 76 SER CB C 76 62.573 62.573 63.034 -0.461 25069 435 1 1 . 1 1 76 76 SER H H 76 8.654 8.654 8.428 0.226 25069 436 1 1 . 1 1 77 77 VAL N N 77 123.033 123.033 123.733 -0.700 25069 437 1 1 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.824 -0.245 25069 438 1 1 . 1 1 77 77 VAL C C 77 178.969 178.969 177.900 1.069 25069 439 1 1 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.831 0.265 25069 440 1 1 . 1 1 77 77 VAL CB C 77 31.977 31.977 30.331 1.646 25069 441 1 1 . 1 1 77 77 VAL H H 77 7.844 7.844 8.685 -0.841 25069 442 1 1 . 1 1 78 78 PHE N N 78 121.473 121.473 121.818 -0.345 25069 443 1 1 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.091 0.257 25069 444 1 1 . 1 1 78 78 PHE C C 78 177.726 177.726 176.681 1.045 25069 445 1 1 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.710 -1.381 25069 446 1 1 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.388 0.156 25069 447 1 1 . 1 1 78 78 PHE H H 78 7.439 7.439 7.590 -0.151 25069 448 1 1 . 1 1 79 79 LEU N N 79 118.574 118.574 118.302 0.272 25069 449 1 1 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.180 0.050 25069 450 1 1 . 1 1 79 79 LEU C C 79 178.837 178.837 178.707 0.130 25069 451 1 1 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.593 0.137 25069 452 1 1 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.860 -0.408 25069 453 1 1 . 1 1 79 79 LEU H H 79 8.298 8.298 7.485 0.813 25069 454 1 1 . 1 1 80 80 SER N N 80 112.827 112.827 116.181 -3.354 25069 455 1 1 . 1 1 80 80 SER HA H 80 3.978 3.978 3.973 0.005 25069 456 1 1 . 1 1 80 80 SER C C 80 175.796 175.796 176.642 -0.846 25069 457 1 1 . 1 1 80 80 SER CA C 80 62.278 62.278 62.100 0.178 25069 458 1 1 . 1 1 80 80 SER CB C 80 63.148 63.148 62.358 0.789 25069 459 1 1 . 1 1 80 80 SER H H 80 7.728 7.728 8.530 -0.802 25069 460 1 1 . 1 1 81 81 SER N N 81 117.584 117.584 118.644 -1.060 25069 461 1 1 . 1 1 81 81 SER HA H 81 4.151 4.151 4.165 -0.014 25069 462 1 1 . 1 1 81 81 SER C C 81 176.761 176.761 176.595 0.166 25069 463 1 1 . 1 1 81 81 SER CA C 81 61.673 61.673 62.063 -0.390 25069 464 1 1 . 1 1 81 81 SER CB C 81 62.441 62.441 62.825 -0.384 25069 465 1 1 . 1 1 81 81 SER H H 81 7.703 7.703 7.992 -0.289 25069 466 1 1 . 1 1 82 82 ILE N N 82 122.194 122.194 121.760 0.434 25069 467 1 1 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.516 0.132 25069 468 1 1 . 1 1 82 82 ILE C C 82 178.743 178.743 177.407 1.336 25069 469 1 1 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.473 -1.324 25069 470 1 1 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.145 -0.420 25069 471 1 1 . 1 1 82 82 ILE H H 82 7.490 7.490 7.877 -0.387 25069 472 1 1 . 1 1 83 83 ALA N N 83 123.288 123.288 121.697 1.591 25069 473 1 1 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.924 -0.110 25069 474 1 1 . 1 1 83 83 ALA C C 83 179.019 179.019 179.904 -0.885 25069 475 1 1 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.044 0.483 25069 476 1 1 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.200 -0.551 25069 477 1 1 . 1 1 83 83 ALA H H 83 8.190 8.190 7.771 0.419 25069 478 1 1 . 1 1 84 84 MET N N 84 114.549 114.549 118.513 -3.964 25069 479 1 1 . 1 1 84 84 MET HA H 84 4.660 4.660 3.946 0.714 25069 480 1 1 . 1 1 84 84 MET C C 84 174.776 174.776 178.606 -3.830 25069 481 1 1 . 1 1 84 84 MET CA C 84 58.603 58.603 59.507 -0.904 25069 482 1 1 . 1 1 84 84 MET CB C 84 37.147 37.147 32.650 4.497 25069 483 1 1 . 1 1 84 84 MET H H 84 8.060 8.060 8.232 -0.172 25069 484 1 1 . 1 1 85 85 MET N N 85 114.638 114.638 117.882 -3.244 25069 485 1 1 . 1 1 85 85 MET HA H 85 4.079 4.079 4.220 -0.141 25069 486 1 1 . 1 1 85 85 MET C C 85 178.153 178.153 179.117 -0.964 25069 487 1 1 . 1 1 85 85 MET CA C 85 58.444 58.444 56.843 1.601 25069 488 1 1 . 1 1 85 85 MET CB C 85 32.523 32.523 30.919 1.605 25069 489 1 1 . 1 1 85 85 MET H H 85 8.097 8.097 8.617 -0.520 25069 490 1 1 . 1 1 86 86 SER N N 86 114.719 114.719 114.953 -0.234 25069 491 1 1 . 1 1 86 86 SER HA H 86 4.184 4.184 4.253 -0.069 25069 492 1 1 . 1 1 86 86 SER C C 86 176.656 176.656 176.748 -0.092 25069 493 1 1 . 1 1 86 86 SER CA C 86 60.867 60.867 61.671 -0.804 25069 494 1 1 . 1 1 86 86 SER CB C 86 63.250 63.250 62.994 0.256 25069 495 1 1 . 1 1 86 86 SER H H 86 8.119 8.119 8.774 -0.655 25069 496 1 1 . 1 1 87 87 ASN N N 87 119.754 119.754 119.853 -0.099 25069 497 1 1 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.563 0.015 25069 498 1 1 . 1 1 87 87 ASN C C 87 176.062 176.062 177.490 -1.428 25069 499 1 1 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.280 -0.104 25069 500 1 1 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.890 -0.142 25069 501 1 1 . 1 1 87 87 ASN H H 87 8.328 8.328 7.677 0.651 25069 502 1 1 . 1 1 88 88 GLU N N 88 117.928 117.928 119.085 -1.157 25069 503 1 1 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.119 -0.380 25069 504 1 1 . 1 1 88 88 GLU C C 88 177.870 177.870 178.645 -0.775 25069 505 1 1 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.816 0.115 25069 506 1 1 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.373 -0.093 25069 507 1 1 . 1 1 88 88 GLU H H 88 7.747 7.747 8.593 -0.846 25069 508 1 1 . 1 1 89 89 PHE N N 89 116.133 116.133 119.126 -2.993 25069 509 1 1 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.461 -0.292 25069 510 1 1 . 1 1 89 89 PHE C C 89 176.404 176.404 176.172 0.232 25069 511 1 1 . 1 1 89 89 PHE CA C 89 59.056 59.056 58.357 0.699 25069 512 1 1 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.741 -0.899 25069 513 1 1 . 1 1 89 89 PHE H H 89 7.465 7.465 8.359 -0.894 25069 514 1 1 . 1 1 90 90 PHE N N 90 119.130 119.130 121.354 -2.224 25069 515 1 1 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.082 -0.027 25069 516 1 1 . 1 1 90 90 PHE C C 90 176.420 176.420 176.605 -0.185 25069 517 1 1 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.943 -1.173 25069 518 1 1 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.261 0.052 25069 519 1 1 . 1 1 90 90 PHE H H 90 7.537 7.537 7.721 -0.184 25069 520 1 1 . 1 1 91 91 GLU N N 91 118.971 118.971 118.006 0.965 25069 521 1 1 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.076 -0.336 25069 522 1 1 . 1 1 91 91 GLU C C 91 176.491 176.491 177.281 -0.790 25069 523 1 1 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.182 0.049 25069 524 1 1 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.029 0.019 25069 525 1 1 . 1 1 91 91 GLU H H 91 7.938 7.938 7.992 -0.054 25069 526 1 1 . 1 1 92 92 GLY N N 92 105.912 105.912 105.829 0.083 25069 527 1 1 . 1 1 92 92 GLY C C 92 173.288 173.288 173.531 -0.243 25069 528 1 1 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.004 0.060 25069 529 1 1 . 1 1 92 92 GLY H H 92 7.201 7.201 7.748 -0.547 25069 530 1 1 . 1 1 93 93 PHE N N 93 118.877 118.877 120.525 -1.648 25069 531 1 1 . 1 1 93 93 PHE C C 93 174.128 174.128 173.175 0.953 25069 532 1 1 . 1 1 93 93 PHE CA C 93 56.209 56.209 53.962 2.247 25069 533 1 1 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.306 -2.536 25069 534 1 1 . 1 1 93 93 PHE H H 93 7.844 7.844 7.473 0.371 25069 535 1 1 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.551 -0.345 25069 536 1 1 . 1 1 94 94 PRO C C 94 176.669 176.669 175.764 0.905 25069 537 1 1 . 1 1 94 94 PRO CA C 94 63.701 63.701 62.940 0.762 25069 538 1 1 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.519 1.317 25069 539 1 1 . 1 1 95 95 ASP N N 95 118.031 118.031 124.067 -6.036 25069 540 1 1 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.579 -0.172 25069 541 1 1 . 1 1 95 95 ASP C C 95 176.139 176.139 177.107 -0.968 25069 542 1 1 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.737 -0.256 25069 543 1 1 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.331 -1.310 25069 544 1 1 . 1 1 95 95 ASP H H 95 8.144 8.144 8.909 -0.765 25069 545 1 1 . 1 1 96 96 LYS N N 96 119.472 119.472 118.731 0.741 25069 546 1 1 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.150 -0.013 25069 547 1 1 . 1 1 96 96 LYS C C 96 176.212 176.212 177.015 -0.803 25069 548 1 1 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.621 -1.442 25069 549 1 1 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.168 0.615 25069 550 1 1 . 1 1 96 96 LYS H H 96 7.980 7.980 7.676 0.304 25069 551 1 1 . 1 1 97 97 GLN N N 97 120.185 120.185 119.350 0.835 25069 552 1 1 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.653 -0.232 25069 553 1 1 . 1 1 97 97 GLN C C 97 173.700 173.700 174.225 -0.525 25069 554 1 1 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.662 1.141 25069 555 1 1 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.926 0.806 25069 556 1 1 . 1 1 97 97 GLN H H 97 8.007 8.007 7.610 0.397 25069 557 1 1 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.463 -0.220 25069 558 1 1 . 1 1 98 98 PRO C C 98 176.605 176.605 176.529 0.076 25069 559 1 1 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.353 -0.339 25069 560 1 1 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.753 0.184 25069 561 1 1 . 1 1 99 99 ARG N N 99 120.677 120.677 115.383 5.294 25069 562 1 1 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.915 0.230 25069 563 1 1 . 1 1 99 99 ARG C C 99 176.053 176.053 175.706 0.347 25069 564 1 1 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.696 -1.724 25069 565 1 1 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.224 2.671 25069 566 1 1 . 1 1 99 99 ARG H H 99 8.254 8.254 8.499 -0.245 25069 567 1 1 . 1 1 100 100 LYS N N 100 122.775 122.775 117.236 5.539 25069 568 1 1 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.337 -0.193 25069 569 1 1 . 1 1 100 100 LYS C C 100 175.376 175.376 175.387 -0.011 25069 570 1 1 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.480 -0.084 25069 571 1 1 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.408 -0.119 25069 572 1 1 . 1 1 100 100 LYS H H 100 8.230 8.230 7.954 0.276 25069 573 1 2 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.559 -0.350 25069 574 1 2 . 1 1 2 2 ALA C C 2 173.983 173.983 177.303 -3.320 25069 575 1 2 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.586 0.016 25069 576 1 2 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.315 1.561 25069 577 1 2 . 1 1 3 3 SER N N 3 121.630 121.630 116.341 5.289 25069 578 1 2 . 1 1 3 3 SER C C 3 172.689 172.689 173.600 -0.911 25069 579 1 2 . 1 1 3 3 SER CA C 3 56.943 56.943 60.051 -3.108 25069 580 1 2 . 1 1 3 3 SER CB C 3 63.102 63.102 61.600 1.502 25069 581 1 2 . 1 1 3 3 SER H H 3 9.907 9.907 8.034 1.873 25069 582 1 2 . 1 1 4 4 PRO C C 4 179.695 179.695 177.910 1.785 25069 583 1 2 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.667 0.067 25069 584 1 2 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.430 0.350 25069 585 1 2 . 1 1 5 5 LEU N N 5 118.522 118.522 118.443 0.079 25069 586 1 2 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.982 0.050 25069 587 1 2 . 1 1 5 5 LEU C C 5 177.968 177.968 178.358 -0.390 25069 588 1 2 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.166 -0.519 25069 589 1 2 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.791 0.844 25069 590 1 2 . 1 1 5 5 LEU H H 5 8.277 8.277 7.605 0.672 25069 591 1 2 . 1 1 6 6 GLU N N 6 118.997 118.997 118.282 0.715 25069 592 1 2 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.008 -0.312 25069 593 1 2 . 1 1 6 6 GLU C C 6 180.177 180.177 179.446 0.731 25069 594 1 2 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.246 1.093 25069 595 1 2 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.938 0.896 25069 596 1 2 . 1 1 6 6 GLU H H 6 8.130 8.130 8.110 0.020 25069 597 1 2 . 1 1 7 7 LYS N N 7 117.838 117.838 118.020 -0.182 25069 598 1 2 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.200 -0.204 25069 599 1 2 . 1 1 7 7 LYS C C 7 178.764 178.764 178.709 0.055 25069 600 1 2 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.898 1.458 25069 601 1 2 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.746 0.413 25069 602 1 2 . 1 1 7 7 LYS H H 7 8.341 8.341 7.568 0.773 25069 603 1 2 . 1 1 8 8 ALA N N 8 122.327 122.327 122.157 0.170 25069 604 1 2 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.227 -0.248 25069 605 1 2 . 1 1 8 8 ALA C C 8 179.482 179.482 179.434 0.048 25069 606 1 2 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.394 0.774 25069 607 1 2 . 1 1 8 8 ALA CB C 8 18.294 18.294 17.992 0.302 25069 608 1 2 . 1 1 8 8 ALA H H 8 8.082 8.082 7.766 0.316 25069 609 1 2 . 1 1 9 9 LEU N N 9 118.212 118.212 117.855 0.357 25069 610 1 2 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.901 0.046 25069 611 1 2 . 1 1 9 9 LEU C C 9 178.844 178.844 178.744 0.100 25069 612 1 2 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.525 0.684 25069 613 1 2 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.160 0.456 25069 614 1 2 . 1 1 9 9 LEU H H 9 8.042 8.042 7.848 0.194 25069 615 1 2 . 1 1 10 10 ASP N N 10 117.997 117.997 119.008 -1.011 25069 616 1 2 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.416 -0.029 25069 617 1 2 . 1 1 10 10 ASP C C 10 179.582 179.582 178.473 1.109 25069 618 1 2 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.117 0.653 25069 619 1 2 . 1 1 10 10 ASP CB C 10 40.994 40.994 40.976 0.018 25069 620 1 2 . 1 1 10 10 ASP H H 10 7.587 7.587 7.608 -0.021 25069 621 1 2 . 1 1 11 11 VAL N N 11 120.702 120.702 119.937 0.765 25069 622 1 2 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.759 -0.022 25069 623 1 2 . 1 1 11 11 VAL C C 11 180.061 180.061 177.779 2.282 25069 624 1 2 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.408 0.736 25069 625 1 2 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.679 -0.053 25069 626 1 2 . 1 1 11 11 VAL H H 11 8.099 8.099 7.734 0.365 25069 627 1 2 . 1 1 12 12 MET N N 12 123.185 123.185 120.923 2.262 25069 628 1 2 . 1 1 12 12 MET HA H 12 3.921 3.921 4.363 -0.442 25069 629 1 2 . 1 1 12 12 MET C C 12 178.871 178.871 178.189 0.682 25069 630 1 2 . 1 1 12 12 MET CA C 12 60.784 60.784 58.136 2.648 25069 631 1 2 . 1 1 12 12 MET CB C 12 32.579 32.579 31.898 0.681 25069 632 1 2 . 1 1 12 12 MET H H 12 8.454 8.454 7.903 0.551 25069 633 1 2 . 1 1 13 13 VAL N N 13 118.900 118.900 119.357 -0.457 25069 634 1 2 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.862 0.063 25069 635 1 2 . 1 1 13 13 VAL C C 13 177.712 177.712 178.523 -0.811 25069 636 1 2 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.643 0.037 25069 637 1 2 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.339 2.908 25069 638 1 2 . 1 1 13 13 VAL H H 13 8.117 8.117 7.759 0.358 25069 639 1 2 . 1 1 14 14 SER N N 14 114.675 114.675 115.335 -0.660 25069 640 1 2 . 1 1 14 14 SER HA H 14 3.966 3.966 3.643 0.323 25069 641 1 2 . 1 1 14 14 SER C C 14 178.306 178.306 176.379 1.927 25069 642 1 2 . 1 1 14 14 SER CA C 14 61.937 61.937 61.016 0.921 25069 643 1 2 . 1 1 14 14 SER CB C 14 62.474 62.474 62.854 -0.380 25069 644 1 2 . 1 1 14 14 SER H H 14 8.935 8.935 7.680 1.255 25069 645 1 2 . 1 1 15 15 THR N N 15 117.582 117.582 119.614 -2.032 25069 646 1 2 . 1 1 15 15 THR HA H 15 4.190 4.190 4.006 0.184 25069 647 1 2 . 1 1 15 15 THR C C 15 174.459 174.459 175.888 -1.429 25069 648 1 2 . 1 1 15 15 THR CA C 15 67.683 67.683 66.763 0.920 25069 649 1 2 . 1 1 15 15 THR CB C 15 68.187 68.187 68.625 -0.438 25069 650 1 2 . 1 1 15 15 THR H H 15 8.543 8.543 8.003 0.540 25069 651 1 2 . 1 1 16 16 PHE N N 16 118.606 118.606 121.906 -3.300 25069 652 1 2 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.633 -0.264 25069 653 1 2 . 1 1 16 16 PHE C C 16 176.480 176.480 176.603 -0.123 25069 654 1 2 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.848 0.633 25069 655 1 2 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.767 0.469 25069 656 1 2 . 1 1 16 16 PHE H H 16 6.809 6.809 8.193 -1.383 25069 657 1 2 . 1 1 17 17 HIS N N 17 114.536 114.536 116.972 -2.436 25069 658 1 2 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.087 0.639 25069 659 1 2 . 1 1 17 17 HIS C C 17 177.124 177.124 176.898 0.226 25069 660 1 2 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.843 -0.116 25069 661 1 2 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.551 0.597 25069 662 1 2 . 1 1 17 17 HIS H H 17 6.955 6.955 7.795 -0.840 25069 663 1 2 . 1 1 18 18 LYS N N 18 120.739 120.739 119.732 1.007 25069 664 1 2 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.059 -0.341 25069 665 1 2 . 1 1 18 18 LYS C C 18 177.006 177.006 177.825 -0.819 25069 666 1 2 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.789 0.078 25069 667 1 2 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.164 -0.050 25069 668 1 2 . 1 1 18 18 LYS H H 18 7.820 7.820 7.548 0.272 25069 669 1 2 . 1 1 19 19 TYR N N 19 112.545 112.545 116.318 -3.773 25069 670 1 2 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.374 -0.235 25069 671 1 2 . 1 1 19 19 TYR C C 19 176.218 176.218 177.621 -1.403 25069 672 1 2 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.187 -0.289 25069 673 1 2 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.511 0.946 25069 674 1 2 . 1 1 19 19 TYR H H 19 6.730 6.730 7.559 -0.829 25069 675 1 2 . 1 1 20 20 SER N N 20 113.404 113.404 114.450 -1.046 25069 676 1 2 . 1 1 20 20 SER HA H 20 3.385 3.385 4.531 -1.146 25069 677 1 2 . 1 1 20 20 SER C C 20 176.961 176.961 176.061 0.900 25069 678 1 2 . 1 1 20 20 SER CA C 20 61.866 61.866 60.480 1.386 25069 679 1 2 . 1 1 20 20 SER CB C 20 60.904 60.904 62.947 -2.043 25069 680 1 2 . 1 1 20 20 SER H H 20 8.493 8.493 8.078 0.415 25069 681 1 2 . 1 1 21 21 GLY N N 21 109.001 109.001 108.297 0.704 25069 682 1 2 . 1 1 21 21 GLY C C 21 173.502 173.502 174.343 -0.841 25069 683 1 2 . 1 1 21 21 GLY CA C 21 45.539 45.539 45.237 0.302 25069 684 1 2 . 1 1 21 21 GLY H H 21 7.512 7.512 7.543 -0.031 25069 685 1 2 . 1 1 22 22 LYS N N 22 120.754 120.754 118.153 2.601 25069 686 1 2 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.416 -0.621 25069 687 1 2 . 1 1 22 22 LYS C C 22 177.354 177.354 176.271 1.083 25069 688 1 2 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.897 3.110 25069 689 1 2 . 1 1 22 22 LYS CB C 22 32.983 32.983 34.133 -1.150 25069 690 1 2 . 1 1 22 22 LYS H H 22 6.958 6.958 7.776 -0.818 25069 691 1 2 . 1 1 23 23 GLU N N 23 115.305 115.305 117.205 -1.900 25069 692 1 2 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.540 -0.082 25069 693 1 2 . 1 1 23 23 GLU C C 23 176.733 176.733 176.020 0.713 25069 694 1 2 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.186 -0.751 25069 695 1 2 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.860 2.494 25069 696 1 2 . 1 1 23 23 GLU H H 23 9.425 9.425 8.859 0.566 25069 697 1 2 . 1 1 24 24 GLY N N 24 112.542 112.542 112.085 0.457 25069 698 1 2 . 1 1 24 24 GLY C C 24 173.486 173.486 173.537 -0.051 25069 699 1 2 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.133 0.209 25069 700 1 2 . 1 1 24 24 GLY H H 24 8.879 8.879 8.534 0.345 25069 701 1 2 . 1 1 25 25 ASP N N 25 125.117 125.117 120.016 5.101 25069 702 1 2 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.871 -0.588 25069 703 1 2 . 1 1 25 25 ASP C C 25 179.177 179.177 175.871 3.306 25069 704 1 2 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.536 2.578 25069 705 1 2 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.647 -0.911 25069 706 1 2 . 1 1 25 25 ASP H H 25 8.423 8.423 7.854 0.569 25069 707 1 2 . 1 1 26 26 LYS N N 26 131.175 131.175 122.284 8.891 25069 708 1 2 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.296 -0.100 25069 709 1 2 . 1 1 26 26 LYS C C 26 176.638 176.638 176.385 0.253 25069 710 1 2 . 1 1 26 26 LYS CA C 26 57.968 57.968 57.568 0.400 25069 711 1 2 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.717 -1.494 25069 712 1 2 . 1 1 26 26 LYS H H 26 9.247 9.247 8.896 0.351 25069 713 1 2 . 1 1 27 27 PHE N N 27 118.593 118.593 115.839 2.754 25069 714 1 2 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.069 -0.370 25069 715 1 2 . 1 1 27 27 PHE C C 27 173.452 173.452 174.198 -0.746 25069 716 1 2 . 1 1 27 27 PHE CA C 27 56.032 56.032 58.163 -2.131 25069 717 1 2 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.182 -1.091 25069 718 1 2 . 1 1 27 27 PHE H H 27 9.335 9.335 8.496 0.839 25069 719 1 2 . 1 1 28 28 LYS N N 28 113.854 113.854 119.771 -5.917 25069 720 1 2 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.431 -0.427 25069 721 1 2 . 1 1 28 28 LYS C C 28 174.468 174.468 175.249 -0.781 25069 722 1 2 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.341 -0.054 25069 723 1 2 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.298 1.720 25069 724 1 2 . 1 1 28 28 LYS H H 28 6.985 6.985 7.747 -0.762 25069 725 1 2 . 1 1 29 29 LEU N N 29 124.858 124.858 125.837 -0.979 25069 726 1 2 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.841 0.172 25069 727 1 2 . 1 1 29 29 LEU C C 29 175.791 175.791 176.673 -0.882 25069 728 1 2 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.483 -0.884 25069 729 1 2 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.795 1.762 25069 730 1 2 . 1 1 29 29 LEU H H 29 9.454 9.454 9.054 0.400 25069 731 1 2 . 1 1 30 30 ASN N N 30 122.896 122.896 122.498 0.398 25069 732 1 2 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.018 -0.440 25069 733 1 2 . 1 1 30 30 ASN C C 30 174.969 174.969 176.594 -1.625 25069 734 1 2 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.165 -1.067 25069 735 1 2 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.569 -2.211 25069 736 1 2 . 1 1 30 30 ASN H H 30 9.560 9.560 8.108 1.452 25069 737 1 2 . 1 1 31 31 LYS N N 31 115.136 115.136 119.462 -4.326 25069 738 1 2 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.878 -0.008 25069 739 1 2 . 1 1 31 31 LYS C C 31 177.992 177.992 178.536 -0.544 25069 740 1 2 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.637 0.398 25069 741 1 2 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.902 0.303 25069 742 1 2 . 1 1 31 31 LYS H H 31 8.204 8.204 8.869 -0.665 25069 743 1 2 . 1 1 32 32 SER N N 32 113.755 113.755 114.576 -0.821 25069 744 1 2 . 1 1 32 32 SER HA H 32 3.939 3.939 4.096 -0.157 25069 745 1 2 . 1 1 32 32 SER C C 32 177.484 177.484 176.350 1.134 25069 746 1 2 . 1 1 32 32 SER CA C 32 61.374 61.374 61.671 -0.297 25069 747 1 2 . 1 1 32 32 SER CB C 32 62.733 62.733 62.610 0.123 25069 748 1 2 . 1 1 32 32 SER H H 32 7.575 7.575 8.191 -0.616 25069 749 1 2 . 1 1 33 33 GLU N N 33 122.657 122.657 122.289 0.368 25069 750 1 2 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.174 -0.261 25069 751 1 2 . 1 1 33 33 GLU C C 33 178.560 178.560 179.169 -0.609 25069 752 1 2 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.872 -0.030 25069 753 1 2 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.548 1.651 25069 754 1 2 . 1 1 33 33 GLU H H 33 8.608 8.608 7.650 0.958 25069 755 1 2 . 1 1 34 34 LEU N N 34 117.375 117.375 122.122 -4.747 25069 756 1 2 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.803 0.002 25069 757 1 2 . 1 1 34 34 LEU C C 34 177.693 177.693 178.183 -0.490 25069 758 1 2 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.736 -0.960 25069 759 1 2 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.837 -0.140 25069 760 1 2 . 1 1 34 34 LEU H H 34 8.859 8.859 8.740 0.119 25069 761 1 2 . 1 1 35 35 LYS N N 35 117.418 117.418 118.542 -1.124 25069 762 1 2 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.458 0.068 25069 763 1 2 . 1 1 35 35 LYS C C 35 179.129 179.129 178.716 0.413 25069 764 1 2 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.133 0.033 25069 765 1 2 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.654 0.105 25069 766 1 2 . 1 1 35 35 LYS H H 35 7.901 7.901 8.139 -0.238 25069 767 1 2 . 1 1 36 36 GLU N N 36 120.491 120.491 119.743 0.748 25069 768 1 2 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.054 -0.335 25069 769 1 2 . 1 1 36 36 GLU C C 36 176.354 176.354 179.265 -2.911 25069 770 1 2 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.068 0.901 25069 771 1 2 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.760 -0.367 25069 772 1 2 . 1 1 36 36 GLU H H 36 7.619 7.619 7.729 -0.110 25069 773 1 2 . 1 1 37 37 LEU N N 37 120.058 120.058 121.358 -1.300 25069 774 1 2 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.828 -0.403 25069 775 1 2 . 1 1 37 37 LEU C C 37 179.412 179.412 178.415 0.997 25069 776 1 2 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.652 1.785 25069 777 1 2 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.661 0.143 25069 778 1 2 . 1 1 37 37 LEU H H 37 7.762 7.762 8.289 -0.527 25069 779 1 2 . 1 1 38 38 LEU N N 38 116.987 116.987 119.255 -2.268 25069 780 1 2 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.079 -0.414 25069 781 1 2 . 1 1 38 38 LEU C C 38 178.279 178.279 179.615 -1.336 25069 782 1 2 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.736 -0.058 25069 783 1 2 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.883 1.431 25069 784 1 2 . 1 1 38 38 LEU H H 38 8.532 8.532 8.662 -0.130 25069 785 1 2 . 1 1 39 39 THR N N 39 108.650 108.650 111.042 -2.392 25069 786 1 2 . 1 1 39 39 THR HA H 39 3.693 3.693 4.085 -0.392 25069 787 1 2 . 1 1 39 39 THR C C 39 176.231 176.231 176.984 -0.753 25069 788 1 2 . 1 1 39 39 THR CA C 39 65.997 65.997 65.940 0.057 25069 789 1 2 . 1 1 39 39 THR CB C 39 69.618 69.618 68.590 1.028 25069 790 1 2 . 1 1 39 39 THR H H 39 7.883 7.883 8.630 -0.747 25069 791 1 2 . 1 1 40 40 ARG N N 40 115.482 115.482 119.731 -4.249 25069 792 1 2 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.254 -0.102 25069 793 1 2 . 1 1 40 40 ARG C C 40 178.520 178.520 178.382 0.138 25069 794 1 2 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.449 -0.414 25069 795 1 2 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.716 0.529 25069 796 1 2 . 1 1 40 40 ARG H H 40 8.015 8.015 7.824 0.191 25069 797 1 2 . 1 1 41 41 GLU N N 41 112.106 112.106 116.573 -4.467 25069 798 1 2 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.426 0.408 25069 799 1 2 . 1 1 41 41 GLU C C 41 177.856 177.856 177.127 0.729 25069 800 1 2 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.838 -1.640 25069 801 1 2 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.901 -0.580 25069 802 1 2 . 1 1 41 41 GLU H H 41 8.463 8.463 8.435 0.028 25069 803 1 2 . 1 1 42 42 LEU N N 42 119.287 119.287 121.481 -2.194 25069 804 1 2 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.944 0.108 25069 805 1 2 . 1 1 42 42 LEU C C 42 174.457 174.457 174.525 -0.068 25069 806 1 2 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.428 0.410 25069 807 1 2 . 1 1 42 42 LEU CB C 42 44.083 44.083 41.913 2.170 25069 808 1 2 . 1 1 42 42 LEU H H 42 7.688 7.688 7.884 -0.196 25069 809 1 2 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.375 -0.171 25069 810 1 2 . 1 1 43 43 PRO C C 43 179.969 179.969 178.455 1.514 25069 811 1 2 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.707 -0.018 25069 812 1 2 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.928 -1.101 25069 813 1 2 . 1 1 44 44 SER N N 44 114.352 114.352 112.038 2.314 25069 814 1 2 . 1 1 44 44 SER HA H 44 4.093 4.093 4.238 -0.145 25069 815 1 2 . 1 1 44 44 SER C C 44 175.709 175.709 176.515 -0.806 25069 816 1 2 . 1 1 44 44 SER CA C 44 60.793 60.793 61.075 -0.283 25069 817 1 2 . 1 1 44 44 SER CB C 44 62.400 62.400 62.938 -0.538 25069 818 1 2 . 1 1 44 44 SER H H 44 8.674 8.674 8.157 0.517 25069 819 1 2 . 1 1 45 45 PHE N N 45 121.558 121.558 122.104 -0.546 25069 820 1 2 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.253 -0.101 25069 821 1 2 . 1 1 45 45 PHE C C 45 176.441 176.441 177.361 -0.920 25069 822 1 2 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.019 -0.685 25069 823 1 2 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.188 0.601 25069 824 1 2 . 1 1 45 45 PHE H H 45 7.952 7.952 7.571 0.381 25069 825 1 2 . 1 1 46 46 LEU N N 46 117.590 117.590 115.632 1.958 25069 826 1 2 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.189 -0.353 25069 827 1 2 . 1 1 46 46 LEU C C 46 178.236 178.236 178.781 -0.545 25069 828 1 2 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.769 1.375 25069 829 1 2 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.480 1.036 25069 830 1 2 . 1 1 46 46 LEU H H 46 7.906 7.906 7.749 0.157 25069 831 1 2 . 1 1 47 47 GLY N N 47 104.817 104.817 109.560 -4.743 25069 832 1 2 . 1 1 47 47 GLY C C 47 174.665 174.665 175.693 -1.028 25069 833 1 2 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.592 -0.607 25069 834 1 2 . 1 1 47 47 GLY H H 47 7.646 7.646 7.706 -0.060 25069 835 1 2 . 1 1 48 48 LYS N N 48 120.422 120.422 118.485 1.937 25069 836 1 2 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.181 -0.029 25069 837 1 2 . 1 1 48 48 LYS C C 48 177.029 177.029 176.710 0.319 25069 838 1 2 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.024 -0.544 25069 839 1 2 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.778 -0.526 25069 840 1 2 . 1 1 48 48 LYS H H 48 8.400 8.400 7.253 1.147 25069 841 1 2 . 1 1 49 49 ARG N N 49 119.815 119.815 119.479 0.336 25069 842 1 2 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.486 -0.183 25069 843 1 2 . 1 1 49 49 ARG C C 49 175.183 175.183 173.928 1.255 25069 844 1 2 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.462 0.238 25069 845 1 2 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.110 -1.603 25069 846 1 2 . 1 1 49 49 ARG H H 49 7.801 7.801 7.067 0.734 25069 847 1 2 . 1 1 50 50 THR N N 50 110.525 110.525 113.762 -3.237 25069 848 1 2 . 1 1 50 50 THR HA H 50 4.091 4.091 4.334 -0.243 25069 849 1 2 . 1 1 50 50 THR C C 50 174.108 174.108 173.779 0.329 25069 850 1 2 . 1 1 50 50 THR CA C 50 61.579 61.579 61.249 0.330 25069 851 1 2 . 1 1 50 50 THR CB C 50 69.136 69.136 69.650 -0.514 25069 852 1 2 . 1 1 50 50 THR H H 50 7.808 7.808 8.004 -0.196 25069 853 1 2 . 1 1 51 51 ASP N N 51 121.073 121.073 125.990 -4.917 25069 854 1 2 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.735 -0.175 25069 855 1 2 . 1 1 51 51 ASP C C 51 175.715 175.715 175.759 -0.044 25069 856 1 2 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.392 -0.338 25069 857 1 2 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.517 -1.706 25069 858 1 2 . 1 1 51 51 ASP H H 51 7.924 7.924 8.216 -0.292 25069 859 1 2 . 1 1 52 52 GLU N N 52 120.418 120.418 124.106 -3.688 25069 860 1 2 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.247 -0.205 25069 861 1 2 . 1 1 52 52 GLU C C 52 178.726 178.726 178.014 0.712 25069 862 1 2 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.115 -0.555 25069 863 1 2 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.880 -0.496 25069 864 1 2 . 1 1 52 52 GLU H H 52 8.515 8.515 9.031 -0.516 25069 865 1 2 . 1 1 53 53 ALA N N 53 120.807 120.807 121.386 -0.579 25069 866 1 2 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.146 -0.110 25069 867 1 2 . 1 1 53 53 ALA C C 53 180.416 180.416 179.184 1.232 25069 868 1 2 . 1 1 53 53 ALA CA C 53 55.141 55.141 55.290 -0.149 25069 869 1 2 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.212 -0.268 25069 870 1 2 . 1 1 53 53 ALA H H 53 8.242 8.242 8.891 -0.649 25069 871 1 2 . 1 1 54 54 ALA N N 54 121.069 121.069 121.719 -0.650 25069 872 1 2 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.121 -0.194 25069 873 1 2 . 1 1 54 54 ALA C C 54 180.846 180.846 179.754 1.092 25069 874 1 2 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.649 0.328 25069 875 1 2 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.193 0.144 25069 876 1 2 . 1 1 54 54 ALA H H 54 7.874 7.874 7.773 0.101 25069 877 1 2 . 1 1 55 55 PHE N N 55 118.066 118.066 118.806 -0.740 25069 878 1 2 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.154 -0.187 25069 879 1 2 . 1 1 55 55 PHE C C 55 177.160 177.160 177.887 -0.727 25069 880 1 2 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.654 -0.625 25069 881 1 2 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.577 0.255 25069 882 1 2 . 1 1 55 55 PHE H H 55 8.013 8.013 8.805 -0.792 25069 883 1 2 . 1 1 56 56 GLN N N 56 118.474 118.474 119.853 -1.379 25069 884 1 2 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.943 -0.203 25069 885 1 2 . 1 1 56 56 GLN C C 56 178.531 178.531 178.174 0.357 25069 886 1 2 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.533 -0.702 25069 887 1 2 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.340 -0.485 25069 888 1 2 . 1 1 56 56 GLN H H 56 8.265 8.265 8.528 -0.263 25069 889 1 2 . 1 1 57 57 LYS N N 57 119.207 119.207 120.139 -0.932 25069 890 1 2 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.007 -0.154 25069 891 1 2 . 1 1 57 57 LYS C C 57 178.458 178.458 179.269 -0.811 25069 892 1 2 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.114 -0.037 25069 893 1 2 . 1 1 57 57 LYS CB C 57 32.134 32.134 31.941 0.193 25069 894 1 2 . 1 1 57 57 LYS H H 57 7.622 7.622 8.193 -0.571 25069 895 1 2 . 1 1 58 58 LEU N N 58 119.398 119.398 120.695 -1.297 25069 896 1 2 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.971 -0.066 25069 897 1 2 . 1 1 58 58 LEU C C 58 178.444 178.444 178.383 0.061 25069 898 1 2 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.816 0.305 25069 899 1 2 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.766 -0.112 25069 900 1 2 . 1 1 58 58 LEU H H 58 7.504 7.504 8.256 -0.752 25069 901 1 2 . 1 1 59 59 MET N N 59 116.434 116.434 119.490 -3.056 25069 902 1 2 . 1 1 59 59 MET HA H 59 3.614 3.614 3.830 -0.216 25069 903 1 2 . 1 1 59 59 MET C C 59 177.513 177.513 177.997 -0.484 25069 904 1 2 . 1 1 59 59 MET CA C 59 58.765 58.765 59.933 -1.168 25069 905 1 2 . 1 1 59 59 MET CB C 59 31.060 31.060 32.413 -1.353 25069 906 1 2 . 1 1 59 59 MET H H 59 8.049 8.049 8.631 -0.582 25069 907 1 2 . 1 1 60 60 SER N N 60 111.447 111.447 114.001 -2.554 25069 908 1 2 . 1 1 60 60 SER HA H 60 4.066 4.066 4.150 -0.084 25069 909 1 2 . 1 1 60 60 SER C C 60 175.986 175.986 176.611 -0.625 25069 910 1 2 . 1 1 60 60 SER CA C 60 61.416 61.416 61.119 0.297 25069 911 1 2 . 1 1 60 60 SER CB C 60 62.945 62.945 62.669 0.276 25069 912 1 2 . 1 1 60 60 SER H H 60 7.839 7.839 8.376 -0.537 25069 913 1 2 . 1 1 61 61 ASN N N 61 117.559 117.559 118.907 -1.348 25069 914 1 2 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.560 -0.210 25069 915 1 2 . 1 1 61 61 ASN C C 61 176.377 176.377 177.861 -1.484 25069 916 1 2 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.494 -0.491 25069 917 1 2 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.661 0.212 25069 918 1 2 . 1 1 61 61 ASN H H 61 7.615 7.615 7.999 -0.384 25069 919 1 2 . 1 1 62 62 LEU N N 62 117.926 117.926 118.310 -0.384 25069 920 1 2 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.331 -0.303 25069 921 1 2 . 1 1 62 62 LEU C C 62 178.394 178.394 177.766 0.628 25069 922 1 2 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.341 0.656 25069 923 1 2 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.436 0.966 25069 924 1 2 . 1 1 62 62 LEU H H 62 7.719 7.719 7.764 -0.045 25069 925 1 2 . 1 1 63 63 ASP N N 63 115.899 115.899 119.130 -3.231 25069 926 1 2 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.915 -0.347 25069 927 1 2 . 1 1 63 63 ASP C C 63 176.866 176.866 176.780 0.086 25069 928 1 2 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.950 -1.210 25069 929 1 2 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.697 -0.211 25069 930 1 2 . 1 1 63 63 ASP H H 63 7.707 7.707 8.589 -0.882 25069 931 1 2 . 1 1 64 64 SER N N 64 121.158 121.158 123.178 -2.020 25069 932 1 2 . 1 1 64 64 SER HA H 64 4.080 4.080 4.271 -0.191 25069 933 1 2 . 1 1 64 64 SER C C 64 175.780 175.780 175.679 0.101 25069 934 1 2 . 1 1 64 64 SER CA C 64 60.698 60.698 60.619 0.079 25069 935 1 2 . 1 1 64 64 SER CB C 64 63.034 63.034 63.227 -0.193 25069 936 1 2 . 1 1 64 64 SER H H 64 8.034 8.034 8.526 -0.492 25069 937 1 2 . 1 1 65 65 ASN N N 65 115.443 115.443 119.246 -3.803 25069 938 1 2 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.594 0.070 25069 939 1 2 . 1 1 65 65 ASN C C 65 174.775 174.775 174.682 0.093 25069 940 1 2 . 1 1 65 65 ASN CA C 65 51.999 51.999 54.067 -2.068 25069 941 1 2 . 1 1 65 65 ASN CB C 65 37.171 37.171 39.069 -1.898 25069 942 1 2 . 1 1 65 65 ASN H H 65 8.055 8.055 8.067 -0.012 25069 943 1 2 . 1 1 66 66 ARG N N 66 114.242 114.242 116.153 -1.911 25069 944 1 2 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.357 -0.430 25069 945 1 2 . 1 1 66 66 ARG C C 66 175.354 175.354 175.433 -0.079 25069 946 1 2 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.940 0.220 25069 947 1 2 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.064 -0.211 25069 948 1 2 . 1 1 66 66 ARG H H 66 7.560 7.560 7.657 -0.097 25069 949 1 2 . 1 1 67 67 ASP N N 67 118.260 118.260 120.457 -2.197 25069 950 1 2 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.729 -0.127 25069 951 1 2 . 1 1 67 67 ASP C C 67 177.143 177.143 176.861 0.282 25069 952 1 2 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.802 -0.783 25069 953 1 2 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.708 -1.004 25069 954 1 2 . 1 1 67 67 ASP H H 67 8.406 8.406 8.941 -0.535 25069 955 1 2 . 1 1 68 68 ASN N N 68 115.091 115.091 115.194 -0.103 25069 956 1 2 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.357 -0.378 25069 957 1 2 . 1 1 68 68 ASN C C 68 173.046 173.046 172.919 0.127 25069 958 1 2 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.470 0.867 25069 959 1 2 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.658 0.232 25069 960 1 2 . 1 1 68 68 ASN H H 68 10.021 10.021 9.166 0.855 25069 961 1 2 . 1 1 69 69 GLU N N 69 115.671 115.671 116.071 -0.400 25069 962 1 2 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.970 -0.272 25069 963 1 2 . 1 1 69 69 GLU C C 69 175.335 175.335 174.988 0.347 25069 964 1 2 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.086 -0.215 25069 965 1 2 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.316 2.317 25069 966 1 2 . 1 1 69 69 GLU H H 69 7.724 7.724 7.708 0.016 25069 967 1 2 . 1 1 70 70 VAL N N 70 124.606 124.606 125.819 -1.213 25069 968 1 2 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.430 0.705 25069 969 1 2 . 1 1 70 70 VAL C C 70 175.876 175.876 176.150 -0.274 25069 970 1 2 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.778 -1.636 25069 971 1 2 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.598 0.959 25069 972 1 2 . 1 1 70 70 VAL H H 70 9.814 9.814 8.778 1.036 25069 973 1 2 . 1 1 71 71 ASP N N 71 127.612 127.612 127.538 0.074 25069 974 1 2 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.465 -0.440 25069 975 1 2 . 1 1 71 71 ASP C C 71 175.018 175.018 177.630 -2.612 25069 976 1 2 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.926 -0.365 25069 977 1 2 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.374 -1.395 25069 978 1 2 . 1 1 71 71 ASP H H 71 8.896 8.896 9.213 -0.317 25069 979 1 2 . 1 1 72 72 PHE N N 72 117.738 117.738 118.551 -0.813 25069 980 1 2 . 1 1 72 72 PHE C C 72 177.390 177.390 177.759 -0.369 25069 981 1 2 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.361 0.665 25069 982 1 2 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.516 0.712 25069 983 1 2 . 1 1 72 72 PHE H H 72 8.993 8.993 8.250 0.743 25069 984 1 2 . 1 1 73 73 GLN N N 73 120.479 120.479 118.364 2.115 25069 985 1 2 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.990 -0.186 25069 986 1 2 . 1 1 73 73 GLN C C 73 178.583 178.583 178.105 0.478 25069 987 1 2 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.219 0.841 25069 988 1 2 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.593 -0.765 25069 989 1 2 . 1 1 73 73 GLN H H 73 8.246 8.246 9.036 -0.790 25069 990 1 2 . 1 1 74 74 GLU N N 74 120.179 120.179 119.791 0.388 25069 991 1 2 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.063 -0.219 25069 992 1 2 . 1 1 74 74 GLU C C 74 180.584 180.584 179.284 1.300 25069 993 1 2 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.363 -0.350 25069 994 1 2 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.570 0.836 25069 995 1 2 . 1 1 74 74 GLU H H 74 8.782 8.782 9.174 -0.392 25069 996 1 2 . 1 1 75 75 TYR N N 75 122.109 122.109 121.213 0.896 25069 997 1 2 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.448 -0.436 25069 998 1 2 . 1 1 75 75 TYR C C 75 175.383 175.383 177.285 -1.902 25069 999 1 2 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.165 -0.942 25069 1000 1 2 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.751 0.039 25069 1001 1 2 . 1 1 75 75 TYR H H 75 8.619 8.619 8.524 0.095 25069 1002 1 2 . 1 1 76 76 SER N N 76 117.790 117.790 116.856 0.934 25069 1003 1 2 . 1 1 76 76 SER HA H 76 3.326 3.326 4.057 -0.731 25069 1004 1 2 . 1 1 76 76 SER C C 76 176.930 176.930 176.560 0.370 25069 1005 1 2 . 1 1 76 76 SER CA C 76 62.377 62.377 62.355 0.022 25069 1006 1 2 . 1 1 76 76 SER CB C 76 62.573 62.573 62.903 -0.330 25069 1007 1 2 . 1 1 76 76 SER H H 76 8.654 8.654 8.233 0.421 25069 1008 1 2 . 1 1 77 77 VAL N N 77 123.033 123.033 123.181 -0.148 25069 1009 1 2 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.888 -0.309 25069 1010 1 2 . 1 1 77 77 VAL C C 77 178.969 178.969 178.033 0.936 25069 1011 1 2 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.871 0.225 25069 1012 1 2 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.705 0.272 25069 1013 1 2 . 1 1 77 77 VAL H H 77 7.844 7.844 8.380 -0.536 25069 1014 1 2 . 1 1 78 78 PHE N N 78 121.473 121.473 122.974 -1.501 25069 1015 1 2 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.188 0.160 25069 1016 1 2 . 1 1 78 78 PHE C C 78 177.726 177.726 176.951 0.775 25069 1017 1 2 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.255 -0.926 25069 1018 1 2 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.645 -0.101 25069 1019 1 2 . 1 1 78 78 PHE H H 78 7.439 7.439 7.844 -0.405 25069 1020 1 2 . 1 1 79 79 LEU N N 79 118.574 118.574 117.002 1.572 25069 1021 1 2 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.149 0.081 25069 1022 1 2 . 1 1 79 79 LEU C C 79 178.837 178.837 178.822 0.015 25069 1023 1 2 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.445 0.285 25069 1024 1 2 . 1 1 79 79 LEU CB C 79 40.452 40.452 41.028 -0.576 25069 1025 1 2 . 1 1 79 79 LEU H H 79 8.298 8.298 7.801 0.497 25069 1026 1 2 . 1 1 80 80 SER N N 80 112.827 112.827 115.415 -2.588 25069 1027 1 2 . 1 1 80 80 SER HA H 80 3.978 3.978 4.057 -0.079 25069 1028 1 2 . 1 1 80 80 SER C C 80 175.796 175.796 176.886 -1.090 25069 1029 1 2 . 1 1 80 80 SER CA C 80 62.278 62.278 61.747 0.531 25069 1030 1 2 . 1 1 80 80 SER CB C 80 63.148 63.148 62.835 0.313 25069 1031 1 2 . 1 1 80 80 SER H H 80 7.728 7.728 7.917 -0.189 25069 1032 1 2 . 1 1 81 81 SER N N 81 117.584 117.584 119.302 -1.718 25069 1033 1 2 . 1 1 81 81 SER HA H 81 4.151 4.151 4.160 -0.009 25069 1034 1 2 . 1 1 81 81 SER C C 81 176.761 176.761 176.793 -0.032 25069 1035 1 2 . 1 1 81 81 SER CA C 81 61.673 61.673 61.539 0.134 25069 1036 1 2 . 1 1 81 81 SER CB C 81 62.441 62.441 62.714 -0.273 25069 1037 1 2 . 1 1 81 81 SER H H 81 7.703 7.703 8.310 -0.607 25069 1038 1 2 . 1 1 82 82 ILE N N 82 122.194 122.194 123.421 -1.227 25069 1039 1 2 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.590 0.058 25069 1040 1 2 . 1 1 82 82 ILE C C 82 178.743 178.743 177.512 1.231 25069 1041 1 2 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.084 -0.935 25069 1042 1 2 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.018 -0.293 25069 1043 1 2 . 1 1 82 82 ILE H H 82 7.490 7.490 7.935 -0.445 25069 1044 1 2 . 1 1 83 83 ALA N N 83 123.288 123.288 121.865 1.423 25069 1045 1 2 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.923 -0.109 25069 1046 1 2 . 1 1 83 83 ALA C C 83 179.019 179.019 179.889 -0.870 25069 1047 1 2 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.088 0.439 25069 1048 1 2 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.211 -0.562 25069 1049 1 2 . 1 1 83 83 ALA H H 83 8.190 8.190 7.632 0.558 25069 1050 1 2 . 1 1 84 84 MET N N 84 114.549 114.549 118.269 -3.720 25069 1051 1 2 . 1 1 84 84 MET HA H 84 4.660 4.660 4.422 0.238 25069 1052 1 2 . 1 1 84 84 MET C C 84 174.776 174.776 178.924 -4.148 25069 1053 1 2 . 1 1 84 84 MET CA C 84 58.603 58.603 59.173 -0.570 25069 1054 1 2 . 1 1 84 84 MET CB C 84 37.147 37.147 32.683 4.464 25069 1055 1 2 . 1 1 84 84 MET H H 84 8.060 8.060 8.463 -0.403 25069 1056 1 2 . 1 1 85 85 MET N N 85 114.638 114.638 118.303 -3.665 25069 1057 1 2 . 1 1 85 85 MET HA H 85 4.079 4.079 4.266 -0.187 25069 1058 1 2 . 1 1 85 85 MET C C 85 178.153 178.153 179.238 -1.085 25069 1059 1 2 . 1 1 85 85 MET CA C 85 58.444 58.444 56.870 1.574 25069 1060 1 2 . 1 1 85 85 MET CB C 85 32.523 32.523 31.064 1.459 25069 1061 1 2 . 1 1 85 85 MET H H 85 8.097 8.097 8.408 -0.311 25069 1062 1 2 . 1 1 86 86 SER N N 86 114.719 114.719 115.524 -0.805 25069 1063 1 2 . 1 1 86 86 SER HA H 86 4.184 4.184 4.330 -0.146 25069 1064 1 2 . 1 1 86 86 SER C C 86 176.656 176.656 176.875 -0.219 25069 1065 1 2 . 1 1 86 86 SER CA C 86 60.867 60.867 61.663 -0.796 25069 1066 1 2 . 1 1 86 86 SER CB C 86 63.250 63.250 62.957 0.293 25069 1067 1 2 . 1 1 86 86 SER H H 86 8.119 8.119 8.676 -0.557 25069 1068 1 2 . 1 1 87 87 ASN N N 87 119.754 119.754 118.948 0.806 25069 1069 1 2 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.649 -0.071 25069 1070 1 2 . 1 1 87 87 ASN C C 87 176.062 176.062 177.694 -1.632 25069 1071 1 2 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.719 0.457 25069 1072 1 2 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.655 0.093 25069 1073 1 2 . 1 1 87 87 ASN H H 87 8.328 8.328 8.161 0.167 25069 1074 1 2 . 1 1 88 88 GLU N N 88 117.928 117.928 121.243 -3.315 25069 1075 1 2 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.516 -0.777 25069 1076 1 2 . 1 1 88 88 GLU C C 88 177.870 177.870 178.887 -1.017 25069 1077 1 2 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.525 0.407 25069 1078 1 2 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.574 -0.293 25069 1079 1 2 . 1 1 88 88 GLU H H 88 7.747 7.747 8.571 -0.824 25069 1080 1 2 . 1 1 89 89 PHE N N 89 116.133 116.133 120.834 -4.701 25069 1081 1 2 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.285 -0.116 25069 1082 1 2 . 1 1 89 89 PHE C C 89 176.404 176.404 176.761 -0.357 25069 1083 1 2 . 1 1 89 89 PHE CA C 89 59.056 59.056 60.341 -1.285 25069 1084 1 2 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.349 -0.507 25069 1085 1 2 . 1 1 89 89 PHE H H 89 7.465 7.465 8.097 -0.632 25069 1086 1 2 . 1 1 90 90 PHE N N 90 119.130 119.130 120.189 -1.059 25069 1087 1 2 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.127 -0.072 25069 1088 1 2 . 1 1 90 90 PHE C C 90 176.420 176.420 176.485 -0.065 25069 1089 1 2 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.691 -0.921 25069 1090 1 2 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.186 0.127 25069 1091 1 2 . 1 1 90 90 PHE H H 90 7.537 7.537 7.981 -0.444 25069 1092 1 2 . 1 1 91 91 GLU N N 91 118.971 118.971 117.605 1.366 25069 1093 1 2 . 1 1 91 91 GLU HA H 91 3.740 3.740 3.949 -0.209 25069 1094 1 2 . 1 1 91 91 GLU C C 91 176.491 176.491 177.354 -0.863 25069 1095 1 2 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.043 0.188 25069 1096 1 2 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.041 0.007 25069 1097 1 2 . 1 1 91 91 GLU H H 91 7.938 7.938 7.765 0.173 25069 1098 1 2 . 1 1 92 92 GLY N N 92 105.912 105.912 106.360 -0.448 25069 1099 1 2 . 1 1 92 92 GLY C C 92 173.288 173.288 173.799 -0.511 25069 1100 1 2 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.174 -0.110 25069 1101 1 2 . 1 1 92 92 GLY H H 92 7.201 7.201 7.977 -0.776 25069 1102 1 2 . 1 1 93 93 PHE N N 93 118.877 118.877 114.505 4.372 25069 1103 1 2 . 1 1 93 93 PHE C C 93 174.128 174.128 172.500 1.628 25069 1104 1 2 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.364 1.845 25069 1105 1 2 . 1 1 93 93 PHE CB C 93 38.770 38.770 39.235 -0.465 25069 1106 1 2 . 1 1 93 93 PHE H H 93 7.844 7.844 6.982 0.862 25069 1107 1 2 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.787 -0.581 25069 1108 1 2 . 1 1 94 94 PRO C C 94 176.669 176.669 175.882 0.787 25069 1109 1 2 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.390 0.311 25069 1110 1 2 . 1 1 94 94 PRO CB C 94 31.836 31.836 31.341 0.495 25069 1111 1 2 . 1 1 95 95 ASP N N 95 118.031 118.031 123.639 -5.608 25069 1112 1 2 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.801 -0.394 25069 1113 1 2 . 1 1 95 95 ASP C C 95 176.139 176.139 176.773 -0.634 25069 1114 1 2 . 1 1 95 95 ASP CA C 95 54.481 54.481 53.190 1.291 25069 1115 1 2 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.854 -1.833 25069 1116 1 2 . 1 1 95 95 ASP H H 95 8.144 8.144 9.437 -1.293 25069 1117 1 2 . 1 1 96 96 LYS N N 96 119.472 119.472 118.202 1.270 25069 1118 1 2 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.315 -0.178 25069 1119 1 2 . 1 1 96 96 LYS C C 96 176.212 176.212 176.780 -0.568 25069 1120 1 2 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.857 -0.678 25069 1121 1 2 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.476 0.307 25069 1122 1 2 . 1 1 96 96 LYS H H 96 7.980 7.980 7.890 0.090 25069 1123 1 2 . 1 1 97 97 GLN N N 97 120.185 120.185 118.603 1.582 25069 1124 1 2 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.729 -0.308 25069 1125 1 2 . 1 1 97 97 GLN C C 97 173.700 173.700 174.037 -0.337 25069 1126 1 2 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.498 1.306 25069 1127 1 2 . 1 1 97 97 GLN CB C 97 28.732 28.732 29.170 -0.438 25069 1128 1 2 . 1 1 97 97 GLN H H 97 8.007 8.007 7.476 0.531 25069 1129 1 2 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.345 -0.102 25069 1130 1 2 . 1 1 98 98 PRO C C 98 176.605 176.605 177.965 -1.360 25069 1131 1 2 . 1 1 98 98 PRO CA C 98 63.014 63.014 64.102 -1.088 25069 1132 1 2 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.989 -0.052 25069 1133 1 2 . 1 1 99 99 ARG N N 99 120.677 120.677 114.005 6.672 25069 1134 1 2 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.962 0.183 25069 1135 1 2 . 1 1 99 99 ARG C C 99 176.053 176.053 177.024 -0.971 25069 1136 1 2 . 1 1 99 99 ARG CA C 99 55.972 55.972 58.670 -2.698 25069 1137 1 2 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.058 2.836 25069 1138 1 2 . 1 1 99 99 ARG H H 99 8.254 8.254 8.728 -0.474 25069 1139 1 2 . 1 1 100 100 LYS N N 100 122.775 122.775 121.049 1.726 25069 1140 1 2 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.181 -0.037 25069 1141 1 2 . 1 1 100 100 LYS C C 100 175.376 175.376 176.002 -0.626 25069 1142 1 2 . 1 1 100 100 LYS CA C 100 56.396 56.396 58.382 -1.986 25069 1143 1 2 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.175 0.114 25069 1144 1 2 . 1 1 100 100 LYS H H 100 8.230 8.230 7.755 0.475 25069 1145 1 3 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.503 -0.294 25069 1146 1 3 . 1 1 2 2 ALA C C 2 173.983 173.983 177.247 -3.264 25069 1147 1 3 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.630 -0.028 25069 1148 1 3 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.942 0.933 25069 1149 1 3 . 1 1 3 3 SER N N 3 121.630 121.630 116.649 4.981 25069 1150 1 3 . 1 1 3 3 SER C C 3 172.689 172.689 174.797 -2.108 25069 1151 1 3 . 1 1 3 3 SER CA C 3 56.943 56.943 57.880 -0.937 25069 1152 1 3 . 1 1 3 3 SER CB C 3 63.102 63.102 62.099 1.003 25069 1153 1 3 . 1 1 3 3 SER H H 3 9.907 9.907 8.078 1.829 25069 1154 1 3 . 1 1 4 4 PRO C C 4 179.695 179.695 177.673 2.022 25069 1155 1 3 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.266 0.468 25069 1156 1 3 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.076 0.704 25069 1157 1 3 . 1 1 5 5 LEU N N 5 118.522 118.522 118.813 -0.291 25069 1158 1 3 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.885 0.146 25069 1159 1 3 . 1 1 5 5 LEU C C 5 177.968 177.968 177.906 0.062 25069 1160 1 3 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.164 -0.516 25069 1161 1 3 . 1 1 5 5 LEU CB C 5 42.635 42.635 42.048 0.587 25069 1162 1 3 . 1 1 5 5 LEU H H 5 8.277 8.277 8.442 -0.165 25069 1163 1 3 . 1 1 6 6 GLU N N 6 118.997 118.997 118.173 0.824 25069 1164 1 3 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.944 -0.248 25069 1165 1 3 . 1 1 6 6 GLU C C 6 180.177 180.177 178.970 1.207 25069 1166 1 3 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.453 0.886 25069 1167 1 3 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.839 0.995 25069 1168 1 3 . 1 1 6 6 GLU H H 6 8.130 8.130 8.385 -0.255 25069 1169 1 3 . 1 1 7 7 LYS N N 7 117.838 117.838 118.339 -0.501 25069 1170 1 3 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.253 -0.257 25069 1171 1 3 . 1 1 7 7 LYS C C 7 178.764 178.764 178.627 0.137 25069 1172 1 3 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.332 2.024 25069 1173 1 3 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.732 0.427 25069 1174 1 3 . 1 1 7 7 LYS H H 7 8.341 8.341 7.517 0.824 25069 1175 1 3 . 1 1 8 8 ALA N N 8 122.327 122.327 123.093 -0.766 25069 1176 1 3 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.132 -0.153 25069 1177 1 3 . 1 1 8 8 ALA C C 8 179.482 179.482 179.432 0.050 25069 1178 1 3 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.821 0.347 25069 1179 1 3 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.184 0.110 25069 1180 1 3 . 1 1 8 8 ALA H H 8 8.082 8.082 8.305 -0.223 25069 1181 1 3 . 1 1 9 9 LEU N N 9 118.212 118.212 117.685 0.527 25069 1182 1 3 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.915 0.032 25069 1183 1 3 . 1 1 9 9 LEU C C 9 178.844 178.844 178.769 0.075 25069 1184 1 3 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.433 0.776 25069 1185 1 3 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.104 0.512 25069 1186 1 3 . 1 1 9 9 LEU H H 9 8.042 8.042 7.974 0.068 25069 1187 1 3 . 1 1 10 10 ASP N N 10 117.997 117.997 119.107 -1.110 25069 1188 1 3 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.427 -0.040 25069 1189 1 3 . 1 1 10 10 ASP C C 10 179.582 179.582 178.597 0.985 25069 1190 1 3 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.407 0.363 25069 1191 1 3 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.028 -0.034 25069 1192 1 3 . 1 1 10 10 ASP H H 10 7.587 7.587 7.693 -0.106 25069 1193 1 3 . 1 1 11 11 VAL N N 11 120.702 120.702 119.086 1.616 25069 1194 1 3 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.892 -0.155 25069 1195 1 3 . 1 1 11 11 VAL C C 11 180.061 180.061 177.807 2.254 25069 1196 1 3 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.332 0.812 25069 1197 1 3 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.163 0.463 25069 1198 1 3 . 1 1 11 11 VAL H H 11 8.099 8.099 7.677 0.422 25069 1199 1 3 . 1 1 12 12 MET N N 12 123.185 123.185 119.803 3.382 25069 1200 1 3 . 1 1 12 12 MET HA H 12 3.921 3.921 4.389 -0.468 25069 1201 1 3 . 1 1 12 12 MET C C 12 178.871 178.871 178.108 0.763 25069 1202 1 3 . 1 1 12 12 MET CA C 12 60.784 60.784 59.136 1.649 25069 1203 1 3 . 1 1 12 12 MET CB C 12 32.579 32.579 32.148 0.431 25069 1204 1 3 . 1 1 12 12 MET H H 12 8.454 8.454 7.820 0.634 25069 1205 1 3 . 1 1 13 13 VAL N N 13 118.900 118.900 121.018 -2.118 25069 1206 1 3 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.841 0.084 25069 1207 1 3 . 1 1 13 13 VAL C C 13 177.712 177.712 177.992 -0.280 25069 1208 1 3 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.143 -0.463 25069 1209 1 3 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.214 2.033 25069 1210 1 3 . 1 1 13 13 VAL H H 13 8.117 8.117 7.689 0.428 25069 1211 1 3 . 1 1 14 14 SER N N 14 114.675 114.675 115.603 -0.928 25069 1212 1 3 . 1 1 14 14 SER HA H 14 3.966 3.966 3.395 0.571 25069 1213 1 3 . 1 1 14 14 SER C C 14 178.306 178.306 176.519 1.787 25069 1214 1 3 . 1 1 14 14 SER CA C 14 61.937 61.937 61.304 0.633 25069 1215 1 3 . 1 1 14 14 SER CB C 14 62.474 62.474 62.780 -0.306 25069 1216 1 3 . 1 1 14 14 SER H H 14 8.935 8.935 7.684 1.252 25069 1217 1 3 . 1 1 15 15 THR N N 15 117.582 117.582 119.085 -1.503 25069 1218 1 3 . 1 1 15 15 THR HA H 15 4.190 4.190 4.006 0.184 25069 1219 1 3 . 1 1 15 15 THR C C 15 174.459 174.459 175.832 -1.373 25069 1220 1 3 . 1 1 15 15 THR CA C 15 67.683 67.683 66.936 0.747 25069 1221 1 3 . 1 1 15 15 THR CB C 15 68.187 68.187 68.631 -0.444 25069 1222 1 3 . 1 1 15 15 THR H H 15 8.543 8.543 8.358 0.185 25069 1223 1 3 . 1 1 16 16 PHE N N 16 118.606 118.606 121.845 -3.239 25069 1224 1 3 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.716 -0.347 25069 1225 1 3 . 1 1 16 16 PHE C C 16 176.480 176.480 177.321 -0.841 25069 1226 1 3 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.632 0.849 25069 1227 1 3 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.840 0.396 25069 1228 1 3 . 1 1 16 16 PHE H H 16 6.809 6.809 7.704 -0.895 25069 1229 1 3 . 1 1 17 17 HIS N N 17 114.536 114.536 116.979 -2.443 25069 1230 1 3 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.116 0.610 25069 1231 1 3 . 1 1 17 17 HIS C C 17 177.124 177.124 177.361 -0.237 25069 1232 1 3 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.882 -0.155 25069 1233 1 3 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.474 0.674 25069 1234 1 3 . 1 1 17 17 HIS H H 17 6.955 6.955 7.948 -0.993 25069 1235 1 3 . 1 1 18 18 LYS N N 18 120.739 120.739 121.463 -0.724 25069 1236 1 3 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.150 -0.432 25069 1237 1 3 . 1 1 18 18 LYS C C 18 177.006 177.006 178.050 -1.044 25069 1238 1 3 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.064 -0.196 25069 1239 1 3 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.378 -0.264 25069 1240 1 3 . 1 1 18 18 LYS H H 18 7.820 7.820 7.632 0.188 25069 1241 1 3 . 1 1 19 19 TYR N N 19 112.545 112.545 116.783 -4.238 25069 1242 1 3 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.276 -0.137 25069 1243 1 3 . 1 1 19 19 TYR C C 19 176.218 176.218 177.911 -1.693 25069 1244 1 3 . 1 1 19 19 TYR CA C 19 59.898 59.898 61.056 -1.158 25069 1245 1 3 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.663 1.794 25069 1246 1 3 . 1 1 19 19 TYR H H 19 6.730 6.730 7.745 -1.015 25069 1247 1 3 . 1 1 20 20 SER N N 20 113.404 113.404 115.987 -2.583 25069 1248 1 3 . 1 1 20 20 SER HA H 20 3.385 3.385 3.972 -0.587 25069 1249 1 3 . 1 1 20 20 SER C C 20 176.961 176.961 175.890 1.071 25069 1250 1 3 . 1 1 20 20 SER CA C 20 61.866 61.866 61.475 0.391 25069 1251 1 3 . 1 1 20 20 SER CB C 20 60.904 60.904 62.713 -1.809 25069 1252 1 3 . 1 1 20 20 SER H H 20 8.493 8.493 8.244 0.249 25069 1253 1 3 . 1 1 21 21 GLY N N 21 109.001 109.001 106.018 2.983 25069 1254 1 3 . 1 1 21 21 GLY C C 21 173.502 173.502 174.373 -0.871 25069 1255 1 3 . 1 1 21 21 GLY CA C 21 45.539 45.539 45.037 0.502 25069 1256 1 3 . 1 1 21 21 GLY H H 21 7.512 7.512 7.673 -0.161 25069 1257 1 3 . 1 1 22 22 LYS N N 22 120.754 120.754 117.691 3.063 25069 1258 1 3 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.296 -0.501 25069 1259 1 3 . 1 1 22 22 LYS C C 22 177.354 177.354 176.158 1.196 25069 1260 1 3 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.744 3.263 25069 1261 1 3 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.408 -0.425 25069 1262 1 3 . 1 1 22 22 LYS H H 22 6.958 6.958 7.192 -0.234 25069 1263 1 3 . 1 1 23 23 GLU N N 23 115.305 115.305 116.838 -1.533 25069 1264 1 3 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.426 0.032 25069 1265 1 3 . 1 1 23 23 GLU C C 23 176.733 176.733 175.578 1.155 25069 1266 1 3 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.415 -0.980 25069 1267 1 3 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.808 2.546 25069 1268 1 3 . 1 1 23 23 GLU H H 23 9.425 9.425 7.620 1.805 25069 1269 1 3 . 1 1 24 24 GLY N N 24 112.542 112.542 112.698 -0.156 25069 1270 1 3 . 1 1 24 24 GLY C C 24 173.486 173.486 174.084 -0.598 25069 1271 1 3 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.361 0.981 25069 1272 1 3 . 1 1 24 24 GLY H H 24 8.879 8.879 8.402 0.477 25069 1273 1 3 . 1 1 25 25 ASP N N 25 125.117 125.117 122.117 3.000 25069 1274 1 3 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.807 -0.524 25069 1275 1 3 . 1 1 25 25 ASP C C 25 179.177 179.177 175.945 3.232 25069 1276 1 3 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.810 2.304 25069 1277 1 3 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.190 -0.453 25069 1278 1 3 . 1 1 25 25 ASP H H 25 8.423 8.423 8.334 0.089 25069 1279 1 3 . 1 1 26 26 LYS N N 26 131.175 131.175 118.011 13.164 25069 1280 1 3 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.082 0.114 25069 1281 1 3 . 1 1 26 26 LYS C C 26 176.638 176.638 175.487 1.151 25069 1282 1 3 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.910 1.058 25069 1283 1 3 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.030 -0.807 25069 1284 1 3 . 1 1 26 26 LYS H H 26 9.247 9.247 8.461 0.786 25069 1285 1 3 . 1 1 27 27 PHE N N 27 118.593 118.593 115.172 3.421 25069 1286 1 3 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.108 -0.409 25069 1287 1 3 . 1 1 27 27 PHE C C 27 173.452 173.452 174.631 -1.179 25069 1288 1 3 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.357 -1.325 25069 1289 1 3 . 1 1 27 27 PHE CB C 27 39.091 39.091 39.977 -0.886 25069 1290 1 3 . 1 1 27 27 PHE H H 27 9.335 9.335 7.756 1.579 25069 1291 1 3 . 1 1 28 28 LYS N N 28 113.854 113.854 119.206 -5.352 25069 1292 1 3 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.310 -0.306 25069 1293 1 3 . 1 1 28 28 LYS C C 28 174.468 174.468 175.084 -0.616 25069 1294 1 3 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.400 -0.113 25069 1295 1 3 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.540 1.478 25069 1296 1 3 . 1 1 28 28 LYS H H 28 6.985 6.985 7.520 -0.535 25069 1297 1 3 . 1 1 29 29 LEU N N 29 124.858 124.858 125.283 -0.425 25069 1298 1 3 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.518 0.495 25069 1299 1 3 . 1 1 29 29 LEU C C 29 175.791 175.791 175.908 -0.117 25069 1300 1 3 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.681 -1.082 25069 1301 1 3 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.045 1.512 25069 1302 1 3 . 1 1 29 29 LEU H H 29 9.454 9.454 9.112 0.342 25069 1303 1 3 . 1 1 30 30 ASN N N 30 122.896 122.896 121.881 1.015 25069 1304 1 3 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.014 -0.436 25069 1305 1 3 . 1 1 30 30 ASN C C 30 174.969 174.969 176.551 -1.582 25069 1306 1 3 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.199 -1.101 25069 1307 1 3 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.590 -2.232 25069 1308 1 3 . 1 1 30 30 ASN H H 30 9.560 9.560 8.246 1.314 25069 1309 1 3 . 1 1 31 31 LYS N N 31 115.136 115.136 120.033 -4.897 25069 1310 1 3 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.869 0.001 25069 1311 1 3 . 1 1 31 31 LYS C C 31 177.992 177.992 178.674 -0.682 25069 1312 1 3 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.815 0.220 25069 1313 1 3 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.058 0.147 25069 1314 1 3 . 1 1 31 31 LYS H H 31 8.204 8.204 8.842 -0.638 25069 1315 1 3 . 1 1 32 32 SER N N 32 113.755 113.755 115.403 -1.648 25069 1316 1 3 . 1 1 32 32 SER HA H 32 3.939 3.939 4.059 -0.120 25069 1317 1 3 . 1 1 32 32 SER C C 32 177.484 177.484 176.622 0.862 25069 1318 1 3 . 1 1 32 32 SER CA C 32 61.374 61.374 61.425 -0.051 25069 1319 1 3 . 1 1 32 32 SER CB C 32 62.733 62.733 62.832 -0.099 25069 1320 1 3 . 1 1 32 32 SER H H 32 7.575 7.575 8.196 -0.621 25069 1321 1 3 . 1 1 33 33 GLU N N 33 122.657 122.657 121.843 0.814 25069 1322 1 3 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.208 -0.295 25069 1323 1 3 . 1 1 33 33 GLU C C 33 178.560 178.560 179.022 -0.462 25069 1324 1 3 . 1 1 33 33 GLU CA C 33 58.842 58.842 57.468 1.374 25069 1325 1 3 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.209 1.990 25069 1326 1 3 . 1 1 33 33 GLU H H 33 8.608 8.608 7.686 0.922 25069 1327 1 3 . 1 1 34 34 LEU N N 34 117.375 117.375 123.017 -5.642 25069 1328 1 3 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.858 -0.053 25069 1329 1 3 . 1 1 34 34 LEU C C 34 177.693 177.693 178.130 -0.437 25069 1330 1 3 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.591 -0.815 25069 1331 1 3 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.792 -0.095 25069 1332 1 3 . 1 1 34 34 LEU H H 34 8.859 8.859 8.847 0.012 25069 1333 1 3 . 1 1 35 35 LYS N N 35 117.418 117.418 118.959 -1.541 25069 1334 1 3 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.159 0.367 25069 1335 1 3 . 1 1 35 35 LYS C C 35 179.129 179.129 178.726 0.403 25069 1336 1 3 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.294 -0.128 25069 1337 1 3 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.628 0.131 25069 1338 1 3 . 1 1 35 35 LYS H H 35 7.901 7.901 8.271 -0.370 25069 1339 1 3 . 1 1 36 36 GLU N N 36 120.491 120.491 119.436 1.055 25069 1340 1 3 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.077 -0.358 25069 1341 1 3 . 1 1 36 36 GLU C C 36 176.354 176.354 179.357 -3.003 25069 1342 1 3 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.121 0.848 25069 1343 1 3 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.777 -0.384 25069 1344 1 3 . 1 1 36 36 GLU H H 36 7.619 7.619 7.573 0.046 25069 1345 1 3 . 1 1 37 37 LEU N N 37 120.058 120.058 121.411 -1.353 25069 1346 1 3 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.067 -0.642 25069 1347 1 3 . 1 1 37 37 LEU C C 37 179.412 179.412 178.738 0.674 25069 1348 1 3 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.762 1.675 25069 1349 1 3 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.724 0.080 25069 1350 1 3 . 1 1 37 37 LEU H H 37 7.762 7.762 8.350 -0.588 25069 1351 1 3 . 1 1 38 38 LEU N N 38 116.987 116.987 119.530 -2.543 25069 1352 1 3 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.167 -0.502 25069 1353 1 3 . 1 1 38 38 LEU C C 38 178.279 178.279 179.725 -1.446 25069 1354 1 3 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.429 0.249 25069 1355 1 3 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.298 1.016 25069 1356 1 3 . 1 1 38 38 LEU H H 38 8.532 8.532 8.772 -0.240 25069 1357 1 3 . 1 1 39 39 THR N N 39 108.650 108.650 110.477 -1.827 25069 1358 1 3 . 1 1 39 39 THR HA H 39 3.693 3.693 4.089 -0.396 25069 1359 1 3 . 1 1 39 39 THR C C 39 176.231 176.231 176.829 -0.598 25069 1360 1 3 . 1 1 39 39 THR CA C 39 65.997 65.997 65.887 0.110 25069 1361 1 3 . 1 1 39 39 THR CB C 39 69.618 69.618 68.959 0.659 25069 1362 1 3 . 1 1 39 39 THR H H 39 7.883 7.883 8.746 -0.863 25069 1363 1 3 . 1 1 40 40 ARG N N 40 115.482 115.482 119.912 -4.430 25069 1364 1 3 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.343 -0.191 25069 1365 1 3 . 1 1 40 40 ARG C C 40 178.520 178.520 178.248 0.272 25069 1366 1 3 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.208 -0.173 25069 1367 1 3 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.909 0.336 25069 1368 1 3 . 1 1 40 40 ARG H H 40 8.015 8.015 8.060 -0.045 25069 1369 1 3 . 1 1 41 41 GLU N N 41 112.106 112.106 116.908 -4.802 25069 1370 1 3 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.388 0.446 25069 1371 1 3 . 1 1 41 41 GLU C C 41 177.856 177.856 176.511 1.345 25069 1372 1 3 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.861 -1.663 25069 1373 1 3 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.398 -0.077 25069 1374 1 3 . 1 1 41 41 GLU H H 41 8.463 8.463 8.483 -0.020 25069 1375 1 3 . 1 1 42 42 LEU N N 42 119.287 119.287 120.212 -0.925 25069 1376 1 3 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.942 0.110 25069 1377 1 3 . 1 1 42 42 LEU C C 42 174.457 174.457 174.959 -0.502 25069 1378 1 3 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.507 0.331 25069 1379 1 3 . 1 1 42 42 LEU CB C 42 44.083 44.083 41.882 2.201 25069 1380 1 3 . 1 1 42 42 LEU H H 42 7.688 7.688 7.538 0.150 25069 1381 1 3 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.421 -0.217 25069 1382 1 3 . 1 1 43 43 PRO C C 43 179.969 179.969 178.919 1.050 25069 1383 1 3 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.847 -0.159 25069 1384 1 3 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.062 -1.235 25069 1385 1 3 . 1 1 44 44 SER N N 44 114.352 114.352 113.166 1.186 25069 1386 1 3 . 1 1 44 44 SER HA H 44 4.093 4.093 4.285 -0.192 25069 1387 1 3 . 1 1 44 44 SER C C 44 175.709 175.709 176.275 -0.566 25069 1388 1 3 . 1 1 44 44 SER CA C 44 60.793 60.793 61.039 -0.246 25069 1389 1 3 . 1 1 44 44 SER CB C 44 62.400 62.400 62.828 -0.428 25069 1390 1 3 . 1 1 44 44 SER H H 44 8.674 8.674 8.181 0.493 25069 1391 1 3 . 1 1 45 45 PHE N N 45 121.558 121.558 121.957 -0.399 25069 1392 1 3 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.270 -0.118 25069 1393 1 3 . 1 1 45 45 PHE C C 45 176.441 176.441 176.999 -0.558 25069 1394 1 3 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.780 -0.446 25069 1395 1 3 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.055 0.734 25069 1396 1 3 . 1 1 45 45 PHE H H 45 7.952 7.952 8.303 -0.351 25069 1397 1 3 . 1 1 46 46 LEU N N 46 117.590 117.590 114.967 2.623 25069 1398 1 3 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.222 -0.386 25069 1399 1 3 . 1 1 46 46 LEU C C 46 178.236 178.236 179.388 -1.152 25069 1400 1 3 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.896 1.248 25069 1401 1 3 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.735 0.781 25069 1402 1 3 . 1 1 46 46 LEU H H 46 7.906 7.906 7.843 0.063 25069 1403 1 3 . 1 1 47 47 GLY N N 47 104.817 104.817 109.676 -4.859 25069 1404 1 3 . 1 1 47 47 GLY C C 47 174.665 174.665 175.474 -0.809 25069 1405 1 3 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.799 -0.814 25069 1406 1 3 . 1 1 47 47 GLY H H 47 7.646 7.646 7.965 -0.319 25069 1407 1 3 . 1 1 48 48 LYS N N 48 120.422 120.422 118.062 2.360 25069 1408 1 3 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.236 -0.084 25069 1409 1 3 . 1 1 48 48 LYS C C 48 177.029 177.029 176.570 0.459 25069 1410 1 3 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.817 -0.337 25069 1411 1 3 . 1 1 48 48 LYS CB C 48 32.252 32.252 33.104 -0.852 25069 1412 1 3 . 1 1 48 48 LYS H H 48 8.400 8.400 7.282 1.118 25069 1413 1 3 . 1 1 49 49 ARG N N 49 119.815 119.815 120.042 -0.227 25069 1414 1 3 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.476 -0.173 25069 1415 1 3 . 1 1 49 49 ARG C C 49 175.183 175.183 173.832 1.351 25069 1416 1 3 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.488 0.211 25069 1417 1 3 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.245 -1.738 25069 1418 1 3 . 1 1 49 49 ARG H H 49 7.801 7.801 7.457 0.344 25069 1419 1 3 . 1 1 50 50 THR N N 50 110.525 110.525 113.334 -2.809 25069 1420 1 3 . 1 1 50 50 THR HA H 50 4.091 4.091 4.262 -0.171 25069 1421 1 3 . 1 1 50 50 THR C C 50 174.108 174.108 173.807 0.301 25069 1422 1 3 . 1 1 50 50 THR CA C 50 61.579 61.579 60.994 0.585 25069 1423 1 3 . 1 1 50 50 THR CB C 50 69.136 69.136 69.909 -0.773 25069 1424 1 3 . 1 1 50 50 THR H H 50 7.808 7.808 7.769 0.039 25069 1425 1 3 . 1 1 51 51 ASP N N 51 121.073 121.073 123.754 -2.681 25069 1426 1 3 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.659 -0.099 25069 1427 1 3 . 1 1 51 51 ASP C C 51 175.715 175.715 176.038 -0.323 25069 1428 1 3 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.804 -0.750 25069 1429 1 3 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.792 -0.981 25069 1430 1 3 . 1 1 51 51 ASP H H 51 7.924 7.924 7.766 0.158 25069 1431 1 3 . 1 1 52 52 GLU N N 52 120.418 120.418 123.797 -3.379 25069 1432 1 3 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.309 -0.267 25069 1433 1 3 . 1 1 52 52 GLU C C 52 178.726 178.726 178.032 0.694 25069 1434 1 3 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.138 -0.578 25069 1435 1 3 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.772 -0.388 25069 1436 1 3 . 1 1 52 52 GLU H H 52 8.515 8.515 9.059 -0.544 25069 1437 1 3 . 1 1 53 53 ALA N N 53 120.807 120.807 121.377 -0.570 25069 1438 1 3 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.157 -0.121 25069 1439 1 3 . 1 1 53 53 ALA C C 53 180.416 180.416 179.213 1.203 25069 1440 1 3 . 1 1 53 53 ALA CA C 53 55.141 55.141 55.094 0.047 25069 1441 1 3 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.123 -0.179 25069 1442 1 3 . 1 1 53 53 ALA H H 53 8.242 8.242 8.541 -0.299 25069 1443 1 3 . 1 1 54 54 ALA N N 54 121.069 121.069 122.123 -1.054 25069 1444 1 3 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.053 -0.126 25069 1445 1 3 . 1 1 54 54 ALA C C 54 180.846 180.846 179.674 1.172 25069 1446 1 3 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.738 0.239 25069 1447 1 3 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.108 0.230 25069 1448 1 3 . 1 1 54 54 ALA H H 54 7.874 7.874 7.749 0.125 25069 1449 1 3 . 1 1 55 55 PHE N N 55 118.066 118.066 118.673 -0.607 25069 1450 1 3 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.123 -0.156 25069 1451 1 3 . 1 1 55 55 PHE C C 55 177.160 177.160 177.891 -0.731 25069 1452 1 3 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.216 -0.187 25069 1453 1 3 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.464 0.368 25069 1454 1 3 . 1 1 55 55 PHE H H 55 8.013 8.013 8.622 -0.609 25069 1455 1 3 . 1 1 56 56 GLN N N 56 118.474 118.474 119.530 -1.056 25069 1456 1 3 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.988 -0.248 25069 1457 1 3 . 1 1 56 56 GLN C C 56 178.531 178.531 178.079 0.452 25069 1458 1 3 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.184 -0.352 25069 1459 1 3 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.037 -0.183 25069 1460 1 3 . 1 1 56 56 GLN H H 56 8.265 8.265 8.547 -0.282 25069 1461 1 3 . 1 1 57 57 LYS N N 57 119.207 119.207 120.699 -1.492 25069 1462 1 3 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.152 -0.299 25069 1463 1 3 . 1 1 57 57 LYS C C 57 178.458 178.458 179.667 -1.209 25069 1464 1 3 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.879 0.198 25069 1465 1 3 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.053 0.081 25069 1466 1 3 . 1 1 57 57 LYS H H 57 7.622 7.622 8.252 -0.630 25069 1467 1 3 . 1 1 58 58 LEU N N 58 119.398 119.398 121.979 -2.581 25069 1468 1 3 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.957 -0.052 25069 1469 1 3 . 1 1 58 58 LEU C C 58 178.444 178.444 178.121 0.323 25069 1470 1 3 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.849 0.272 25069 1471 1 3 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.787 -0.133 25069 1472 1 3 . 1 1 58 58 LEU H H 58 7.504 7.504 8.394 -0.890 25069 1473 1 3 . 1 1 59 59 MET N N 59 116.434 116.434 119.594 -3.160 25069 1474 1 3 . 1 1 59 59 MET HA H 59 3.614 3.614 3.878 -0.265 25069 1475 1 3 . 1 1 59 59 MET C C 59 177.513 177.513 177.769 -0.256 25069 1476 1 3 . 1 1 59 59 MET CA C 59 58.765 58.765 60.129 -1.364 25069 1477 1 3 . 1 1 59 59 MET CB C 59 31.060 31.060 32.504 -1.444 25069 1478 1 3 . 1 1 59 59 MET H H 59 8.049 8.049 8.771 -0.722 25069 1479 1 3 . 1 1 60 60 SER N N 60 111.447 111.447 113.870 -2.423 25069 1480 1 3 . 1 1 60 60 SER HA H 60 4.066 4.066 4.141 -0.075 25069 1481 1 3 . 1 1 60 60 SER C C 60 175.986 175.986 176.529 -0.543 25069 1482 1 3 . 1 1 60 60 SER CA C 60 61.416 61.416 60.982 0.434 25069 1483 1 3 . 1 1 60 60 SER CB C 60 62.945 62.945 62.298 0.647 25069 1484 1 3 . 1 1 60 60 SER H H 60 7.839 7.839 8.242 -0.403 25069 1485 1 3 . 1 1 61 61 ASN N N 61 117.559 117.559 120.064 -2.505 25069 1486 1 3 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.587 -0.237 25069 1487 1 3 . 1 1 61 61 ASN C C 61 176.377 176.377 177.741 -1.364 25069 1488 1 3 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.550 -0.547 25069 1489 1 3 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.660 0.213 25069 1490 1 3 . 1 1 61 61 ASN H H 61 7.615 7.615 7.936 -0.321 25069 1491 1 3 . 1 1 62 62 LEU N N 62 117.926 117.926 118.738 -0.812 25069 1492 1 3 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.259 -0.231 25069 1493 1 3 . 1 1 62 62 LEU C C 62 178.394 178.394 177.722 0.672 25069 1494 1 3 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.606 0.391 25069 1495 1 3 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.156 1.246 25069 1496 1 3 . 1 1 62 62 LEU H H 62 7.719 7.719 7.893 -0.174 25069 1497 1 3 . 1 1 63 63 ASP N N 63 115.899 115.899 119.743 -3.844 25069 1498 1 3 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.849 -0.281 25069 1499 1 3 . 1 1 63 63 ASP C C 63 176.866 176.866 177.043 -0.177 25069 1500 1 3 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.218 -1.478 25069 1501 1 3 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.812 -0.326 25069 1502 1 3 . 1 1 63 63 ASP H H 63 7.707 7.707 8.731 -1.024 25069 1503 1 3 . 1 1 64 64 SER N N 64 121.158 121.158 123.776 -2.618 25069 1504 1 3 . 1 1 64 64 SER HA H 64 4.080 4.080 4.385 -0.305 25069 1505 1 3 . 1 1 64 64 SER C C 64 175.780 175.780 175.500 0.280 25069 1506 1 3 . 1 1 64 64 SER CA C 64 60.698 60.698 60.748 -0.050 25069 1507 1 3 . 1 1 64 64 SER CB C 64 63.034 63.034 63.346 -0.312 25069 1508 1 3 . 1 1 64 64 SER H H 64 8.034 8.034 8.802 -0.768 25069 1509 1 3 . 1 1 65 65 ASN N N 65 115.443 115.443 119.006 -3.563 25069 1510 1 3 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.570 0.094 25069 1511 1 3 . 1 1 65 65 ASN C C 65 174.775 174.775 175.600 -0.825 25069 1512 1 3 . 1 1 65 65 ASN CA C 65 51.999 51.999 54.036 -2.037 25069 1513 1 3 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.633 -1.462 25069 1514 1 3 . 1 1 65 65 ASN H H 65 8.055 8.055 8.579 -0.524 25069 1515 1 3 . 1 1 66 66 ARG N N 66 114.242 114.242 116.229 -1.987 25069 1516 1 3 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.443 -0.516 25069 1517 1 3 . 1 1 66 66 ARG C C 66 175.354 175.354 175.080 0.274 25069 1518 1 3 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.173 -0.014 25069 1519 1 3 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.074 -0.221 25069 1520 1 3 . 1 1 66 66 ARG H H 66 7.560 7.560 8.294 -0.734 25069 1521 1 3 . 1 1 67 67 ASP N N 67 118.260 118.260 119.390 -1.130 25069 1522 1 3 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.791 -0.189 25069 1523 1 3 . 1 1 67 67 ASP C C 67 177.143 177.143 175.650 1.493 25069 1524 1 3 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.260 -0.241 25069 1525 1 3 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.932 -1.228 25069 1526 1 3 . 1 1 67 67 ASP H H 67 8.406 8.406 8.680 -0.274 25069 1527 1 3 . 1 1 68 68 ASN N N 68 115.091 115.091 116.155 -1.064 25069 1528 1 3 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.443 -0.464 25069 1529 1 3 . 1 1 68 68 ASN C C 68 173.046 173.046 173.394 -0.348 25069 1530 1 3 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.453 0.884 25069 1531 1 3 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.916 -0.026 25069 1532 1 3 . 1 1 68 68 ASN H H 68 10.021 10.021 8.686 1.335 25069 1533 1 3 . 1 1 69 69 GLU N N 69 115.671 115.671 116.281 -0.610 25069 1534 1 3 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.982 -0.284 25069 1535 1 3 . 1 1 69 69 GLU C C 69 175.335 175.335 175.101 0.234 25069 1536 1 3 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.181 -0.310 25069 1537 1 3 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.306 2.327 25069 1538 1 3 . 1 1 69 69 GLU H H 69 7.724 7.724 7.748 -0.024 25069 1539 1 3 . 1 1 70 70 VAL N N 70 124.606 124.606 125.996 -1.390 25069 1540 1 3 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.576 0.559 25069 1541 1 3 . 1 1 70 70 VAL C C 70 175.876 175.876 176.083 -0.207 25069 1542 1 3 . 1 1 70 70 VAL CA C 70 61.142 61.142 63.433 -2.291 25069 1543 1 3 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.633 0.923 25069 1544 1 3 . 1 1 70 70 VAL H H 70 9.814 9.814 8.768 1.046 25069 1545 1 3 . 1 1 71 71 ASP N N 71 127.612 127.612 127.027 0.585 25069 1546 1 3 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.678 -0.653 25069 1547 1 3 . 1 1 71 71 ASP C C 71 175.018 175.018 177.404 -2.386 25069 1548 1 3 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.349 0.212 25069 1549 1 3 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.854 -0.875 25069 1550 1 3 . 1 1 71 71 ASP H H 71 8.896 8.896 9.419 -0.523 25069 1551 1 3 . 1 1 72 72 PHE N N 72 117.738 117.738 117.219 0.519 25069 1552 1 3 . 1 1 72 72 PHE C C 72 177.390 177.390 177.923 -0.533 25069 1553 1 3 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.732 0.294 25069 1554 1 3 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.420 0.808 25069 1555 1 3 . 1 1 72 72 PHE H H 72 8.993 8.993 8.226 0.767 25069 1556 1 3 . 1 1 73 73 GLN N N 73 120.479 120.479 119.152 1.327 25069 1557 1 3 . 1 1 73 73 GLN HA H 73 3.804 3.804 4.058 -0.254 25069 1558 1 3 . 1 1 73 73 GLN C C 73 178.583 178.583 178.260 0.323 25069 1559 1 3 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.403 0.657 25069 1560 1 3 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.485 -0.657 25069 1561 1 3 . 1 1 73 73 GLN H H 73 8.246 8.246 9.051 -0.805 25069 1562 1 3 . 1 1 74 74 GLU N N 74 120.179 120.179 119.506 0.673 25069 1563 1 3 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.053 -0.209 25069 1564 1 3 . 1 1 74 74 GLU C C 74 180.584 180.584 179.311 1.273 25069 1565 1 3 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.176 -0.163 25069 1566 1 3 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.608 0.798 25069 1567 1 3 . 1 1 74 74 GLU H H 74 8.782 8.782 7.931 0.851 25069 1568 1 3 . 1 1 75 75 TYR N N 75 122.109 122.109 121.073 1.036 25069 1569 1 3 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.388 -0.376 25069 1570 1 3 . 1 1 75 75 TYR C C 75 175.383 175.383 177.218 -1.835 25069 1571 1 3 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.745 -0.521 25069 1572 1 3 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.940 -0.150 25069 1573 1 3 . 1 1 75 75 TYR H H 75 8.619 8.619 8.443 0.176 25069 1574 1 3 . 1 1 76 76 SER N N 76 117.790 117.790 115.616 2.174 25069 1575 1 3 . 1 1 76 76 SER HA H 76 3.326 3.326 3.949 -0.623 25069 1576 1 3 . 1 1 76 76 SER C C 76 176.930 176.930 176.796 0.134 25069 1577 1 3 . 1 1 76 76 SER CA C 76 62.377 62.377 62.035 0.342 25069 1578 1 3 . 1 1 76 76 SER CB C 76 62.573 62.573 62.843 -0.270 25069 1579 1 3 . 1 1 76 76 SER H H 76 8.654 8.654 8.322 0.332 25069 1580 1 3 . 1 1 77 77 VAL N N 77 123.033 123.033 123.130 -0.097 25069 1581 1 3 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.785 -0.206 25069 1582 1 3 . 1 1 77 77 VAL C C 77 178.969 178.969 178.093 0.876 25069 1583 1 3 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.733 0.363 25069 1584 1 3 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.428 0.549 25069 1585 1 3 . 1 1 77 77 VAL H H 77 7.844 7.844 8.484 -0.640 25069 1586 1 3 . 1 1 78 78 PHE N N 78 121.473 121.473 122.378 -0.905 25069 1587 1 3 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.295 0.053 25069 1588 1 3 . 1 1 78 78 PHE C C 78 177.726 177.726 177.500 0.226 25069 1589 1 3 . 1 1 78 78 PHE CA C 78 59.329 59.329 59.826 -0.497 25069 1590 1 3 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.824 -0.280 25069 1591 1 3 . 1 1 78 78 PHE H H 78 7.439 7.439 7.600 -0.161 25069 1592 1 3 . 1 1 79 79 LEU N N 79 118.574 118.574 118.369 0.205 25069 1593 1 3 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.082 0.148 25069 1594 1 3 . 1 1 79 79 LEU C C 79 178.837 178.837 178.700 0.137 25069 1595 1 3 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.249 0.481 25069 1596 1 3 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.497 -0.045 25069 1597 1 3 . 1 1 79 79 LEU H H 79 8.298 8.298 7.980 0.318 25069 1598 1 3 . 1 1 80 80 SER N N 80 112.827 112.827 114.856 -2.029 25069 1599 1 3 . 1 1 80 80 SER HA H 80 3.978 3.978 4.083 -0.105 25069 1600 1 3 . 1 1 80 80 SER C C 80 175.796 175.796 176.726 -0.930 25069 1601 1 3 . 1 1 80 80 SER CA C 80 62.278 62.278 61.530 0.748 25069 1602 1 3 . 1 1 80 80 SER CB C 80 63.148 63.148 63.096 0.052 25069 1603 1 3 . 1 1 80 80 SER H H 80 7.728 7.728 7.898 -0.170 25069 1604 1 3 . 1 1 81 81 SER N N 81 117.584 117.584 119.460 -1.876 25069 1605 1 3 . 1 1 81 81 SER HA H 81 4.151 4.151 4.176 -0.025 25069 1606 1 3 . 1 1 81 81 SER C C 81 176.761 176.761 176.845 -0.084 25069 1607 1 3 . 1 1 81 81 SER CA C 81 61.673 61.673 61.227 0.446 25069 1608 1 3 . 1 1 81 81 SER CB C 81 62.441 62.441 62.448 -0.007 25069 1609 1 3 . 1 1 81 81 SER H H 81 7.703 7.703 8.010 -0.307 25069 1610 1 3 . 1 1 82 82 ILE N N 82 122.194 122.194 123.352 -1.158 25069 1611 1 3 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.681 -0.033 25069 1612 1 3 . 1 1 82 82 ILE C C 82 178.743 178.743 177.366 1.377 25069 1613 1 3 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.262 -1.113 25069 1614 1 3 . 1 1 82 82 ILE CB C 82 36.725 36.725 36.951 -0.226 25069 1615 1 3 . 1 1 82 82 ILE H H 82 7.490 7.490 7.915 -0.425 25069 1616 1 3 . 1 1 83 83 ALA N N 83 123.288 123.288 121.966 1.322 25069 1617 1 3 . 1 1 83 83 ALA HA H 83 3.814 3.814 4.000 -0.186 25069 1618 1 3 . 1 1 83 83 ALA C C 83 179.019 179.019 179.756 -0.737 25069 1619 1 3 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.140 0.387 25069 1620 1 3 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.428 -0.779 25069 1621 1 3 . 1 1 83 83 ALA H H 83 8.190 8.190 7.435 0.755 25069 1622 1 3 . 1 1 84 84 MET N N 84 114.549 114.549 115.678 -1.129 25069 1623 1 3 . 1 1 84 84 MET HA H 84 4.660 4.660 4.269 0.391 25069 1624 1 3 . 1 1 84 84 MET C C 84 174.776 174.776 178.187 -3.411 25069 1625 1 3 . 1 1 84 84 MET CA C 84 58.603 58.603 58.624 -0.021 25069 1626 1 3 . 1 1 84 84 MET CB C 84 37.147 37.147 32.683 4.464 25069 1627 1 3 . 1 1 84 84 MET H H 84 8.060 8.060 8.525 -0.465 25069 1628 1 3 . 1 1 85 85 MET N N 85 114.638 114.638 120.500 -5.862 25069 1629 1 3 . 1 1 85 85 MET HA H 85 4.079 4.079 4.630 -0.551 25069 1630 1 3 . 1 1 85 85 MET C C 85 178.153 178.153 178.456 -0.303 25069 1631 1 3 . 1 1 85 85 MET CA C 85 58.444 58.444 58.833 -0.389 25069 1632 1 3 . 1 1 85 85 MET CB C 85 32.523 32.523 32.505 0.018 25069 1633 1 3 . 1 1 85 85 MET H H 85 8.097 8.097 8.465 -0.368 25069 1634 1 3 . 1 1 86 86 SER N N 86 114.719 114.719 115.864 -1.145 25069 1635 1 3 . 1 1 86 86 SER HA H 86 4.184 4.184 4.244 -0.060 25069 1636 1 3 . 1 1 86 86 SER C C 86 176.656 176.656 176.384 0.272 25069 1637 1 3 . 1 1 86 86 SER CA C 86 60.867 60.867 61.628 -0.761 25069 1638 1 3 . 1 1 86 86 SER CB C 86 63.250 63.250 62.873 0.377 25069 1639 1 3 . 1 1 86 86 SER H H 86 8.119 8.119 8.695 -0.576 25069 1640 1 3 . 1 1 87 87 ASN N N 87 119.754 119.754 120.172 -0.418 25069 1641 1 3 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.523 0.055 25069 1642 1 3 . 1 1 87 87 ASN C C 87 176.062 176.062 177.413 -1.351 25069 1643 1 3 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.449 -0.273 25069 1644 1 3 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.873 -0.125 25069 1645 1 3 . 1 1 87 87 ASN H H 87 8.328 8.328 7.796 0.532 25069 1646 1 3 . 1 1 88 88 GLU N N 88 117.928 117.928 119.313 -1.385 25069 1647 1 3 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.012 -0.273 25069 1648 1 3 . 1 1 88 88 GLU C C 88 177.870 177.870 179.147 -1.277 25069 1649 1 3 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.132 -0.200 25069 1650 1 3 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.588 -0.307 25069 1651 1 3 . 1 1 88 88 GLU H H 88 7.747 7.747 8.607 -0.860 25069 1652 1 3 . 1 1 89 89 PHE N N 89 116.133 116.133 116.392 -0.259 25069 1653 1 3 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.484 -0.315 25069 1654 1 3 . 1 1 89 89 PHE C C 89 176.404 176.404 177.040 -0.636 25069 1655 1 3 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.565 -0.509 25069 1656 1 3 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.092 -0.250 25069 1657 1 3 . 1 1 89 89 PHE H H 89 7.465 7.465 8.179 -0.714 25069 1658 1 3 . 1 1 90 90 PHE N N 90 119.130 119.130 121.557 -2.427 25069 1659 1 3 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.253 -0.198 25069 1660 1 3 . 1 1 90 90 PHE C C 90 176.420 176.420 176.732 -0.312 25069 1661 1 3 . 1 1 90 90 PHE CA C 90 59.770 59.770 61.239 -1.469 25069 1662 1 3 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.572 -0.259 25069 1663 1 3 . 1 1 90 90 PHE H H 90 7.537 7.537 8.134 -0.597 25069 1664 1 3 . 1 1 91 91 GLU N N 91 118.971 118.971 117.016 1.955 25069 1665 1 3 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.326 -0.586 25069 1666 1 3 . 1 1 91 91 GLU C C 91 176.491 176.491 177.362 -0.871 25069 1667 1 3 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.060 0.171 25069 1668 1 3 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.546 -0.498 25069 1669 1 3 . 1 1 91 91 GLU H H 91 7.938 7.938 8.075 -0.137 25069 1670 1 3 . 1 1 92 92 GLY N N 92 105.912 105.912 106.882 -0.970 25069 1671 1 3 . 1 1 92 92 GLY C C 92 173.288 173.288 173.813 -0.525 25069 1672 1 3 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.037 0.027 25069 1673 1 3 . 1 1 92 92 GLY H H 92 7.201 7.201 7.798 -0.597 25069 1674 1 3 . 1 1 93 93 PHE N N 93 118.877 118.877 120.597 -1.720 25069 1675 1 3 . 1 1 93 93 PHE C C 93 174.128 174.128 173.125 1.003 25069 1676 1 3 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.664 1.545 25069 1677 1 3 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.519 -2.749 25069 1678 1 3 . 1 1 93 93 PHE H H 93 7.844 7.844 7.529 0.315 25069 1679 1 3 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.345 -0.139 25069 1680 1 3 . 1 1 94 94 PRO C C 94 176.669 176.669 175.463 1.206 25069 1681 1 3 . 1 1 94 94 PRO CA C 94 63.701 63.701 62.830 0.871 25069 1682 1 3 . 1 1 94 94 PRO CB C 94 31.836 31.836 31.698 0.138 25069 1683 1 3 . 1 1 95 95 ASP N N 95 118.031 118.031 122.907 -4.876 25069 1684 1 3 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.486 -0.079 25069 1685 1 3 . 1 1 95 95 ASP C C 95 176.139 176.139 176.572 -0.433 25069 1686 1 3 . 1 1 95 95 ASP CA C 95 54.481 54.481 55.083 -0.602 25069 1687 1 3 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.657 -0.636 25069 1688 1 3 . 1 1 95 95 ASP H H 95 8.144 8.144 8.436 -0.292 25069 1689 1 3 . 1 1 96 96 LYS N N 96 119.472 119.472 117.537 1.935 25069 1690 1 3 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.232 -0.095 25069 1691 1 3 . 1 1 96 96 LYS C C 96 176.212 176.212 176.299 -0.087 25069 1692 1 3 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.324 -1.145 25069 1693 1 3 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.413 0.370 25069 1694 1 3 . 1 1 96 96 LYS H H 96 7.980 7.980 8.197 -0.217 25069 1695 1 3 . 1 1 97 97 GLN N N 97 120.185 120.185 119.114 1.071 25069 1696 1 3 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.766 -0.345 25069 1697 1 3 . 1 1 97 97 GLN C C 97 173.700 173.700 174.284 -0.584 25069 1698 1 3 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.157 1.646 25069 1699 1 3 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.680 1.052 25069 1700 1 3 . 1 1 97 97 GLN H H 97 8.007 8.007 7.606 0.401 25069 1701 1 3 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.455 -0.212 25069 1702 1 3 . 1 1 98 98 PRO C C 98 176.605 176.605 176.520 0.085 25069 1703 1 3 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.629 -0.615 25069 1704 1 3 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.526 0.411 25069 1705 1 3 . 1 1 99 99 ARG N N 99 120.677 120.677 114.184 6.493 25069 1706 1 3 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.906 0.239 25069 1707 1 3 . 1 1 99 99 ARG C C 99 176.053 176.053 175.553 0.500 25069 1708 1 3 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.339 -1.367 25069 1709 1 3 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.753 2.141 25069 1710 1 3 . 1 1 99 99 ARG H H 99 8.254 8.254 8.041 0.213 25069 1711 1 3 . 1 1 100 100 LYS N N 100 122.775 122.775 117.648 5.127 25069 1712 1 3 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.303 -0.159 25069 1713 1 3 . 1 1 100 100 LYS C C 100 175.376 175.376 175.275 0.101 25069 1714 1 3 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.306 -0.910 25069 1715 1 3 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.480 -0.190 25069 1716 1 3 . 1 1 100 100 LYS H H 100 8.230 8.230 7.994 0.236 25069 1717 1 4 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.589 -0.380 25069 1718 1 4 . 1 1 2 2 ALA C C 2 173.983 173.983 177.246 -3.263 25069 1719 1 4 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.353 0.249 25069 1720 1 4 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.564 2.312 25069 1721 1 4 . 1 1 3 3 SER N N 3 121.630 121.630 120.627 1.003 25069 1722 1 4 . 1 1 3 3 SER C C 3 172.689 172.689 173.922 -1.233 25069 1723 1 4 . 1 1 3 3 SER CA C 3 56.943 56.943 58.425 -1.482 25069 1724 1 4 . 1 1 3 3 SER CB C 3 63.102 63.102 61.871 1.231 25069 1725 1 4 . 1 1 3 3 SER H H 3 9.907 9.907 7.812 2.095 25069 1726 1 4 . 1 1 4 4 PRO C C 4 179.695 179.695 177.833 1.862 25069 1727 1 4 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.658 0.076 25069 1728 1 4 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.491 0.290 25069 1729 1 4 . 1 1 5 5 LEU N N 5 118.522 118.522 118.482 0.040 25069 1730 1 4 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.998 0.033 25069 1731 1 4 . 1 1 5 5 LEU C C 5 177.968 177.968 178.414 -0.446 25069 1732 1 4 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.242 -0.595 25069 1733 1 4 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.804 0.831 25069 1734 1 4 . 1 1 5 5 LEU H H 5 8.277 8.277 7.449 0.828 25069 1735 1 4 . 1 1 6 6 GLU N N 6 118.997 118.997 118.683 0.314 25069 1736 1 4 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.987 -0.291 25069 1737 1 4 . 1 1 6 6 GLU C C 6 180.177 180.177 179.337 0.840 25069 1738 1 4 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.522 0.817 25069 1739 1 4 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.131 0.703 25069 1740 1 4 . 1 1 6 6 GLU H H 6 8.130 8.130 7.814 0.316 25069 1741 1 4 . 1 1 7 7 LYS N N 7 117.838 117.838 117.690 0.148 25069 1742 1 4 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.171 -0.175 25069 1743 1 4 . 1 1 7 7 LYS C C 7 178.764 178.764 178.813 -0.049 25069 1744 1 4 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.032 1.324 25069 1745 1 4 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.820 0.339 25069 1746 1 4 . 1 1 7 7 LYS H H 7 8.341 8.341 7.759 0.582 25069 1747 1 4 . 1 1 8 8 ALA N N 8 122.327 122.327 122.135 0.192 25069 1748 1 4 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.216 -0.237 25069 1749 1 4 . 1 1 8 8 ALA C C 8 179.482 179.482 179.398 0.084 25069 1750 1 4 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.455 0.713 25069 1751 1 4 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.080 0.214 25069 1752 1 4 . 1 1 8 8 ALA H H 8 8.082 8.082 7.883 0.199 25069 1753 1 4 . 1 1 9 9 LEU N N 9 118.212 118.212 118.609 -0.397 25069 1754 1 4 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.888 0.059 25069 1755 1 4 . 1 1 9 9 LEU C C 9 178.844 178.844 178.717 0.127 25069 1756 1 4 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.620 0.589 25069 1757 1 4 . 1 1 9 9 LEU CB C 9 41.616 41.616 40.993 0.623 25069 1758 1 4 . 1 1 9 9 LEU H H 9 8.042 8.042 7.896 0.146 25069 1759 1 4 . 1 1 10 10 ASP N N 10 117.997 117.997 119.542 -1.545 25069 1760 1 4 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.445 -0.058 25069 1761 1 4 . 1 1 10 10 ASP C C 10 179.582 179.582 178.727 0.855 25069 1762 1 4 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.569 0.201 25069 1763 1 4 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.172 -0.178 25069 1764 1 4 . 1 1 10 10 ASP H H 10 7.587 7.587 7.615 -0.028 25069 1765 1 4 . 1 1 11 11 VAL N N 11 120.702 120.702 119.696 1.006 25069 1766 1 4 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.874 -0.137 25069 1767 1 4 . 1 1 11 11 VAL C C 11 180.061 180.061 178.266 1.795 25069 1768 1 4 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.509 0.635 25069 1769 1 4 . 1 1 11 11 VAL CB C 11 31.626 31.626 30.840 0.785 25069 1770 1 4 . 1 1 11 11 VAL H H 11 8.099 8.099 7.728 0.371 25069 1771 1 4 . 1 1 12 12 MET N N 12 123.185 123.185 120.747 2.438 25069 1772 1 4 . 1 1 12 12 MET HA H 12 3.921 3.921 4.352 -0.431 25069 1773 1 4 . 1 1 12 12 MET C C 12 178.871 178.871 178.211 0.660 25069 1774 1 4 . 1 1 12 12 MET CA C 12 60.784 60.784 57.168 3.616 25069 1775 1 4 . 1 1 12 12 MET CB C 12 32.579 32.579 31.637 0.942 25069 1776 1 4 . 1 1 12 12 MET H H 12 8.454 8.454 7.980 0.474 25069 1777 1 4 . 1 1 13 13 VAL N N 13 118.900 118.900 120.072 -1.172 25069 1778 1 4 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.803 0.122 25069 1779 1 4 . 1 1 13 13 VAL C C 13 177.712 177.712 178.157 -0.445 25069 1780 1 4 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.750 -1.070 25069 1781 1 4 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.410 1.837 25069 1782 1 4 . 1 1 13 13 VAL H H 13 8.117 8.117 7.793 0.324 25069 1783 1 4 . 1 1 14 14 SER N N 14 114.675 114.675 115.489 -0.814 25069 1784 1 4 . 1 1 14 14 SER HA H 14 3.966 3.966 4.229 -0.263 25069 1785 1 4 . 1 1 14 14 SER C C 14 178.306 178.306 176.569 1.737 25069 1786 1 4 . 1 1 14 14 SER CA C 14 61.937 61.937 61.074 0.863 25069 1787 1 4 . 1 1 14 14 SER CB C 14 62.474 62.474 63.155 -0.681 25069 1788 1 4 . 1 1 14 14 SER H H 14 8.935 8.935 7.662 1.273 25069 1789 1 4 . 1 1 15 15 THR N N 15 117.582 117.582 119.126 -1.544 25069 1790 1 4 . 1 1 15 15 THR HA H 15 4.190 4.190 3.944 0.246 25069 1791 1 4 . 1 1 15 15 THR C C 15 174.459 174.459 175.863 -1.404 25069 1792 1 4 . 1 1 15 15 THR CA C 15 67.683 67.683 66.611 1.072 25069 1793 1 4 . 1 1 15 15 THR CB C 15 68.187 68.187 68.598 -0.411 25069 1794 1 4 . 1 1 15 15 THR H H 15 8.543 8.543 8.291 0.252 25069 1795 1 4 . 1 1 16 16 PHE N N 16 118.606 118.606 122.724 -4.118 25069 1796 1 4 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.788 -0.419 25069 1797 1 4 . 1 1 16 16 PHE C C 16 176.480 176.480 176.436 0.044 25069 1798 1 4 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.983 0.498 25069 1799 1 4 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.709 0.527 25069 1800 1 4 . 1 1 16 16 PHE H H 16 6.809 6.809 8.316 -1.507 25069 1801 1 4 . 1 1 17 17 HIS N N 17 114.536 114.536 117.155 -2.619 25069 1802 1 4 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.012 0.714 25069 1803 1 4 . 1 1 17 17 HIS C C 17 177.124 177.124 176.632 0.492 25069 1804 1 4 . 1 1 17 17 HIS CA C 17 57.727 57.727 56.947 0.781 25069 1805 1 4 . 1 1 17 17 HIS CB C 17 30.148 30.148 28.823 1.325 25069 1806 1 4 . 1 1 17 17 HIS H H 17 6.955 6.955 7.860 -0.905 25069 1807 1 4 . 1 1 18 18 LYS N N 18 120.739 120.739 119.273 1.466 25069 1808 1 4 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.982 -0.264 25069 1809 1 4 . 1 1 18 18 LYS C C 18 177.006 177.006 177.859 -0.853 25069 1810 1 4 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.940 -0.072 25069 1811 1 4 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.212 -0.098 25069 1812 1 4 . 1 1 18 18 LYS H H 18 7.820 7.820 7.209 0.611 25069 1813 1 4 . 1 1 19 19 TYR N N 19 112.545 112.545 116.328 -3.783 25069 1814 1 4 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.316 -0.177 25069 1815 1 4 . 1 1 19 19 TYR C C 19 176.218 176.218 177.549 -1.331 25069 1816 1 4 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.190 -0.292 25069 1817 1 4 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.967 1.490 25069 1818 1 4 . 1 1 19 19 TYR H H 19 6.730 6.730 7.611 -0.881 25069 1819 1 4 . 1 1 20 20 SER N N 20 113.404 113.404 114.387 -0.983 25069 1820 1 4 . 1 1 20 20 SER HA H 20 3.385 3.385 4.416 -1.031 25069 1821 1 4 . 1 1 20 20 SER C C 20 176.961 176.961 175.860 1.101 25069 1822 1 4 . 1 1 20 20 SER CA C 20 61.866 61.866 59.977 1.889 25069 1823 1 4 . 1 1 20 20 SER CB C 20 60.904 60.904 62.867 -1.963 25069 1824 1 4 . 1 1 20 20 SER H H 20 8.493 8.493 7.991 0.502 25069 1825 1 4 . 1 1 21 21 GLY N N 21 109.001 109.001 108.582 0.419 25069 1826 1 4 . 1 1 21 21 GLY C C 21 173.502 173.502 174.303 -0.801 25069 1827 1 4 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.758 0.781 25069 1828 1 4 . 1 1 21 21 GLY H H 21 7.512 7.512 7.417 0.095 25069 1829 1 4 . 1 1 22 22 LYS N N 22 120.754 120.754 118.704 2.050 25069 1830 1 4 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.360 -0.565 25069 1831 1 4 . 1 1 22 22 LYS C C 22 177.354 177.354 176.534 0.820 25069 1832 1 4 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.902 3.105 25069 1833 1 4 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.723 -0.740 25069 1834 1 4 . 1 1 22 22 LYS H H 22 6.958 6.958 8.046 -1.088 25069 1835 1 4 . 1 1 23 23 GLU N N 23 115.305 115.305 119.407 -4.102 25069 1836 1 4 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.419 0.039 25069 1837 1 4 . 1 1 23 23 GLU C C 23 176.733 176.733 176.397 0.336 25069 1838 1 4 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.175 -0.740 25069 1839 1 4 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.616 2.738 25069 1840 1 4 . 1 1 23 23 GLU H H 23 9.425 9.425 8.676 0.749 25069 1841 1 4 . 1 1 24 24 GLY N N 24 112.542 112.542 115.674 -3.132 25069 1842 1 4 . 1 1 24 24 GLY C C 24 173.486 173.486 174.360 -0.874 25069 1843 1 4 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.114 0.228 25069 1844 1 4 . 1 1 24 24 GLY H H 24 8.879 8.879 8.650 0.229 25069 1845 1 4 . 1 1 25 25 ASP N N 25 125.117 125.117 121.958 3.159 25069 1846 1 4 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.930 -0.647 25069 1847 1 4 . 1 1 25 25 ASP C C 25 179.177 179.177 176.117 3.060 25069 1848 1 4 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.954 2.160 25069 1849 1 4 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.436 -0.700 25069 1850 1 4 . 1 1 25 25 ASP H H 25 8.423 8.423 8.064 0.359 25069 1851 1 4 . 1 1 26 26 LYS N N 26 131.175 131.175 116.822 14.353 25069 1852 1 4 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.518 -0.322 25069 1853 1 4 . 1 1 26 26 LYS C C 26 176.638 176.638 175.764 0.874 25069 1854 1 4 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.216 1.752 25069 1855 1 4 . 1 1 26 26 LYS CB C 26 31.223 31.223 34.453 -3.230 25069 1856 1 4 . 1 1 26 26 LYS H H 26 9.247 9.247 8.647 0.600 25069 1857 1 4 . 1 1 27 27 PHE N N 27 118.593 118.593 118.235 0.358 25069 1858 1 4 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.072 -0.373 25069 1859 1 4 . 1 1 27 27 PHE C C 27 173.452 173.452 174.019 -0.567 25069 1860 1 4 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.980 -1.948 25069 1861 1 4 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.932 -1.841 25069 1862 1 4 . 1 1 27 27 PHE H H 27 9.335 9.335 8.913 0.422 25069 1863 1 4 . 1 1 28 28 LYS N N 28 113.854 113.854 119.317 -5.463 25069 1864 1 4 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.442 -0.438 25069 1865 1 4 . 1 1 28 28 LYS C C 28 174.468 174.468 174.702 -0.234 25069 1866 1 4 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.956 0.331 25069 1867 1 4 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.631 1.387 25069 1868 1 4 . 1 1 28 28 LYS H H 28 6.985 6.985 7.566 -0.581 25069 1869 1 4 . 1 1 29 29 LEU N N 29 124.858 124.858 123.241 1.617 25069 1870 1 4 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.968 0.045 25069 1871 1 4 . 1 1 29 29 LEU C C 29 175.791 175.791 176.400 -0.609 25069 1872 1 4 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.091 -0.492 25069 1873 1 4 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.609 0.948 25069 1874 1 4 . 1 1 29 29 LEU H H 29 9.454 9.454 8.975 0.479 25069 1875 1 4 . 1 1 30 30 ASN N N 30 122.896 122.896 122.342 0.554 25069 1876 1 4 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.059 -0.481 25069 1877 1 4 . 1 1 30 30 ASN C C 30 174.969 174.969 176.602 -1.633 25069 1878 1 4 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.103 -1.005 25069 1879 1 4 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.566 -2.208 25069 1880 1 4 . 1 1 30 30 ASN H H 30 9.560 9.560 8.107 1.453 25069 1881 1 4 . 1 1 31 31 LYS N N 31 115.136 115.136 119.896 -4.760 25069 1882 1 4 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.876 -0.006 25069 1883 1 4 . 1 1 31 31 LYS C C 31 177.992 177.992 178.725 -0.733 25069 1884 1 4 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.662 0.373 25069 1885 1 4 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.066 0.139 25069 1886 1 4 . 1 1 31 31 LYS H H 31 8.204 8.204 8.847 -0.643 25069 1887 1 4 . 1 1 32 32 SER N N 32 113.755 113.755 115.477 -1.722 25069 1888 1 4 . 1 1 32 32 SER HA H 32 3.939 3.939 4.032 -0.093 25069 1889 1 4 . 1 1 32 32 SER C C 32 177.484 177.484 176.424 1.060 25069 1890 1 4 . 1 1 32 32 SER CA C 32 61.374 61.374 61.831 -0.457 25069 1891 1 4 . 1 1 32 32 SER CB C 32 62.733 62.733 62.820 -0.087 25069 1892 1 4 . 1 1 32 32 SER H H 32 7.575 7.575 8.224 -0.649 25069 1893 1 4 . 1 1 33 33 GLU N N 33 122.657 122.657 122.412 0.245 25069 1894 1 4 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.059 -0.146 25069 1895 1 4 . 1 1 33 33 GLU C C 33 178.560 178.560 178.914 -0.354 25069 1896 1 4 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.662 0.180 25069 1897 1 4 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.752 1.447 25069 1898 1 4 . 1 1 33 33 GLU H H 33 8.608 8.608 7.623 0.985 25069 1899 1 4 . 1 1 34 34 LEU N N 34 117.375 117.375 122.064 -4.689 25069 1900 1 4 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.855 -0.050 25069 1901 1 4 . 1 1 34 34 LEU C C 34 177.693 177.693 178.216 -0.523 25069 1902 1 4 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.611 -0.835 25069 1903 1 4 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.851 -0.154 25069 1904 1 4 . 1 1 34 34 LEU H H 34 8.859 8.859 8.773 0.086 25069 1905 1 4 . 1 1 35 35 LYS N N 35 117.418 117.418 118.806 -1.388 25069 1906 1 4 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.219 0.307 25069 1907 1 4 . 1 1 35 35 LYS C C 35 179.129 179.129 178.626 0.503 25069 1908 1 4 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.119 0.047 25069 1909 1 4 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.637 0.122 25069 1910 1 4 . 1 1 35 35 LYS H H 35 7.901 7.901 8.124 -0.223 25069 1911 1 4 . 1 1 36 36 GLU N N 36 120.491 120.491 119.520 0.971 25069 1912 1 4 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.081 -0.362 25069 1913 1 4 . 1 1 36 36 GLU C C 36 176.354 176.354 179.390 -3.036 25069 1914 1 4 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.052 0.917 25069 1915 1 4 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.792 -0.399 25069 1916 1 4 . 1 1 36 36 GLU H H 36 7.619 7.619 7.554 0.065 25069 1917 1 4 . 1 1 37 37 LEU N N 37 120.058 120.058 122.178 -2.120 25069 1918 1 4 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.269 -0.844 25069 1919 1 4 . 1 1 37 37 LEU C C 37 179.412 179.412 178.481 0.931 25069 1920 1 4 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.797 1.639 25069 1921 1 4 . 1 1 37 37 LEU CB C 37 41.804 41.804 42.028 -0.224 25069 1922 1 4 . 1 1 37 37 LEU H H 37 7.762 7.762 8.471 -0.709 25069 1923 1 4 . 1 1 38 38 LEU N N 38 116.987 116.987 119.456 -2.469 25069 1924 1 4 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.129 -0.464 25069 1925 1 4 . 1 1 38 38 LEU C C 38 178.279 178.279 179.923 -1.644 25069 1926 1 4 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.381 0.297 25069 1927 1 4 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.834 1.480 25069 1928 1 4 . 1 1 38 38 LEU H H 38 8.532 8.532 8.721 -0.189 25069 1929 1 4 . 1 1 39 39 THR N N 39 108.650 108.650 111.054 -2.404 25069 1930 1 4 . 1 1 39 39 THR HA H 39 3.693 3.693 4.095 -0.402 25069 1931 1 4 . 1 1 39 39 THR C C 39 176.231 176.231 177.011 -0.780 25069 1932 1 4 . 1 1 39 39 THR CA C 39 65.997 65.997 66.378 -0.381 25069 1933 1 4 . 1 1 39 39 THR CB C 39 69.618 69.618 68.559 1.059 25069 1934 1 4 . 1 1 39 39 THR H H 39 7.883 7.883 8.716 -0.833 25069 1935 1 4 . 1 1 40 40 ARG N N 40 115.482 115.482 119.685 -4.203 25069 1936 1 4 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.305 -0.153 25069 1937 1 4 . 1 1 40 40 ARG C C 40 178.520 178.520 178.304 0.216 25069 1938 1 4 . 1 1 40 40 ARG CA C 40 58.035 58.035 57.974 0.061 25069 1939 1 4 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.853 0.392 25069 1940 1 4 . 1 1 40 40 ARG H H 40 8.015 8.015 7.704 0.311 25069 1941 1 4 . 1 1 41 41 GLU N N 41 112.106 112.106 117.419 -5.313 25069 1942 1 4 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.326 0.508 25069 1943 1 4 . 1 1 41 41 GLU C C 41 177.856 177.856 177.176 0.680 25069 1944 1 4 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.963 -1.765 25069 1945 1 4 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.673 -0.352 25069 1946 1 4 . 1 1 41 41 GLU H H 41 8.463 8.463 8.506 -0.043 25069 1947 1 4 . 1 1 42 42 LEU N N 42 119.287 119.287 121.469 -2.182 25069 1948 1 4 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.954 0.098 25069 1949 1 4 . 1 1 42 42 LEU C C 42 174.457 174.457 174.513 -0.056 25069 1950 1 4 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.334 0.504 25069 1951 1 4 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.195 1.888 25069 1952 1 4 . 1 1 42 42 LEU H H 42 7.688 7.688 7.626 0.062 25069 1953 1 4 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.388 -0.184 25069 1954 1 4 . 1 1 43 43 PRO C C 43 179.969 179.969 178.412 1.557 25069 1955 1 4 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.753 -0.064 25069 1956 1 4 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.980 -1.153 25069 1957 1 4 . 1 1 44 44 SER N N 44 114.352 114.352 112.825 1.527 25069 1958 1 4 . 1 1 44 44 SER HA H 44 4.093 4.093 4.238 -0.145 25069 1959 1 4 . 1 1 44 44 SER C C 44 175.709 175.709 176.275 -0.566 25069 1960 1 4 . 1 1 44 44 SER CA C 44 60.793 60.793 60.960 -0.167 25069 1961 1 4 . 1 1 44 44 SER CB C 44 62.400 62.400 62.870 -0.470 25069 1962 1 4 . 1 1 44 44 SER H H 44 8.674 8.674 8.261 0.413 25069 1963 1 4 . 1 1 45 45 PHE N N 45 121.558 121.558 121.971 -0.413 25069 1964 1 4 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.295 -0.143 25069 1965 1 4 . 1 1 45 45 PHE C C 45 176.441 176.441 177.095 -0.654 25069 1966 1 4 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.958 -0.624 25069 1967 1 4 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.192 0.597 25069 1968 1 4 . 1 1 45 45 PHE H H 45 7.952 7.952 8.322 -0.370 25069 1969 1 4 . 1 1 46 46 LEU N N 46 117.590 117.590 115.340 2.250 25069 1970 1 4 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.287 -0.451 25069 1971 1 4 . 1 1 46 46 LEU C C 46 178.236 178.236 179.297 -1.061 25069 1972 1 4 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.933 1.211 25069 1973 1 4 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.699 0.817 25069 1974 1 4 . 1 1 46 46 LEU H H 46 7.906 7.906 7.899 0.007 25069 1975 1 4 . 1 1 47 47 GLY N N 47 104.817 104.817 109.946 -5.129 25069 1976 1 4 . 1 1 47 47 GLY C C 47 174.665 174.665 175.627 -0.962 25069 1977 1 4 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.789 -0.805 25069 1978 1 4 . 1 1 47 47 GLY H H 47 7.646 7.646 7.829 -0.183 25069 1979 1 4 . 1 1 48 48 LYS N N 48 120.422 120.422 118.987 1.435 25069 1980 1 4 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.183 -0.031 25069 1981 1 4 . 1 1 48 48 LYS C C 48 177.029 177.029 176.506 0.523 25069 1982 1 4 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.343 0.137 25069 1983 1 4 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.993 -0.741 25069 1984 1 4 . 1 1 48 48 LYS H H 48 8.400 8.400 7.312 1.088 25069 1985 1 4 . 1 1 49 49 ARG N N 49 119.815 119.815 118.952 0.863 25069 1986 1 4 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.430 -0.127 25069 1987 1 4 . 1 1 49 49 ARG C C 49 175.183 175.183 174.016 1.167 25069 1988 1 4 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.739 -0.040 25069 1989 1 4 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.756 -1.249 25069 1990 1 4 . 1 1 49 49 ARG H H 49 7.801 7.801 7.756 0.045 25069 1991 1 4 . 1 1 50 50 THR N N 50 110.525 110.525 113.464 -2.939 25069 1992 1 4 . 1 1 50 50 THR HA H 50 4.091 4.091 4.294 -0.203 25069 1993 1 4 . 1 1 50 50 THR C C 50 174.108 174.108 173.736 0.372 25069 1994 1 4 . 1 1 50 50 THR CA C 50 61.579 61.579 61.131 0.448 25069 1995 1 4 . 1 1 50 50 THR CB C 50 69.136 69.136 69.009 0.127 25069 1996 1 4 . 1 1 50 50 THR H H 50 7.808 7.808 8.111 -0.303 25069 1997 1 4 . 1 1 51 51 ASP N N 51 121.073 121.073 126.925 -5.852 25069 1998 1 4 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.862 -0.302 25069 1999 1 4 . 1 1 51 51 ASP C C 51 175.715 175.715 175.963 -0.248 25069 2000 1 4 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.032 0.022 25069 2001 1 4 . 1 1 51 51 ASP CB C 51 41.811 41.811 44.425 -2.614 25069 2002 1 4 . 1 1 51 51 ASP H H 51 7.924 7.924 7.977 -0.053 25069 2003 1 4 . 1 1 52 52 GLU N N 52 120.418 120.418 122.111 -1.693 25069 2004 1 4 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.358 -0.316 25069 2005 1 4 . 1 1 52 52 GLU C C 52 178.726 178.726 178.601 0.125 25069 2006 1 4 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.067 -0.507 25069 2007 1 4 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.826 -0.442 25069 2008 1 4 . 1 1 52 52 GLU H H 52 8.515 8.515 9.033 -0.518 25069 2009 1 4 . 1 1 53 53 ALA N N 53 120.807 120.807 122.763 -1.956 25069 2010 1 4 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.173 -0.137 25069 2011 1 4 . 1 1 53 53 ALA C C 53 180.416 180.416 179.596 0.820 25069 2012 1 4 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.923 0.218 25069 2013 1 4 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.032 -0.087 25069 2014 1 4 . 1 1 53 53 ALA H H 53 8.242 8.242 8.432 -0.190 25069 2015 1 4 . 1 1 54 54 ALA N N 54 121.069 121.069 121.968 -0.899 25069 2016 1 4 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.172 -0.245 25069 2017 1 4 . 1 1 54 54 ALA C C 54 180.846 180.846 179.676 1.170 25069 2018 1 4 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.647 0.330 25069 2019 1 4 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.096 0.240 25069 2020 1 4 . 1 1 54 54 ALA H H 54 7.874 7.874 8.109 -0.235 25069 2021 1 4 . 1 1 55 55 PHE N N 55 118.066 118.066 118.943 -0.877 25069 2022 1 4 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.105 -0.138 25069 2023 1 4 . 1 1 55 55 PHE C C 55 177.160 177.160 177.896 -0.736 25069 2024 1 4 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.335 -0.306 25069 2025 1 4 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.480 0.353 25069 2026 1 4 . 1 1 55 55 PHE H H 55 8.013 8.013 8.781 -0.768 25069 2027 1 4 . 1 1 56 56 GLN N N 56 118.474 118.474 119.143 -0.669 25069 2028 1 4 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.022 -0.282 25069 2029 1 4 . 1 1 56 56 GLN C C 56 178.531 178.531 178.260 0.271 25069 2030 1 4 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.144 -0.312 25069 2031 1 4 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.243 -0.389 25069 2032 1 4 . 1 1 56 56 GLN H H 56 8.265 8.265 8.598 -0.333 25069 2033 1 4 . 1 1 57 57 LYS N N 57 119.207 119.207 120.391 -1.184 25069 2034 1 4 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.061 -0.208 25069 2035 1 4 . 1 1 57 57 LYS C C 57 178.458 178.458 179.187 -0.729 25069 2036 1 4 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.309 -0.232 25069 2037 1 4 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.048 0.086 25069 2038 1 4 . 1 1 57 57 LYS H H 57 7.622 7.622 8.096 -0.474 25069 2039 1 4 . 1 1 58 58 LEU N N 58 119.398 119.398 121.155 -1.757 25069 2040 1 4 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.969 -0.064 25069 2041 1 4 . 1 1 58 58 LEU C C 58 178.444 178.444 178.331 0.113 25069 2042 1 4 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.868 0.252 25069 2043 1 4 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.788 -0.134 25069 2044 1 4 . 1 1 58 58 LEU H H 58 7.504 7.504 8.365 -0.861 25069 2045 1 4 . 1 1 59 59 MET N N 59 116.434 116.434 119.681 -3.247 25069 2046 1 4 . 1 1 59 59 MET HA H 59 3.614 3.614 3.856 -0.242 25069 2047 1 4 . 1 1 59 59 MET C C 59 177.513 177.513 177.980 -0.467 25069 2048 1 4 . 1 1 59 59 MET CA C 59 58.765 58.765 60.048 -1.283 25069 2049 1 4 . 1 1 59 59 MET CB C 59 31.060 31.060 32.446 -1.385 25069 2050 1 4 . 1 1 59 59 MET H H 59 8.049 8.049 8.765 -0.716 25069 2051 1 4 . 1 1 60 60 SER N N 60 111.447 111.447 113.843 -2.396 25069 2052 1 4 . 1 1 60 60 SER HA H 60 4.066 4.066 4.071 -0.005 25069 2053 1 4 . 1 1 60 60 SER C C 60 175.986 175.986 176.455 -0.469 25069 2054 1 4 . 1 1 60 60 SER CA C 60 61.416 61.416 61.303 0.113 25069 2055 1 4 . 1 1 60 60 SER CB C 60 62.945 62.945 62.965 -0.020 25069 2056 1 4 . 1 1 60 60 SER H H 60 7.839 7.839 8.343 -0.504 25069 2057 1 4 . 1 1 61 61 ASN N N 61 117.559 117.559 119.450 -1.891 25069 2058 1 4 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.572 -0.222 25069 2059 1 4 . 1 1 61 61 ASN C C 61 176.377 176.377 177.136 -0.759 25069 2060 1 4 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.254 -0.251 25069 2061 1 4 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.612 0.261 25069 2062 1 4 . 1 1 61 61 ASN H H 61 7.615 7.615 7.803 -0.188 25069 2063 1 4 . 1 1 62 62 LEU N N 62 117.926 117.926 116.979 0.947 25069 2064 1 4 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.215 -0.187 25069 2065 1 4 . 1 1 62 62 LEU C C 62 178.394 178.394 178.097 0.297 25069 2066 1 4 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.522 0.476 25069 2067 1 4 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.199 1.203 25069 2068 1 4 . 1 1 62 62 LEU H H 62 7.719 7.719 8.023 -0.304 25069 2069 1 4 . 1 1 63 63 ASP N N 63 115.899 115.899 118.508 -2.609 25069 2070 1 4 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.518 0.050 25069 2071 1 4 . 1 1 63 63 ASP C C 63 176.866 176.866 176.310 0.556 25069 2072 1 4 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.238 -1.498 25069 2073 1 4 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.037 -0.551 25069 2074 1 4 . 1 1 63 63 ASP H H 63 7.707 7.707 8.299 -0.592 25069 2075 1 4 . 1 1 64 64 SER N N 64 121.158 121.158 121.220 -0.062 25069 2076 1 4 . 1 1 64 64 SER HA H 64 4.080 4.080 4.364 -0.284 25069 2077 1 4 . 1 1 64 64 SER C C 64 175.780 175.780 175.608 0.172 25069 2078 1 4 . 1 1 64 64 SER CA C 64 60.698 60.698 59.842 0.856 25069 2079 1 4 . 1 1 64 64 SER CB C 64 63.034 63.034 63.466 -0.432 25069 2080 1 4 . 1 1 64 64 SER H H 64 8.034 8.034 9.028 -0.994 25069 2081 1 4 . 1 1 65 65 ASN N N 65 115.443 115.443 118.804 -3.361 25069 2082 1 4 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.652 0.012 25069 2083 1 4 . 1 1 65 65 ASN C C 65 174.775 174.775 174.855 -0.080 25069 2084 1 4 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.517 -1.518 25069 2085 1 4 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.860 -1.689 25069 2086 1 4 . 1 1 65 65 ASN H H 65 8.055 8.055 7.859 0.196 25069 2087 1 4 . 1 1 66 66 ARG N N 66 114.242 114.242 116.621 -2.379 25069 2088 1 4 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.360 -0.433 25069 2089 1 4 . 1 1 66 66 ARG C C 66 175.354 175.354 175.394 -0.040 25069 2090 1 4 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.029 0.130 25069 2091 1 4 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.121 -0.268 25069 2092 1 4 . 1 1 66 66 ARG H H 66 7.560 7.560 7.553 0.007 25069 2093 1 4 . 1 1 67 67 ASP N N 67 118.260 118.260 119.936 -1.676 25069 2094 1 4 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.668 -0.066 25069 2095 1 4 . 1 1 67 67 ASP C C 67 177.143 177.143 176.254 0.889 25069 2096 1 4 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.616 -0.597 25069 2097 1 4 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.649 -0.945 25069 2098 1 4 . 1 1 67 67 ASP H H 67 8.406 8.406 8.842 -0.436 25069 2099 1 4 . 1 1 68 68 ASN N N 68 115.091 115.091 115.852 -0.761 25069 2100 1 4 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.440 -0.461 25069 2101 1 4 . 1 1 68 68 ASN C C 68 173.046 173.046 173.053 -0.007 25069 2102 1 4 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.471 0.866 25069 2103 1 4 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.745 0.145 25069 2104 1 4 . 1 1 68 68 ASN H H 68 10.021 10.021 9.036 0.985 25069 2105 1 4 . 1 1 69 69 GLU N N 69 115.671 115.671 116.417 -0.746 25069 2106 1 4 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.889 -0.191 25069 2107 1 4 . 1 1 69 69 GLU C C 69 175.335 175.335 175.237 0.098 25069 2108 1 4 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.094 -0.223 25069 2109 1 4 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.068 2.565 25069 2110 1 4 . 1 1 69 69 GLU H H 69 7.724 7.724 7.650 0.074 25069 2111 1 4 . 1 1 70 70 VAL N N 70 124.606 124.606 125.609 -1.003 25069 2112 1 4 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.184 0.951 25069 2113 1 4 . 1 1 70 70 VAL C C 70 175.876 175.876 175.679 0.197 25069 2114 1 4 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.029 -0.887 25069 2115 1 4 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.135 1.422 25069 2116 1 4 . 1 1 70 70 VAL H H 70 9.814 9.814 8.769 1.045 25069 2117 1 4 . 1 1 71 71 ASP N N 71 127.612 127.612 128.244 -0.632 25069 2118 1 4 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.156 -0.131 25069 2119 1 4 . 1 1 71 71 ASP C C 71 175.018 175.018 177.523 -2.505 25069 2120 1 4 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.639 -1.079 25069 2121 1 4 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.387 -0.408 25069 2122 1 4 . 1 1 71 71 ASP H H 71 8.896 8.896 8.393 0.503 25069 2123 1 4 . 1 1 72 72 PHE N N 72 117.738 117.738 120.354 -2.616 25069 2124 1 4 . 1 1 72 72 PHE C C 72 177.390 177.390 177.585 -0.195 25069 2125 1 4 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.714 0.312 25069 2126 1 4 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.948 0.280 25069 2127 1 4 . 1 1 72 72 PHE H H 72 8.993 8.993 9.101 -0.108 25069 2128 1 4 . 1 1 73 73 GLN N N 73 120.479 120.479 118.034 2.445 25069 2129 1 4 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.954 -0.150 25069 2130 1 4 . 1 1 73 73 GLN C C 73 178.583 178.583 178.169 0.414 25069 2131 1 4 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.278 0.782 25069 2132 1 4 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.593 -0.765 25069 2133 1 4 . 1 1 73 73 GLN H H 73 8.246 8.246 9.027 -0.781 25069 2134 1 4 . 1 1 74 74 GLU N N 74 120.179 120.179 119.040 1.139 25069 2135 1 4 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.064 -0.220 25069 2136 1 4 . 1 1 74 74 GLU C C 74 180.584 180.584 179.306 1.278 25069 2137 1 4 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.170 -0.157 25069 2138 1 4 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.330 1.076 25069 2139 1 4 . 1 1 74 74 GLU H H 74 8.782 8.782 8.992 -0.210 25069 2140 1 4 . 1 1 75 75 TYR N N 75 122.109 122.109 121.458 0.651 25069 2141 1 4 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.420 -0.408 25069 2142 1 4 . 1 1 75 75 TYR C C 75 175.383 175.383 177.414 -2.031 25069 2143 1 4 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.340 -1.117 25069 2144 1 4 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.655 0.135 25069 2145 1 4 . 1 1 75 75 TYR H H 75 8.619 8.619 8.627 -0.008 25069 2146 1 4 . 1 1 76 76 SER N N 76 117.790 117.790 116.742 1.048 25069 2147 1 4 . 1 1 76 76 SER HA H 76 3.326 3.326 4.059 -0.733 25069 2148 1 4 . 1 1 76 76 SER C C 76 176.930 176.930 176.576 0.354 25069 2149 1 4 . 1 1 76 76 SER CA C 76 62.377 62.377 62.549 -0.172 25069 2150 1 4 . 1 1 76 76 SER CB C 76 62.573 62.573 62.601 -0.028 25069 2151 1 4 . 1 1 76 76 SER H H 76 8.654 8.654 8.273 0.381 25069 2152 1 4 . 1 1 77 77 VAL N N 77 123.033 123.033 122.536 0.497 25069 2153 1 4 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.828 -0.249 25069 2154 1 4 . 1 1 77 77 VAL C C 77 178.969 178.969 177.739 1.230 25069 2155 1 4 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.776 0.320 25069 2156 1 4 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.728 0.249 25069 2157 1 4 . 1 1 77 77 VAL H H 77 7.844 7.844 8.264 -0.420 25069 2158 1 4 . 1 1 78 78 PHE N N 78 121.473 121.473 121.793 -0.320 25069 2159 1 4 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.075 0.273 25069 2160 1 4 . 1 1 78 78 PHE C C 78 177.726 177.726 176.495 1.231 25069 2161 1 4 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.679 -1.350 25069 2162 1 4 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.594 -0.050 25069 2163 1 4 . 1 1 78 78 PHE H H 78 7.439 7.439 7.557 -0.118 25069 2164 1 4 . 1 1 79 79 LEU N N 79 118.574 118.574 117.680 0.894 25069 2165 1 4 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.149 0.081 25069 2166 1 4 . 1 1 79 79 LEU C C 79 178.837 178.837 178.643 0.194 25069 2167 1 4 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.750 -0.020 25069 2168 1 4 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.733 -0.280 25069 2169 1 4 . 1 1 79 79 LEU H H 79 8.298 8.298 7.942 0.356 25069 2170 1 4 . 1 1 80 80 SER N N 80 112.827 112.827 114.211 -1.384 25069 2171 1 4 . 1 1 80 80 SER HA H 80 3.978 3.978 3.982 -0.004 25069 2172 1 4 . 1 1 80 80 SER C C 80 175.796 175.796 176.654 -0.858 25069 2173 1 4 . 1 1 80 80 SER CA C 80 62.278 62.278 61.622 0.656 25069 2174 1 4 . 1 1 80 80 SER CB C 80 63.148 63.148 62.575 0.573 25069 2175 1 4 . 1 1 80 80 SER H H 80 7.728 7.728 7.915 -0.187 25069 2176 1 4 . 1 1 81 81 SER N N 81 117.584 117.584 119.042 -1.458 25069 2177 1 4 . 1 1 81 81 SER HA H 81 4.151 4.151 4.110 0.041 25069 2178 1 4 . 1 1 81 81 SER C C 81 176.761 176.761 176.521 0.240 25069 2179 1 4 . 1 1 81 81 SER CA C 81 61.673 61.673 61.559 0.114 25069 2180 1 4 . 1 1 81 81 SER CB C 81 62.441 62.441 62.988 -0.547 25069 2181 1 4 . 1 1 81 81 SER H H 81 7.703 7.703 7.776 -0.073 25069 2182 1 4 . 1 1 82 82 ILE N N 82 122.194 122.194 121.207 0.987 25069 2183 1 4 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.591 0.057 25069 2184 1 4 . 1 1 82 82 ILE C C 82 178.743 178.743 177.425 1.318 25069 2185 1 4 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.228 -1.079 25069 2186 1 4 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.355 -0.630 25069 2187 1 4 . 1 1 82 82 ILE H H 82 7.490 7.490 8.114 -0.624 25069 2188 1 4 . 1 1 83 83 ALA N N 83 123.288 123.288 121.854 1.434 25069 2189 1 4 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.942 -0.128 25069 2190 1 4 . 1 1 83 83 ALA C C 83 179.019 179.019 179.882 -0.863 25069 2191 1 4 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.021 0.506 25069 2192 1 4 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.171 -0.522 25069 2193 1 4 . 1 1 83 83 ALA H H 83 8.190 8.190 7.587 0.603 25069 2194 1 4 . 1 1 84 84 MET N N 84 114.549 114.549 118.802 -4.253 25069 2195 1 4 . 1 1 84 84 MET HA H 84 4.660 4.660 4.002 0.658 25069 2196 1 4 . 1 1 84 84 MET C C 84 174.776 174.776 178.592 -3.816 25069 2197 1 4 . 1 1 84 84 MET CA C 84 58.603 58.603 59.497 -0.894 25069 2198 1 4 . 1 1 84 84 MET CB C 84 37.147 37.147 32.721 4.426 25069 2199 1 4 . 1 1 84 84 MET H H 84 8.060 8.060 8.401 -0.341 25069 2200 1 4 . 1 1 85 85 MET N N 85 114.638 114.638 118.778 -4.140 25069 2201 1 4 . 1 1 85 85 MET HA H 85 4.079 4.079 4.272 -0.193 25069 2202 1 4 . 1 1 85 85 MET C C 85 178.153 178.153 179.371 -1.218 25069 2203 1 4 . 1 1 85 85 MET CA C 85 58.444 58.444 57.009 1.435 25069 2204 1 4 . 1 1 85 85 MET CB C 85 32.523 32.523 31.065 1.458 25069 2205 1 4 . 1 1 85 85 MET H H 85 8.097 8.097 8.580 -0.483 25069 2206 1 4 . 1 1 86 86 SER N N 86 114.719 114.719 115.186 -0.467 25069 2207 1 4 . 1 1 86 86 SER HA H 86 4.184 4.184 4.218 -0.034 25069 2208 1 4 . 1 1 86 86 SER C C 86 176.656 176.656 176.755 -0.099 25069 2209 1 4 . 1 1 86 86 SER CA C 86 60.867 60.867 61.338 -0.471 25069 2210 1 4 . 1 1 86 86 SER CB C 86 63.250 63.250 63.038 0.212 25069 2211 1 4 . 1 1 86 86 SER H H 86 8.119 8.119 8.662 -0.543 25069 2212 1 4 . 1 1 87 87 ASN N N 87 119.754 119.754 120.132 -0.378 25069 2213 1 4 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.514 0.064 25069 2214 1 4 . 1 1 87 87 ASN C C 87 176.062 176.062 177.511 -1.449 25069 2215 1 4 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.437 -0.261 25069 2216 1 4 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.764 -0.016 25069 2217 1 4 . 1 1 87 87 ASN H H 87 8.328 8.328 7.893 0.435 25069 2218 1 4 . 1 1 88 88 GLU N N 88 117.928 117.928 119.140 -1.212 25069 2219 1 4 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.282 -0.543 25069 2220 1 4 . 1 1 88 88 GLU C C 88 177.870 177.870 179.219 -1.349 25069 2221 1 4 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.722 0.210 25069 2222 1 4 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.387 -0.107 25069 2223 1 4 . 1 1 88 88 GLU H H 88 7.747 7.747 8.752 -1.005 25069 2224 1 4 . 1 1 89 89 PHE N N 89 116.133 116.133 119.408 -3.275 25069 2225 1 4 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.462 -0.293 25069 2226 1 4 . 1 1 89 89 PHE C C 89 176.404 176.404 176.221 0.183 25069 2227 1 4 . 1 1 89 89 PHE CA C 89 59.056 59.056 58.587 0.469 25069 2228 1 4 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.589 -0.747 25069 2229 1 4 . 1 1 89 89 PHE H H 89 7.465 7.465 7.943 -0.478 25069 2230 1 4 . 1 1 90 90 PHE N N 90 119.130 119.130 121.492 -2.362 25069 2231 1 4 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.175 -0.120 25069 2232 1 4 . 1 1 90 90 PHE C C 90 176.420 176.420 176.596 -0.176 25069 2233 1 4 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.946 -1.176 25069 2234 1 4 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.568 -0.255 25069 2235 1 4 . 1 1 90 90 PHE H H 90 7.537 7.537 7.979 -0.442 25069 2236 1 4 . 1 1 91 91 GLU N N 91 118.971 118.971 116.857 2.114 25069 2237 1 4 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.156 -0.416 25069 2238 1 4 . 1 1 91 91 GLU C C 91 176.491 176.491 177.615 -1.124 25069 2239 1 4 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.842 0.389 25069 2240 1 4 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.579 -0.531 25069 2241 1 4 . 1 1 91 91 GLU H H 91 7.938 7.938 8.103 -0.165 25069 2242 1 4 . 1 1 92 92 GLY N N 92 105.912 105.912 108.537 -2.625 25069 2243 1 4 . 1 1 92 92 GLY C C 92 173.288 173.288 173.690 -0.402 25069 2244 1 4 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.008 0.056 25069 2245 1 4 . 1 1 92 92 GLY H H 92 7.201 7.201 7.827 -0.626 25069 2246 1 4 . 1 1 93 93 PHE N N 93 118.877 118.877 121.063 -2.186 25069 2247 1 4 . 1 1 93 93 PHE C C 93 174.128 174.128 173.240 0.888 25069 2248 1 4 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.420 1.789 25069 2249 1 4 . 1 1 93 93 PHE CB C 93 38.770 38.770 42.296 -3.526 25069 2250 1 4 . 1 1 93 93 PHE H H 93 7.844 7.844 7.640 0.204 25069 2251 1 4 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.358 -0.152 25069 2252 1 4 . 1 1 94 94 PRO C C 94 176.669 176.669 175.306 1.363 25069 2253 1 4 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.225 0.476 25069 2254 1 4 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.840 0.996 25069 2255 1 4 . 1 1 95 95 ASP N N 95 118.031 118.031 122.602 -4.571 25069 2256 1 4 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.791 -0.384 25069 2257 1 4 . 1 1 95 95 ASP C C 95 176.139 176.139 176.873 -0.734 25069 2258 1 4 . 1 1 95 95 ASP CA C 95 54.481 54.481 53.773 0.709 25069 2259 1 4 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.968 -0.947 25069 2260 1 4 . 1 1 95 95 ASP H H 95 8.144 8.144 9.409 -1.265 25069 2261 1 4 . 1 1 96 96 LYS N N 96 119.472 119.472 118.828 0.644 25069 2262 1 4 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.318 -0.181 25069 2263 1 4 . 1 1 96 96 LYS C C 96 176.212 176.212 176.655 -0.443 25069 2264 1 4 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.070 -0.891 25069 2265 1 4 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.993 -0.210 25069 2266 1 4 . 1 1 96 96 LYS H H 96 7.980 7.980 7.508 0.472 25069 2267 1 4 . 1 1 97 97 GLN N N 97 120.185 120.185 117.938 2.247 25069 2268 1 4 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.606 -0.185 25069 2269 1 4 . 1 1 97 97 GLN C C 97 173.700 173.700 174.667 -0.967 25069 2270 1 4 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.569 0.235 25069 2271 1 4 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.466 0.266 25069 2272 1 4 . 1 1 97 97 GLN H H 97 8.007 8.007 7.668 0.339 25069 2273 1 4 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.400 -0.157 25069 2274 1 4 . 1 1 98 98 PRO C C 98 176.605 176.605 176.613 -0.008 25069 2275 1 4 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.428 -0.414 25069 2276 1 4 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.913 0.024 25069 2277 1 4 . 1 1 99 99 ARG N N 99 120.677 120.677 116.509 4.168 25069 2278 1 4 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.013 0.132 25069 2279 1 4 . 1 1 99 99 ARG C C 99 176.053 176.053 175.962 0.091 25069 2280 1 4 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.250 -1.278 25069 2281 1 4 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.905 1.989 25069 2282 1 4 . 1 1 99 99 ARG H H 99 8.254 8.254 8.345 -0.091 25069 2283 1 4 . 1 1 100 100 LYS N N 100 122.775 122.775 117.819 4.956 25069 2284 1 4 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.316 -0.172 25069 2285 1 4 . 1 1 100 100 LYS C C 100 175.376 175.376 175.249 0.127 25069 2286 1 4 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.567 -0.171 25069 2287 1 4 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.545 -0.256 25069 2288 1 4 . 1 1 100 100 LYS H H 100 8.230 8.230 7.970 0.260 25069 2289 1 5 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.583 -0.374 25069 2290 1 5 . 1 1 2 2 ALA C C 2 173.983 173.983 177.476 -3.493 25069 2291 1 5 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.428 0.173 25069 2292 1 5 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.827 2.049 25069 2293 1 5 . 1 1 3 3 SER N N 3 121.630 121.630 120.723 0.907 25069 2294 1 5 . 1 1 3 3 SER C C 3 172.689 172.689 174.393 -1.704 25069 2295 1 5 . 1 1 3 3 SER CA C 3 56.943 56.943 58.551 -1.609 25069 2296 1 5 . 1 1 3 3 SER CB C 3 63.102 63.102 61.632 1.470 25069 2297 1 5 . 1 1 3 3 SER H H 3 9.907 9.907 7.980 1.927 25069 2298 1 5 . 1 1 4 4 PRO C C 4 179.695 179.695 178.054 1.641 25069 2299 1 5 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.784 -0.050 25069 2300 1 5 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.513 0.267 25069 2301 1 5 . 1 1 5 5 LEU N N 5 118.522 118.522 118.287 0.235 25069 2302 1 5 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.996 0.035 25069 2303 1 5 . 1 1 5 5 LEU C C 5 177.968 177.968 178.318 -0.350 25069 2304 1 5 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.969 -0.321 25069 2305 1 5 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.825 0.810 25069 2306 1 5 . 1 1 5 5 LEU H H 5 8.277 8.277 7.467 0.810 25069 2307 1 5 . 1 1 6 6 GLU N N 6 118.997 118.997 119.337 -0.340 25069 2308 1 5 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.896 -0.200 25069 2309 1 5 . 1 1 6 6 GLU C C 6 180.177 180.177 178.830 1.347 25069 2310 1 5 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.906 0.433 25069 2311 1 5 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.379 0.455 25069 2312 1 5 . 1 1 6 6 GLU H H 6 8.130 8.130 8.070 0.060 25069 2313 1 5 . 1 1 7 7 LYS N N 7 117.838 117.838 117.625 0.213 25069 2314 1 5 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.116 -0.120 25069 2315 1 5 . 1 1 7 7 LYS C C 7 178.764 178.764 178.842 -0.078 25069 2316 1 5 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.225 1.131 25069 2317 1 5 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.695 0.464 25069 2318 1 5 . 1 1 7 7 LYS H H 7 8.341 8.341 7.867 0.474 25069 2319 1 5 . 1 1 8 8 ALA N N 8 122.327 122.327 122.178 0.149 25069 2320 1 5 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.208 -0.229 25069 2321 1 5 . 1 1 8 8 ALA C C 8 179.482 179.482 179.444 0.038 25069 2322 1 5 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.556 0.612 25069 2323 1 5 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.150 0.144 25069 2324 1 5 . 1 1 8 8 ALA H H 8 8.082 8.082 7.897 0.185 25069 2325 1 5 . 1 1 9 9 LEU N N 9 118.212 118.212 118.931 -0.719 25069 2326 1 5 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.836 0.111 25069 2327 1 5 . 1 1 9 9 LEU C C 9 178.844 178.844 178.864 -0.020 25069 2328 1 5 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.751 0.458 25069 2329 1 5 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.160 0.456 25069 2330 1 5 . 1 1 9 9 LEU H H 9 8.042 8.042 7.927 0.115 25069 2331 1 5 . 1 1 10 10 ASP N N 10 117.997 117.997 119.029 -1.032 25069 2332 1 5 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.460 -0.073 25069 2333 1 5 . 1 1 10 10 ASP C C 10 179.582 179.582 178.745 0.837 25069 2334 1 5 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.316 0.454 25069 2335 1 5 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.023 -0.029 25069 2336 1 5 . 1 1 10 10 ASP H H 10 7.587 7.587 7.689 -0.102 25069 2337 1 5 . 1 1 11 11 VAL N N 11 120.702 120.702 120.105 0.597 25069 2338 1 5 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.760 -0.023 25069 2339 1 5 . 1 1 11 11 VAL C C 11 180.061 180.061 177.765 2.296 25069 2340 1 5 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.386 0.758 25069 2341 1 5 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.777 -0.151 25069 2342 1 5 . 1 1 11 11 VAL H H 11 8.099 8.099 7.728 0.371 25069 2343 1 5 . 1 1 12 12 MET N N 12 123.185 123.185 120.627 2.558 25069 2344 1 5 . 1 1 12 12 MET HA H 12 3.921 3.921 4.368 -0.447 25069 2345 1 5 . 1 1 12 12 MET C C 12 178.871 178.871 178.178 0.693 25069 2346 1 5 . 1 1 12 12 MET CA C 12 60.784 60.784 57.277 3.507 25069 2347 1 5 . 1 1 12 12 MET CB C 12 32.579 32.579 32.182 0.397 25069 2348 1 5 . 1 1 12 12 MET H H 12 8.454 8.454 8.042 0.412 25069 2349 1 5 . 1 1 13 13 VAL N N 13 118.900 118.900 119.608 -0.708 25069 2350 1 5 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.816 0.109 25069 2351 1 5 . 1 1 13 13 VAL C C 13 177.712 177.712 178.004 -0.292 25069 2352 1 5 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.168 -0.488 25069 2353 1 5 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.412 1.835 25069 2354 1 5 . 1 1 13 13 VAL H H 13 8.117 8.117 7.722 0.395 25069 2355 1 5 . 1 1 14 14 SER N N 14 114.675 114.675 114.756 -0.081 25069 2356 1 5 . 1 1 14 14 SER HA H 14 3.966 3.966 4.322 -0.356 25069 2357 1 5 . 1 1 14 14 SER C C 14 178.306 178.306 176.577 1.729 25069 2358 1 5 . 1 1 14 14 SER CA C 14 61.937 61.937 60.964 0.973 25069 2359 1 5 . 1 1 14 14 SER CB C 14 62.474 62.474 63.103 -0.629 25069 2360 1 5 . 1 1 14 14 SER H H 14 8.935 8.935 7.865 1.070 25069 2361 1 5 . 1 1 15 15 THR N N 15 117.582 117.582 119.082 -1.500 25069 2362 1 5 . 1 1 15 15 THR HA H 15 4.190 4.190 3.930 0.260 25069 2363 1 5 . 1 1 15 15 THR C C 15 174.459 174.459 175.936 -1.477 25069 2364 1 5 . 1 1 15 15 THR CA C 15 67.683 67.683 67.265 0.418 25069 2365 1 5 . 1 1 15 15 THR CB C 15 68.187 68.187 68.693 -0.506 25069 2366 1 5 . 1 1 15 15 THR H H 15 8.543 8.543 8.318 0.225 25069 2367 1 5 . 1 1 16 16 PHE N N 16 118.606 118.606 122.333 -3.727 25069 2368 1 5 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.619 -0.250 25069 2369 1 5 . 1 1 16 16 PHE C C 16 176.480 176.480 176.273 0.207 25069 2370 1 5 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.762 0.719 25069 2371 1 5 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.474 0.762 25069 2372 1 5 . 1 1 16 16 PHE H H 16 6.809 6.809 7.710 -0.901 25069 2373 1 5 . 1 1 17 17 HIS N N 17 114.536 114.536 115.898 -1.362 25069 2374 1 5 . 1 1 17 17 HIS HA H 17 4.726 4.726 3.822 0.904 25069 2375 1 5 . 1 1 17 17 HIS C C 17 177.124 177.124 177.506 -0.382 25069 2376 1 5 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.593 0.134 25069 2377 1 5 . 1 1 17 17 HIS CB C 17 30.148 30.148 28.975 1.173 25069 2378 1 5 . 1 1 17 17 HIS H H 17 6.955 6.955 7.870 -0.915 25069 2379 1 5 . 1 1 18 18 LYS N N 18 120.739 120.739 120.360 0.379 25069 2380 1 5 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.961 -0.243 25069 2381 1 5 . 1 1 18 18 LYS C C 18 177.006 177.006 177.699 -0.693 25069 2382 1 5 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.110 -0.242 25069 2383 1 5 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.138 -0.024 25069 2384 1 5 . 1 1 18 18 LYS H H 18 7.820 7.820 7.385 0.435 25069 2385 1 5 . 1 1 19 19 TYR N N 19 112.545 112.545 117.331 -4.786 25069 2386 1 5 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.271 -0.132 25069 2387 1 5 . 1 1 19 19 TYR C C 19 176.218 176.218 177.847 -1.629 25069 2388 1 5 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.768 -0.870 25069 2389 1 5 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.701 1.756 25069 2390 1 5 . 1 1 19 19 TYR H H 19 6.730 6.730 7.631 -0.901 25069 2391 1 5 . 1 1 20 20 SER N N 20 113.404 113.404 116.379 -2.975 25069 2392 1 5 . 1 1 20 20 SER HA H 20 3.385 3.385 3.931 -0.546 25069 2393 1 5 . 1 1 20 20 SER C C 20 176.961 176.961 175.979 0.982 25069 2394 1 5 . 1 1 20 20 SER CA C 20 61.866 61.866 61.130 0.736 25069 2395 1 5 . 1 1 20 20 SER CB C 20 60.904 60.904 62.389 -1.485 25069 2396 1 5 . 1 1 20 20 SER H H 20 8.493 8.493 8.228 0.265 25069 2397 1 5 . 1 1 21 21 GLY N N 21 109.001 109.001 105.716 3.285 25069 2398 1 5 . 1 1 21 21 GLY C C 21 173.502 173.502 174.155 -0.653 25069 2399 1 5 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.680 0.859 25069 2400 1 5 . 1 1 21 21 GLY H H 21 7.512 7.512 7.564 -0.052 25069 2401 1 5 . 1 1 22 22 LYS N N 22 120.754 120.754 117.904 2.850 25069 2402 1 5 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.216 -0.421 25069 2403 1 5 . 1 1 22 22 LYS C C 22 177.354 177.354 176.349 1.005 25069 2404 1 5 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.101 2.906 25069 2405 1 5 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.033 -0.050 25069 2406 1 5 . 1 1 22 22 LYS H H 22 6.958 6.958 7.134 -0.176 25069 2407 1 5 . 1 1 23 23 GLU N N 23 115.305 115.305 116.715 -1.410 25069 2408 1 5 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.416 0.042 25069 2409 1 5 . 1 1 23 23 GLU C C 23 176.733 176.733 175.697 1.036 25069 2410 1 5 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.381 -0.946 25069 2411 1 5 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.672 2.682 25069 2412 1 5 . 1 1 23 23 GLU H H 23 9.425 9.425 7.570 1.855 25069 2413 1 5 . 1 1 24 24 GLY N N 24 112.542 112.542 113.123 -0.581 25069 2414 1 5 . 1 1 24 24 GLY C C 24 173.486 173.486 173.837 -0.351 25069 2415 1 5 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.228 1.114 25069 2416 1 5 . 1 1 24 24 GLY H H 24 8.879 8.879 8.353 0.526 25069 2417 1 5 . 1 1 25 25 ASP N N 25 125.117 125.117 123.178 1.939 25069 2418 1 5 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.729 -0.446 25069 2419 1 5 . 1 1 25 25 ASP C C 25 179.177 179.177 176.128 3.049 25069 2420 1 5 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.981 2.133 25069 2421 1 5 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.167 -0.431 25069 2422 1 5 . 1 1 25 25 ASP H H 25 8.423 8.423 8.256 0.167 25069 2423 1 5 . 1 1 26 26 LYS N N 26 131.175 131.175 119.642 11.533 25069 2424 1 5 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.239 -0.043 25069 2425 1 5 . 1 1 26 26 LYS C C 26 176.638 176.638 175.422 1.216 25069 2426 1 5 . 1 1 26 26 LYS CA C 26 57.968 57.968 55.629 2.339 25069 2427 1 5 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.340 -1.117 25069 2428 1 5 . 1 1 26 26 LYS H H 26 9.247 9.247 8.466 0.781 25069 2429 1 5 . 1 1 27 27 PHE N N 27 118.593 118.593 117.701 0.892 25069 2430 1 5 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.774 -0.075 25069 2431 1 5 . 1 1 27 27 PHE C C 27 173.452 173.452 173.726 -0.274 25069 2432 1 5 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.401 -1.369 25069 2433 1 5 . 1 1 27 27 PHE CB C 27 39.091 39.091 41.087 -1.996 25069 2434 1 5 . 1 1 27 27 PHE H H 27 9.335 9.335 8.566 0.769 25069 2435 1 5 . 1 1 28 28 LYS N N 28 113.854 113.854 118.890 -5.036 25069 2436 1 5 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.317 -0.313 25069 2437 1 5 . 1 1 28 28 LYS C C 28 174.468 174.468 175.070 -0.602 25069 2438 1 5 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.937 0.350 25069 2439 1 5 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.441 1.577 25069 2440 1 5 . 1 1 28 28 LYS H H 28 6.985 6.985 7.468 -0.483 25069 2441 1 5 . 1 1 29 29 LEU N N 29 124.858 124.858 124.560 0.298 25069 2442 1 5 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.524 0.489 25069 2443 1 5 . 1 1 29 29 LEU C C 29 175.791 175.791 175.867 -0.076 25069 2444 1 5 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.636 -1.037 25069 2445 1 5 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.117 1.440 25069 2446 1 5 . 1 1 29 29 LEU H H 29 9.454 9.454 9.063 0.391 25069 2447 1 5 . 1 1 30 30 ASN N N 30 122.896 122.896 122.109 0.787 25069 2448 1 5 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.147 -0.569 25069 2449 1 5 . 1 1 30 30 ASN C C 30 174.969 174.969 176.471 -1.502 25069 2450 1 5 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.169 -1.071 25069 2451 1 5 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.524 -2.166 25069 2452 1 5 . 1 1 30 30 ASN H H 30 9.560 9.560 8.411 1.149 25069 2453 1 5 . 1 1 31 31 LYS N N 31 115.136 115.136 121.175 -6.039 25069 2454 1 5 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.846 0.024 25069 2455 1 5 . 1 1 31 31 LYS C C 31 177.992 177.992 178.399 -0.407 25069 2456 1 5 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.883 0.152 25069 2457 1 5 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.239 -0.034 25069 2458 1 5 . 1 1 31 31 LYS H H 31 8.204 8.204 8.619 -0.415 25069 2459 1 5 . 1 1 32 32 SER N N 32 113.755 113.755 114.873 -1.118 25069 2460 1 5 . 1 1 32 32 SER HA H 32 3.939 3.939 4.066 -0.127 25069 2461 1 5 . 1 1 32 32 SER C C 32 177.484 177.484 176.714 0.770 25069 2462 1 5 . 1 1 32 32 SER CA C 32 61.374 61.374 61.433 -0.059 25069 2463 1 5 . 1 1 32 32 SER CB C 32 62.733 62.733 62.800 -0.067 25069 2464 1 5 . 1 1 32 32 SER H H 32 7.575 7.575 8.290 -0.715 25069 2465 1 5 . 1 1 33 33 GLU N N 33 122.657 122.657 121.525 1.132 25069 2466 1 5 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.227 -0.314 25069 2467 1 5 . 1 1 33 33 GLU C C 33 178.560 178.560 178.946 -0.386 25069 2468 1 5 . 1 1 33 33 GLU CA C 33 58.842 58.842 57.520 1.322 25069 2469 1 5 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.174 2.025 25069 2470 1 5 . 1 1 33 33 GLU H H 33 8.608 8.608 7.685 0.923 25069 2471 1 5 . 1 1 34 34 LEU N N 34 117.375 117.375 123.106 -5.731 25069 2472 1 5 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.918 -0.113 25069 2473 1 5 . 1 1 34 34 LEU C C 34 177.693 177.693 178.169 -0.476 25069 2474 1 5 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.661 -0.885 25069 2475 1 5 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.771 -0.074 25069 2476 1 5 . 1 1 34 34 LEU H H 34 8.859 8.859 8.905 -0.046 25069 2477 1 5 . 1 1 35 35 LYS N N 35 117.418 117.418 118.727 -1.309 25069 2478 1 5 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.398 0.128 25069 2479 1 5 . 1 1 35 35 LYS C C 35 179.129 179.129 178.864 0.265 25069 2480 1 5 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.265 -0.099 25069 2481 1 5 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.671 0.088 25069 2482 1 5 . 1 1 35 35 LYS H H 35 7.901 7.901 8.269 -0.368 25069 2483 1 5 . 1 1 36 36 GLU N N 36 120.491 120.491 119.640 0.851 25069 2484 1 5 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.126 -0.407 25069 2485 1 5 . 1 1 36 36 GLU C C 36 176.354 176.354 179.396 -3.042 25069 2486 1 5 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.172 0.797 25069 2487 1 5 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.808 -0.415 25069 2488 1 5 . 1 1 36 36 GLU H H 36 7.619 7.619 7.629 -0.010 25069 2489 1 5 . 1 1 37 37 LEU N N 37 120.058 120.058 121.757 -1.699 25069 2490 1 5 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.195 -0.770 25069 2491 1 5 . 1 1 37 37 LEU C C 37 179.412 179.412 178.567 0.845 25069 2492 1 5 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.925 1.512 25069 2493 1 5 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.940 -0.136 25069 2494 1 5 . 1 1 37 37 LEU H H 37 7.762 7.762 8.626 -0.864 25069 2495 1 5 . 1 1 38 38 LEU N N 38 116.987 116.987 119.086 -2.099 25069 2496 1 5 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.164 -0.499 25069 2497 1 5 . 1 1 38 38 LEU C C 38 178.279 178.279 179.331 -1.052 25069 2498 1 5 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.182 0.496 25069 2499 1 5 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.359 0.955 25069 2500 1 5 . 1 1 38 38 LEU H H 38 8.532 8.532 8.687 -0.155 25069 2501 1 5 . 1 1 39 39 THR N N 39 108.650 108.650 109.805 -1.155 25069 2502 1 5 . 1 1 39 39 THR HA H 39 3.693 3.693 4.134 -0.441 25069 2503 1 5 . 1 1 39 39 THR C C 39 176.231 176.231 176.824 -0.593 25069 2504 1 5 . 1 1 39 39 THR CA C 39 65.997 65.997 65.511 0.486 25069 2505 1 5 . 1 1 39 39 THR CB C 39 69.618 69.618 69.229 0.389 25069 2506 1 5 . 1 1 39 39 THR H H 39 7.883 7.883 8.490 -0.607 25069 2507 1 5 . 1 1 40 40 ARG N N 40 115.482 115.482 119.824 -4.342 25069 2508 1 5 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.309 -0.157 25069 2509 1 5 . 1 1 40 40 ARG C C 40 178.520 178.520 178.209 0.311 25069 2510 1 5 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.226 -0.191 25069 2511 1 5 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.890 0.355 25069 2512 1 5 . 1 1 40 40 ARG H H 40 8.015 8.015 8.150 -0.135 25069 2513 1 5 . 1 1 41 41 GLU N N 41 112.106 112.106 116.748 -4.642 25069 2514 1 5 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.396 0.438 25069 2515 1 5 . 1 1 41 41 GLU C C 41 177.856 177.856 176.185 1.671 25069 2516 1 5 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.458 -1.260 25069 2517 1 5 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.407 -0.086 25069 2518 1 5 . 1 1 41 41 GLU H H 41 8.463 8.463 8.487 -0.024 25069 2519 1 5 . 1 1 42 42 LEU N N 42 119.287 119.287 120.368 -1.081 25069 2520 1 5 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.951 0.101 25069 2521 1 5 . 1 1 42 42 LEU C C 42 174.457 174.457 174.891 -0.434 25069 2522 1 5 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.727 0.111 25069 2523 1 5 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.295 1.788 25069 2524 1 5 . 1 1 42 42 LEU H H 42 7.688 7.688 7.408 0.280 25069 2525 1 5 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.426 -0.222 25069 2526 1 5 . 1 1 43 43 PRO C C 43 179.969 179.969 178.821 1.148 25069 2527 1 5 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.666 0.023 25069 2528 1 5 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.073 -1.246 25069 2529 1 5 . 1 1 44 44 SER N N 44 114.352 114.352 112.223 2.129 25069 2530 1 5 . 1 1 44 44 SER HA H 44 4.093 4.093 4.332 -0.239 25069 2531 1 5 . 1 1 44 44 SER C C 44 175.709 175.709 176.769 -1.060 25069 2532 1 5 . 1 1 44 44 SER CA C 44 60.793 60.793 60.605 0.188 25069 2533 1 5 . 1 1 44 44 SER CB C 44 62.400 62.400 63.172 -0.772 25069 2534 1 5 . 1 1 44 44 SER H H 44 8.674 8.674 8.037 0.637 25069 2535 1 5 . 1 1 45 45 PHE N N 45 121.558 121.558 122.208 -0.650 25069 2536 1 5 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.205 -0.053 25069 2537 1 5 . 1 1 45 45 PHE C C 45 176.441 176.441 176.946 -0.505 25069 2538 1 5 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.999 -0.665 25069 2539 1 5 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.107 0.682 25069 2540 1 5 . 1 1 45 45 PHE H H 45 7.952 7.952 8.190 -0.238 25069 2541 1 5 . 1 1 46 46 LEU N N 46 117.590 117.590 115.115 2.475 25069 2542 1 5 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.323 -0.487 25069 2543 1 5 . 1 1 46 46 LEU C C 46 178.236 178.236 179.327 -1.091 25069 2544 1 5 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.921 1.223 25069 2545 1 5 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.809 0.707 25069 2546 1 5 . 1 1 46 46 LEU H H 46 7.906 7.906 8.154 -0.248 25069 2547 1 5 . 1 1 47 47 GLY N N 47 104.817 104.817 109.492 -4.675 25069 2548 1 5 . 1 1 47 47 GLY C C 47 174.665 174.665 175.540 -0.875 25069 2549 1 5 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.696 -0.711 25069 2550 1 5 . 1 1 47 47 GLY H H 47 7.646 7.646 7.668 -0.022 25069 2551 1 5 . 1 1 48 48 LYS N N 48 120.422 120.422 118.440 1.982 25069 2552 1 5 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.132 0.020 25069 2553 1 5 . 1 1 48 48 LYS C C 48 177.029 177.029 176.741 0.288 25069 2554 1 5 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.432 -0.952 25069 2555 1 5 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.985 -0.733 25069 2556 1 5 . 1 1 48 48 LYS H H 48 8.400 8.400 7.303 1.097 25069 2557 1 5 . 1 1 49 49 ARG N N 49 119.815 119.815 119.231 0.584 25069 2558 1 5 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.382 -0.079 25069 2559 1 5 . 1 1 49 49 ARG C C 49 175.183 175.183 174.232 0.951 25069 2560 1 5 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.998 -0.299 25069 2561 1 5 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.136 -1.629 25069 2562 1 5 . 1 1 49 49 ARG H H 49 7.801 7.801 7.608 0.193 25069 2563 1 5 . 1 1 50 50 THR N N 50 110.525 110.525 115.928 -5.403 25069 2564 1 5 . 1 1 50 50 THR HA H 50 4.091 4.091 4.312 -0.221 25069 2565 1 5 . 1 1 50 50 THR C C 50 174.108 174.108 173.531 0.577 25069 2566 1 5 . 1 1 50 50 THR CA C 50 61.579 61.579 61.157 0.422 25069 2567 1 5 . 1 1 50 50 THR CB C 50 69.136 69.136 68.404 0.732 25069 2568 1 5 . 1 1 50 50 THR H H 50 7.808 7.808 8.053 -0.245 25069 2569 1 5 . 1 1 51 51 ASP N N 51 121.073 121.073 127.188 -6.115 25069 2570 1 5 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.887 -0.327 25069 2571 1 5 . 1 1 51 51 ASP C C 51 175.715 175.715 176.039 -0.324 25069 2572 1 5 . 1 1 51 51 ASP CA C 51 53.054 53.054 52.753 0.301 25069 2573 1 5 . 1 1 51 51 ASP CB C 51 41.811 41.811 44.438 -2.627 25069 2574 1 5 . 1 1 51 51 ASP H H 51 7.924 7.924 7.871 0.053 25069 2575 1 5 . 1 1 52 52 GLU N N 52 120.418 120.418 122.349 -1.931 25069 2576 1 5 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.393 -0.351 25069 2577 1 5 . 1 1 52 52 GLU C C 52 178.726 178.726 178.577 0.149 25069 2578 1 5 . 1 1 52 52 GLU CA C 52 59.560 59.560 59.931 -0.371 25069 2579 1 5 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.876 -0.492 25069 2580 1 5 . 1 1 52 52 GLU H H 52 8.515 8.515 9.014 -0.499 25069 2581 1 5 . 1 1 53 53 ALA N N 53 120.807 120.807 122.871 -2.064 25069 2582 1 5 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.179 -0.143 25069 2583 1 5 . 1 1 53 53 ALA C C 53 180.416 180.416 179.499 0.917 25069 2584 1 5 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.883 0.258 25069 2585 1 5 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.035 -0.091 25069 2586 1 5 . 1 1 53 53 ALA H H 53 8.242 8.242 8.404 -0.162 25069 2587 1 5 . 1 1 54 54 ALA N N 54 121.069 121.069 122.136 -1.067 25069 2588 1 5 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.127 -0.200 25069 2589 1 5 . 1 1 54 54 ALA C C 54 180.846 180.846 179.738 1.108 25069 2590 1 5 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.712 0.265 25069 2591 1 5 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.047 0.290 25069 2592 1 5 . 1 1 54 54 ALA H H 54 7.874 7.874 8.144 -0.270 25069 2593 1 5 . 1 1 55 55 PHE N N 55 118.066 118.066 118.525 -0.459 25069 2594 1 5 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.128 -0.161 25069 2595 1 5 . 1 1 55 55 PHE C C 55 177.160 177.160 177.876 -0.716 25069 2596 1 5 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.023 0.006 25069 2597 1 5 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.383 0.449 25069 2598 1 5 . 1 1 55 55 PHE H H 55 8.013 8.013 8.615 -0.602 25069 2599 1 5 . 1 1 56 56 GLN N N 56 118.474 118.474 119.897 -1.423 25069 2600 1 5 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.000 -0.260 25069 2601 1 5 . 1 1 56 56 GLN C C 56 178.531 178.531 178.131 0.400 25069 2602 1 5 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.027 -0.195 25069 2603 1 5 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.066 -0.212 25069 2604 1 5 . 1 1 56 56 GLN H H 56 8.265 8.265 8.536 -0.271 25069 2605 1 5 . 1 1 57 57 LYS N N 57 119.207 119.207 119.908 -0.701 25069 2606 1 5 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.069 -0.216 25069 2607 1 5 . 1 1 57 57 LYS C C 57 178.458 178.458 179.269 -0.811 25069 2608 1 5 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.129 -0.052 25069 2609 1 5 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.046 0.088 25069 2610 1 5 . 1 1 57 57 LYS H H 57 7.622 7.622 8.214 -0.592 25069 2611 1 5 . 1 1 58 58 LEU N N 58 119.398 119.398 121.416 -2.018 25069 2612 1 5 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.944 -0.039 25069 2613 1 5 . 1 1 58 58 LEU C C 58 178.444 178.444 178.295 0.149 25069 2614 1 5 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.776 0.344 25069 2615 1 5 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.762 -0.108 25069 2616 1 5 . 1 1 58 58 LEU H H 58 7.504 7.504 8.358 -0.854 25069 2617 1 5 . 1 1 59 59 MET N N 59 116.434 116.434 119.366 -2.932 25069 2618 1 5 . 1 1 59 59 MET HA H 59 3.614 3.614 3.832 -0.218 25069 2619 1 5 . 1 1 59 59 MET C C 59 177.513 177.513 177.979 -0.466 25069 2620 1 5 . 1 1 59 59 MET CA C 59 58.765 58.765 59.913 -1.148 25069 2621 1 5 . 1 1 59 59 MET CB C 59 31.060 31.060 32.431 -1.371 25069 2622 1 5 . 1 1 59 59 MET H H 59 8.049 8.049 8.693 -0.644 25069 2623 1 5 . 1 1 60 60 SER N N 60 111.447 111.447 113.694 -2.247 25069 2624 1 5 . 1 1 60 60 SER HA H 60 4.066 4.066 4.147 -0.081 25069 2625 1 5 . 1 1 60 60 SER C C 60 175.986 175.986 176.571 -0.585 25069 2626 1 5 . 1 1 60 60 SER CA C 60 61.416 61.416 61.278 0.138 25069 2627 1 5 . 1 1 60 60 SER CB C 60 62.945 62.945 62.676 0.269 25069 2628 1 5 . 1 1 60 60 SER H H 60 7.839 7.839 7.976 -0.137 25069 2629 1 5 . 1 1 61 61 ASN N N 61 117.559 117.559 119.034 -1.475 25069 2630 1 5 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.565 -0.215 25069 2631 1 5 . 1 1 61 61 ASN C C 61 176.377 176.377 177.667 -1.290 25069 2632 1 5 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.509 -0.506 25069 2633 1 5 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.704 0.169 25069 2634 1 5 . 1 1 61 61 ASN H H 61 7.615 7.615 7.881 -0.266 25069 2635 1 5 . 1 1 62 62 LEU N N 62 117.926 117.926 117.692 0.234 25069 2636 1 5 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.346 -0.318 25069 2637 1 5 . 1 1 62 62 LEU C C 62 178.394 178.394 177.784 0.610 25069 2638 1 5 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.032 0.965 25069 2639 1 5 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.417 0.985 25069 2640 1 5 . 1 1 62 62 LEU H H 62 7.719 7.719 7.838 -0.119 25069 2641 1 5 . 1 1 63 63 ASP N N 63 115.899 115.899 119.710 -3.811 25069 2642 1 5 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.596 -0.028 25069 2643 1 5 . 1 1 63 63 ASP C C 63 176.866 176.866 176.705 0.161 25069 2644 1 5 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.078 -1.338 25069 2645 1 5 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.723 -0.237 25069 2646 1 5 . 1 1 63 63 ASP H H 63 7.707 7.707 8.503 -0.796 25069 2647 1 5 . 1 1 64 64 SER N N 64 121.158 121.158 123.389 -2.231 25069 2648 1 5 . 1 1 64 64 SER HA H 64 4.080 4.080 4.384 -0.304 25069 2649 1 5 . 1 1 64 64 SER C C 64 175.780 175.780 175.629 0.151 25069 2650 1 5 . 1 1 64 64 SER CA C 64 60.698 60.698 60.218 0.480 25069 2651 1 5 . 1 1 64 64 SER CB C 64 63.034 63.034 63.440 -0.406 25069 2652 1 5 . 1 1 64 64 SER H H 64 8.034 8.034 8.594 -0.560 25069 2653 1 5 . 1 1 65 65 ASN N N 65 115.443 115.443 118.063 -2.620 25069 2654 1 5 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.611 0.053 25069 2655 1 5 . 1 1 65 65 ASN C C 65 174.775 174.775 175.676 -0.901 25069 2656 1 5 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.870 -1.871 25069 2657 1 5 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.687 -1.516 25069 2658 1 5 . 1 1 65 65 ASN H H 65 8.055 8.055 8.683 -0.628 25069 2659 1 5 . 1 1 66 66 ARG N N 66 114.242 114.242 115.541 -1.299 25069 2660 1 5 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.488 -0.561 25069 2661 1 5 . 1 1 66 66 ARG C C 66 175.354 175.354 175.402 -0.048 25069 2662 1 5 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.265 -0.106 25069 2663 1 5 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.185 -0.332 25069 2664 1 5 . 1 1 66 66 ARG H H 66 7.560 7.560 8.214 -0.654 25069 2665 1 5 . 1 1 67 67 ASP N N 67 118.260 118.260 119.858 -1.598 25069 2666 1 5 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.712 -0.110 25069 2667 1 5 . 1 1 67 67 ASP C C 67 177.143 177.143 176.542 0.601 25069 2668 1 5 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.956 -0.937 25069 2669 1 5 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.432 -0.728 25069 2670 1 5 . 1 1 67 67 ASP H H 67 8.406 8.406 8.325 0.081 25069 2671 1 5 . 1 1 68 68 ASN N N 68 115.091 115.091 113.713 1.378 25069 2672 1 5 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.359 -0.380 25069 2673 1 5 . 1 1 68 68 ASN C C 68 173.046 173.046 173.263 -0.217 25069 2674 1 5 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.331 1.006 25069 2675 1 5 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.627 0.263 25069 2676 1 5 . 1 1 68 68 ASN H H 68 10.021 10.021 8.696 1.325 25069 2677 1 5 . 1 1 69 69 GLU N N 69 115.671 115.671 116.814 -1.143 25069 2678 1 5 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.018 -0.320 25069 2679 1 5 . 1 1 69 69 GLU C C 69 175.335 175.335 175.465 -0.130 25069 2680 1 5 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.917 -0.046 25069 2681 1 5 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.041 2.592 25069 2682 1 5 . 1 1 69 69 GLU H H 69 7.724 7.724 7.662 0.062 25069 2683 1 5 . 1 1 70 70 VAL N N 70 124.606 124.606 125.817 -1.211 25069 2684 1 5 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.049 1.086 25069 2685 1 5 . 1 1 70 70 VAL C C 70 175.876 175.876 175.937 -0.061 25069 2686 1 5 . 1 1 70 70 VAL CA C 70 61.142 61.142 63.439 -2.297 25069 2687 1 5 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.716 0.841 25069 2688 1 5 . 1 1 70 70 VAL H H 70 9.814 9.814 8.876 0.938 25069 2689 1 5 . 1 1 71 71 ASP N N 71 127.612 127.612 128.159 -0.547 25069 2690 1 5 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.305 -0.280 25069 2691 1 5 . 1 1 71 71 ASP C C 71 175.018 175.018 177.580 -2.562 25069 2692 1 5 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.177 -0.616 25069 2693 1 5 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.983 -1.004 25069 2694 1 5 . 1 1 71 71 ASP H H 71 8.896 8.896 8.840 0.056 25069 2695 1 5 . 1 1 72 72 PHE N N 72 117.738 117.738 120.496 -2.758 25069 2696 1 5 . 1 1 72 72 PHE C C 72 177.390 177.390 177.545 -0.155 25069 2697 1 5 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.406 0.620 25069 2698 1 5 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.945 0.283 25069 2699 1 5 . 1 1 72 72 PHE H H 72 8.993 8.993 8.396 0.597 25069 2700 1 5 . 1 1 73 73 GLN N N 73 120.479 120.479 117.821 2.658 25069 2701 1 5 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.977 -0.173 25069 2702 1 5 . 1 1 73 73 GLN C C 73 178.583 178.583 177.898 0.685 25069 2703 1 5 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.564 0.496 25069 2704 1 5 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.863 -1.035 25069 2705 1 5 . 1 1 73 73 GLN H H 73 8.246 8.246 9.229 -0.983 25069 2706 1 5 . 1 1 74 74 GLU N N 74 120.179 120.179 119.989 0.190 25069 2707 1 5 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.059 -0.215 25069 2708 1 5 . 1 1 74 74 GLU C C 74 180.584 180.584 179.275 1.309 25069 2709 1 5 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.264 -0.251 25069 2710 1 5 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.546 0.860 25069 2711 1 5 . 1 1 74 74 GLU H H 74 8.782 8.782 8.209 0.573 25069 2712 1 5 . 1 1 75 75 TYR N N 75 122.109 122.109 120.958 1.151 25069 2713 1 5 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.408 -0.396 25069 2714 1 5 . 1 1 75 75 TYR C C 75 175.383 175.383 177.155 -1.772 25069 2715 1 5 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.705 -0.482 25069 2716 1 5 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.787 0.003 25069 2717 1 5 . 1 1 75 75 TYR H H 75 8.619 8.619 8.570 0.049 25069 2718 1 5 . 1 1 76 76 SER N N 76 117.790 117.790 115.745 2.045 25069 2719 1 5 . 1 1 76 76 SER HA H 76 3.326 3.326 3.877 -0.551 25069 2720 1 5 . 1 1 76 76 SER C C 76 176.930 176.930 176.722 0.208 25069 2721 1 5 . 1 1 76 76 SER CA C 76 62.377 62.377 61.889 0.488 25069 2722 1 5 . 1 1 76 76 SER CB C 76 62.573 62.573 62.856 -0.283 25069 2723 1 5 . 1 1 76 76 SER H H 76 8.654 8.654 8.181 0.473 25069 2724 1 5 . 1 1 77 77 VAL N N 77 123.033 123.033 122.027 1.006 25069 2725 1 5 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.634 -0.055 25069 2726 1 5 . 1 1 77 77 VAL C C 77 178.969 178.969 177.289 1.680 25069 2727 1 5 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.498 -0.402 25069 2728 1 5 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.288 0.689 25069 2729 1 5 . 1 1 77 77 VAL H H 77 7.844 7.844 8.511 -0.667 25069 2730 1 5 . 1 1 78 78 PHE N N 78 121.473 121.473 120.973 0.500 25069 2731 1 5 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.041 0.307 25069 2732 1 5 . 1 1 78 78 PHE C C 78 177.726 177.726 176.851 0.875 25069 2733 1 5 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.627 -1.298 25069 2734 1 5 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.465 0.078 25069 2735 1 5 . 1 1 78 78 PHE H H 78 7.439 7.439 7.502 -0.063 25069 2736 1 5 . 1 1 79 79 LEU N N 79 118.574 118.574 118.310 0.264 25069 2737 1 5 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.100 0.130 25069 2738 1 5 . 1 1 79 79 LEU C C 79 178.837 178.837 178.809 0.028 25069 2739 1 5 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.727 0.003 25069 2740 1 5 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.865 -0.414 25069 2741 1 5 . 1 1 79 79 LEU H H 79 8.298 8.298 7.821 0.477 25069 2742 1 5 . 1 1 80 80 SER N N 80 112.827 112.827 115.599 -2.772 25069 2743 1 5 . 1 1 80 80 SER HA H 80 3.978 3.978 3.975 0.003 25069 2744 1 5 . 1 1 80 80 SER C C 80 175.796 175.796 176.788 -0.992 25069 2745 1 5 . 1 1 80 80 SER CA C 80 62.278 62.278 62.260 0.018 25069 2746 1 5 . 1 1 80 80 SER CB C 80 63.148 63.148 62.498 0.650 25069 2747 1 5 . 1 1 80 80 SER H H 80 7.728 7.728 8.553 -0.825 25069 2748 1 5 . 1 1 81 81 SER N N 81 117.584 117.584 118.517 -0.933 25069 2749 1 5 . 1 1 81 81 SER HA H 81 4.151 4.151 4.154 -0.003 25069 2750 1 5 . 1 1 81 81 SER C C 81 176.761 176.761 176.535 0.226 25069 2751 1 5 . 1 1 81 81 SER CA C 81 61.673 61.673 62.292 -0.619 25069 2752 1 5 . 1 1 81 81 SER CB C 81 62.441 62.441 62.837 -0.396 25069 2753 1 5 . 1 1 81 81 SER H H 81 7.703 7.703 8.130 -0.427 25069 2754 1 5 . 1 1 82 82 ILE N N 82 122.194 122.194 121.665 0.529 25069 2755 1 5 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.647 0.001 25069 2756 1 5 . 1 1 82 82 ILE C C 82 178.743 178.743 177.952 0.791 25069 2757 1 5 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.501 -1.352 25069 2758 1 5 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.304 -0.579 25069 2759 1 5 . 1 1 82 82 ILE H H 82 7.490 7.490 7.816 -0.326 25069 2760 1 5 . 1 1 83 83 ALA N N 83 123.288 123.288 122.821 0.467 25069 2761 1 5 . 1 1 83 83 ALA HA H 83 3.814 3.814 4.130 -0.316 25069 2762 1 5 . 1 1 83 83 ALA C C 83 179.019 179.019 179.863 -0.844 25069 2763 1 5 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.650 0.877 25069 2764 1 5 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.706 -1.057 25069 2765 1 5 . 1 1 83 83 ALA H H 83 8.190 8.190 7.691 0.499 25069 2766 1 5 . 1 1 84 84 MET N N 84 114.549 114.549 118.463 -3.914 25069 2767 1 5 . 1 1 84 84 MET HA H 84 4.660 4.660 4.442 0.218 25069 2768 1 5 . 1 1 84 84 MET C C 84 174.776 174.776 179.019 -4.243 25069 2769 1 5 . 1 1 84 84 MET CA C 84 58.603 58.603 59.140 -0.537 25069 2770 1 5 . 1 1 84 84 MET CB C 84 37.147 37.147 32.810 4.337 25069 2771 1 5 . 1 1 84 84 MET H H 84 8.060 8.060 8.061 -0.001 25069 2772 1 5 . 1 1 85 85 MET N N 85 114.638 114.638 119.123 -4.485 25069 2773 1 5 . 1 1 85 85 MET HA H 85 4.079 4.079 4.195 -0.116 25069 2774 1 5 . 1 1 85 85 MET C C 85 178.153 178.153 179.425 -1.272 25069 2775 1 5 . 1 1 85 85 MET CA C 85 58.444 58.444 57.778 0.666 25069 2776 1 5 . 1 1 85 85 MET CB C 85 32.523 32.523 31.450 1.073 25069 2777 1 5 . 1 1 85 85 MET H H 85 8.097 8.097 8.785 -0.688 25069 2778 1 5 . 1 1 86 86 SER N N 86 114.719 114.719 113.830 0.889 25069 2779 1 5 . 1 1 86 86 SER HA H 86 4.184 4.184 4.344 -0.160 25069 2780 1 5 . 1 1 86 86 SER C C 86 176.656 176.656 175.810 0.846 25069 2781 1 5 . 1 1 86 86 SER CA C 86 60.867 60.867 61.853 -0.986 25069 2782 1 5 . 1 1 86 86 SER CB C 86 63.250 63.250 62.809 0.441 25069 2783 1 5 . 1 1 86 86 SER H H 86 8.119 8.119 8.559 -0.440 25069 2784 1 5 . 1 1 87 87 ASN N N 87 119.754 119.754 119.623 0.131 25069 2785 1 5 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.693 -0.115 25069 2786 1 5 . 1 1 87 87 ASN C C 87 176.062 176.062 177.165 -1.103 25069 2787 1 5 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.778 0.398 25069 2788 1 5 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.880 -0.132 25069 2789 1 5 . 1 1 87 87 ASN H H 87 8.328 8.328 7.543 0.785 25069 2790 1 5 . 1 1 88 88 GLU N N 88 117.928 117.928 120.535 -2.607 25069 2791 1 5 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.070 -0.331 25069 2792 1 5 . 1 1 88 88 GLU C C 88 177.870 177.870 179.106 -1.236 25069 2793 1 5 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.363 -0.431 25069 2794 1 5 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.489 -0.208 25069 2795 1 5 . 1 1 88 88 GLU H H 88 7.747 7.747 8.708 -0.961 25069 2796 1 5 . 1 1 89 89 PHE N N 89 116.133 116.133 120.127 -3.994 25069 2797 1 5 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.391 -0.222 25069 2798 1 5 . 1 1 89 89 PHE C C 89 176.404 176.404 176.845 -0.441 25069 2799 1 5 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.262 -0.206 25069 2800 1 5 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.250 -0.408 25069 2801 1 5 . 1 1 89 89 PHE H H 89 7.465 7.465 8.446 -0.981 25069 2802 1 5 . 1 1 90 90 PHE N N 90 119.130 119.130 120.598 -1.468 25069 2803 1 5 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.047 0.008 25069 2804 1 5 . 1 1 90 90 PHE C C 90 176.420 176.420 176.413 0.007 25069 2805 1 5 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.755 -0.985 25069 2806 1 5 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.245 0.068 25069 2807 1 5 . 1 1 90 90 PHE H H 90 7.537 7.537 7.574 -0.037 25069 2808 1 5 . 1 1 91 91 GLU N N 91 118.971 118.971 117.506 1.465 25069 2809 1 5 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.215 -0.475 25069 2810 1 5 . 1 1 91 91 GLU C C 91 176.491 176.491 177.561 -1.070 25069 2811 1 5 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.449 -0.218 25069 2812 1 5 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.359 -0.311 25069 2813 1 5 . 1 1 91 91 GLU H H 91 7.938 7.938 8.028 -0.090 25069 2814 1 5 . 1 1 92 92 GLY N N 92 105.912 105.912 105.893 0.019 25069 2815 1 5 . 1 1 92 92 GLY C C 92 173.288 173.288 173.773 -0.485 25069 2816 1 5 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.813 0.251 25069 2817 1 5 . 1 1 92 92 GLY H H 92 7.201 7.201 7.791 -0.590 25069 2818 1 5 . 1 1 93 93 PHE N N 93 118.877 118.877 121.093 -2.216 25069 2819 1 5 . 1 1 93 93 PHE C C 93 174.128 174.128 173.266 0.862 25069 2820 1 5 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.926 1.282 25069 2821 1 5 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.784 -3.014 25069 2822 1 5 . 1 1 93 93 PHE H H 93 7.844 7.844 7.651 0.193 25069 2823 1 5 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.298 -0.092 25069 2824 1 5 . 1 1 94 94 PRO C C 94 176.669 176.669 175.172 1.497 25069 2825 1 5 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.464 0.237 25069 2826 1 5 . 1 1 94 94 PRO CB C 94 31.836 31.836 31.445 0.391 25069 2827 1 5 . 1 1 95 95 ASP N N 95 118.031 118.031 122.302 -4.271 25069 2828 1 5 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.781 -0.374 25069 2829 1 5 . 1 1 95 95 ASP C C 95 176.139 176.139 175.254 0.885 25069 2830 1 5 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.024 0.457 25069 2831 1 5 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.701 -0.680 25069 2832 1 5 . 1 1 95 95 ASP H H 95 8.144 8.144 8.157 -0.013 25069 2833 1 5 . 1 1 96 96 LYS N N 96 119.472 119.472 117.708 1.764 25069 2834 1 5 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.491 -0.354 25069 2835 1 5 . 1 1 96 96 LYS C C 96 176.212 176.212 175.542 0.670 25069 2836 1 5 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.388 -0.209 25069 2837 1 5 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.176 0.607 25069 2838 1 5 . 1 1 96 96 LYS H H 96 7.980 7.980 8.071 -0.091 25069 2839 1 5 . 1 1 97 97 GLN N N 97 120.185 120.185 119.811 0.374 25069 2840 1 5 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.697 -0.276 25069 2841 1 5 . 1 1 97 97 GLN C C 97 173.700 173.700 173.136 0.564 25069 2842 1 5 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.714 1.089 25069 2843 1 5 . 1 1 97 97 GLN CB C 97 28.732 28.732 29.221 -0.489 25069 2844 1 5 . 1 1 97 97 GLN H H 97 8.007 8.007 7.681 0.326 25069 2845 1 5 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.506 -0.263 25069 2846 1 5 . 1 1 98 98 PRO C C 98 176.605 176.605 176.683 -0.078 25069 2847 1 5 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.237 -0.223 25069 2848 1 5 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.368 0.569 25069 2849 1 5 . 1 1 99 99 ARG N N 99 120.677 120.677 124.021 -3.344 25069 2850 1 5 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.052 0.093 25069 2851 1 5 . 1 1 99 99 ARG C C 99 176.053 176.053 177.273 -1.220 25069 2852 1 5 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.882 -1.910 25069 2853 1 5 . 1 1 99 99 ARG CB C 99 30.894 30.894 29.812 1.082 25069 2854 1 5 . 1 1 99 99 ARG H H 99 8.254 8.254 8.251 0.003 25069 2855 1 5 . 1 1 100 100 LYS N N 100 122.775 122.775 118.291 4.484 25069 2856 1 5 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.179 -0.035 25069 2857 1 5 . 1 1 100 100 LYS C C 100 175.376 175.376 176.368 -0.992 25069 2858 1 5 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.034 -0.638 25069 2859 1 5 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.569 0.720 25069 2860 1 5 . 1 1 100 100 LYS H H 100 8.230 8.230 7.805 0.425 25069 2861 1 6 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.429 -0.220 25069 2862 1 6 . 1 1 2 2 ALA C C 2 173.983 173.983 176.396 -2.413 25069 2863 1 6 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.792 -0.190 25069 2864 1 6 . 1 1 2 2 ALA CB C 2 19.876 19.876 19.458 0.418 25069 2865 1 6 . 1 1 3 3 SER N N 3 121.630 121.630 115.802 5.828 25069 2866 1 6 . 1 1 3 3 SER C C 3 172.689 172.689 174.537 -1.848 25069 2867 1 6 . 1 1 3 3 SER CA C 3 56.943 56.943 58.429 -1.486 25069 2868 1 6 . 1 1 3 3 SER CB C 3 63.102 63.102 61.673 1.429 25069 2869 1 6 . 1 1 3 3 SER H H 3 9.907 9.907 8.333 1.574 25069 2870 1 6 . 1 1 4 4 PRO C C 4 179.695 179.695 178.697 0.998 25069 2871 1 6 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.198 0.535 25069 2872 1 6 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.741 0.039 25069 2873 1 6 . 1 1 5 5 LEU N N 5 118.522 118.522 118.255 0.267 25069 2874 1 6 . 1 1 5 5 LEU HA H 5 4.031 4.031 4.054 -0.023 25069 2875 1 6 . 1 1 5 5 LEU C C 5 177.968 177.968 178.438 -0.470 25069 2876 1 6 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.862 -0.214 25069 2877 1 6 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.805 0.830 25069 2878 1 6 . 1 1 5 5 LEU H H 5 8.277 8.277 7.595 0.682 25069 2879 1 6 . 1 1 6 6 GLU N N 6 118.997 118.997 119.741 -0.744 25069 2880 1 6 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.028 -0.332 25069 2881 1 6 . 1 1 6 6 GLU C C 6 180.177 180.177 178.945 1.232 25069 2882 1 6 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.212 1.127 25069 2883 1 6 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.904 0.930 25069 2884 1 6 . 1 1 6 6 GLU H H 6 8.130 8.130 8.289 -0.159 25069 2885 1 6 . 1 1 7 7 LYS N N 7 117.838 117.838 118.156 -0.318 25069 2886 1 6 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.174 -0.178 25069 2887 1 6 . 1 1 7 7 LYS C C 7 178.764 178.764 178.928 -0.164 25069 2888 1 6 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.916 1.440 25069 2889 1 6 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.791 0.368 25069 2890 1 6 . 1 1 7 7 LYS H H 7 8.341 8.341 7.865 0.476 25069 2891 1 6 . 1 1 8 8 ALA N N 8 122.327 122.327 122.042 0.285 25069 2892 1 6 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.173 -0.194 25069 2893 1 6 . 1 1 8 8 ALA C C 8 179.482 179.482 179.128 0.354 25069 2894 1 6 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.654 0.514 25069 2895 1 6 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.119 0.175 25069 2896 1 6 . 1 1 8 8 ALA H H 8 8.082 8.082 8.114 -0.032 25069 2897 1 6 . 1 1 9 9 LEU N N 9 118.212 118.212 118.326 -0.114 25069 2898 1 6 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.951 -0.004 25069 2899 1 6 . 1 1 9 9 LEU C C 9 178.844 178.844 178.753 0.091 25069 2900 1 6 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.283 0.926 25069 2901 1 6 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.310 0.306 25069 2902 1 6 . 1 1 9 9 LEU H H 9 8.042 8.042 7.728 0.314 25069 2903 1 6 . 1 1 10 10 ASP N N 10 117.997 117.997 119.117 -1.120 25069 2904 1 6 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.427 -0.040 25069 2905 1 6 . 1 1 10 10 ASP C C 10 179.582 179.582 178.315 1.267 25069 2906 1 6 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.156 0.614 25069 2907 1 6 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.073 -0.079 25069 2908 1 6 . 1 1 10 10 ASP H H 10 7.587 7.587 7.716 -0.129 25069 2909 1 6 . 1 1 11 11 VAL N N 11 120.702 120.702 120.264 0.438 25069 2910 1 6 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.811 -0.074 25069 2911 1 6 . 1 1 11 11 VAL C C 11 180.061 180.061 177.910 2.151 25069 2912 1 6 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.995 0.149 25069 2913 1 6 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.580 0.046 25069 2914 1 6 . 1 1 11 11 VAL H H 11 8.099 8.099 7.711 0.388 25069 2915 1 6 . 1 1 12 12 MET N N 12 123.185 123.185 121.322 1.863 25069 2916 1 6 . 1 1 12 12 MET HA H 12 3.921 3.921 4.190 -0.269 25069 2917 1 6 . 1 1 12 12 MET C C 12 178.871 178.871 178.072 0.799 25069 2918 1 6 . 1 1 12 12 MET CA C 12 60.784 60.784 58.314 2.470 25069 2919 1 6 . 1 1 12 12 MET CB C 12 32.579 32.579 31.643 0.936 25069 2920 1 6 . 1 1 12 12 MET H H 12 8.454 8.454 7.962 0.492 25069 2921 1 6 . 1 1 13 13 VAL N N 13 118.900 118.900 119.139 -0.239 25069 2922 1 6 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.705 0.220 25069 2923 1 6 . 1 1 13 13 VAL C C 13 177.712 177.712 178.522 -0.810 25069 2924 1 6 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.604 0.076 25069 2925 1 6 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.297 1.950 25069 2926 1 6 . 1 1 13 13 VAL H H 13 8.117 8.117 7.794 0.323 25069 2927 1 6 . 1 1 14 14 SER N N 14 114.675 114.675 114.697 -0.022 25069 2928 1 6 . 1 1 14 14 SER HA H 14 3.966 3.966 4.335 -0.369 25069 2929 1 6 . 1 1 14 14 SER C C 14 178.306 178.306 176.562 1.744 25069 2930 1 6 . 1 1 14 14 SER CA C 14 61.937 61.937 61.099 0.838 25069 2931 1 6 . 1 1 14 14 SER CB C 14 62.474 62.474 62.662 -0.188 25069 2932 1 6 . 1 1 14 14 SER H H 14 8.935 8.935 7.767 1.168 25069 2933 1 6 . 1 1 15 15 THR N N 15 117.582 117.582 119.707 -2.125 25069 2934 1 6 . 1 1 15 15 THR HA H 15 4.190 4.190 3.951 0.239 25069 2935 1 6 . 1 1 15 15 THR C C 15 174.459 174.459 175.852 -1.393 25069 2936 1 6 . 1 1 15 15 THR CA C 15 67.683 67.683 66.212 1.471 25069 2937 1 6 . 1 1 15 15 THR CB C 15 68.187 68.187 68.524 -0.337 25069 2938 1 6 . 1 1 15 15 THR H H 15 8.543 8.543 8.163 0.380 25069 2939 1 6 . 1 1 16 16 PHE N N 16 118.606 118.606 123.074 -4.468 25069 2940 1 6 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.814 -0.445 25069 2941 1 6 . 1 1 16 16 PHE C C 16 176.480 176.480 176.459 0.021 25069 2942 1 6 . 1 1 16 16 PHE CA C 16 62.481 62.481 62.065 0.416 25069 2943 1 6 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.778 0.458 25069 2944 1 6 . 1 1 16 16 PHE H H 16 6.809 6.809 8.426 -1.617 25069 2945 1 6 . 1 1 17 17 HIS N N 17 114.536 114.536 116.658 -2.122 25069 2946 1 6 . 1 1 17 17 HIS HA H 17 4.726 4.726 3.994 0.733 25069 2947 1 6 . 1 1 17 17 HIS C C 17 177.124 177.124 176.767 0.357 25069 2948 1 6 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.011 0.716 25069 2949 1 6 . 1 1 17 17 HIS CB C 17 30.148 30.148 28.902 1.246 25069 2950 1 6 . 1 1 17 17 HIS H H 17 6.955 6.955 7.870 -0.915 25069 2951 1 6 . 1 1 18 18 LYS N N 18 120.739 120.739 119.254 1.485 25069 2952 1 6 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.928 -0.210 25069 2953 1 6 . 1 1 18 18 LYS C C 18 177.006 177.006 177.431 -0.425 25069 2954 1 6 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.710 0.158 25069 2955 1 6 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.097 0.017 25069 2956 1 6 . 1 1 18 18 LYS H H 18 7.820 7.820 7.214 0.606 25069 2957 1 6 . 1 1 19 19 TYR N N 19 112.545 112.545 115.898 -3.353 25069 2958 1 6 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.299 -0.160 25069 2959 1 6 . 1 1 19 19 TYR C C 19 176.218 176.218 177.293 -1.075 25069 2960 1 6 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.137 -0.239 25069 2961 1 6 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.110 1.347 25069 2962 1 6 . 1 1 19 19 TYR H H 19 6.730 6.730 7.589 -0.859 25069 2963 1 6 . 1 1 20 20 SER N N 20 113.404 113.404 114.180 -0.776 25069 2964 1 6 . 1 1 20 20 SER HA H 20 3.385 3.385 4.393 -1.008 25069 2965 1 6 . 1 1 20 20 SER C C 20 176.961 176.961 175.770 1.191 25069 2966 1 6 . 1 1 20 20 SER CA C 20 61.866 61.866 59.715 2.151 25069 2967 1 6 . 1 1 20 20 SER CB C 20 60.904 60.904 62.764 -1.860 25069 2968 1 6 . 1 1 20 20 SER H H 20 8.493 8.493 8.149 0.344 25069 2969 1 6 . 1 1 21 21 GLY N N 21 109.001 109.001 108.863 0.138 25069 2970 1 6 . 1 1 21 21 GLY C C 21 173.502 173.502 174.273 -0.771 25069 2971 1 6 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.703 0.836 25069 2972 1 6 . 1 1 21 21 GLY H H 21 7.512 7.512 7.462 0.050 25069 2973 1 6 . 1 1 22 22 LYS N N 22 120.754 120.754 118.276 2.478 25069 2974 1 6 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.371 -0.576 25069 2975 1 6 . 1 1 22 22 LYS C C 22 177.354 177.354 176.272 1.082 25069 2976 1 6 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.739 3.268 25069 2977 1 6 . 1 1 22 22 LYS CB C 22 32.983 32.983 34.226 -1.243 25069 2978 1 6 . 1 1 22 22 LYS H H 22 6.958 6.958 8.592 -1.634 25069 2979 1 6 . 1 1 23 23 GLU N N 23 115.305 115.305 117.413 -2.108 25069 2980 1 6 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.472 -0.014 25069 2981 1 6 . 1 1 23 23 GLU C C 23 176.733 176.733 175.719 1.014 25069 2982 1 6 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.430 -0.995 25069 2983 1 6 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.754 2.600 25069 2984 1 6 . 1 1 23 23 GLU H H 23 9.425 9.425 8.705 0.720 25069 2985 1 6 . 1 1 24 24 GLY N N 24 112.542 112.542 114.174 -1.632 25069 2986 1 6 . 1 1 24 24 GLY C C 24 173.486 173.486 173.488 -0.002 25069 2987 1 6 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.800 0.542 25069 2988 1 6 . 1 1 24 24 GLY H H 24 8.879 8.879 8.436 0.443 25069 2989 1 6 . 1 1 25 25 ASP N N 25 125.117 125.117 123.888 1.229 25069 2990 1 6 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.877 -0.594 25069 2991 1 6 . 1 1 25 25 ASP C C 25 179.177 179.177 176.695 2.482 25069 2992 1 6 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.516 2.599 25069 2993 1 6 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.906 -1.170 25069 2994 1 6 . 1 1 25 25 ASP H H 25 8.423 8.423 8.095 0.328 25069 2995 1 6 . 1 1 26 26 LYS N N 26 131.175 131.175 124.277 6.898 25069 2996 1 6 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.370 -0.174 25069 2997 1 6 . 1 1 26 26 LYS C C 26 176.638 176.638 175.706 0.932 25069 2998 1 6 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.584 1.384 25069 2999 1 6 . 1 1 26 26 LYS CB C 26 31.223 31.223 31.711 -0.488 25069 3000 1 6 . 1 1 26 26 LYS H H 26 9.247 9.247 8.763 0.484 25069 3001 1 6 . 1 1 27 27 PHE N N 27 118.593 118.593 115.072 3.521 25069 3002 1 6 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.134 -0.435 25069 3003 1 6 . 1 1 27 27 PHE C C 27 173.452 173.452 174.169 -0.717 25069 3004 1 6 . 1 1 27 27 PHE CA C 27 56.032 56.032 58.056 -2.023 25069 3005 1 6 . 1 1 27 27 PHE CB C 27 39.091 39.091 41.059 -1.968 25069 3006 1 6 . 1 1 27 27 PHE H H 27 9.335 9.335 7.915 1.420 25069 3007 1 6 . 1 1 28 28 LYS N N 28 113.854 113.854 119.951 -6.097 25069 3008 1 6 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.315 -0.311 25069 3009 1 6 . 1 1 28 28 LYS C C 28 174.468 174.468 175.266 -0.798 25069 3010 1 6 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.411 -0.124 25069 3011 1 6 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.228 1.790 25069 3012 1 6 . 1 1 28 28 LYS H H 28 6.985 6.985 7.750 -0.765 25069 3013 1 6 . 1 1 29 29 LEU N N 29 124.858 124.858 125.680 -0.822 25069 3014 1 6 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.759 0.254 25069 3015 1 6 . 1 1 29 29 LEU C C 29 175.791 175.791 176.610 -0.819 25069 3016 1 6 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.707 -1.108 25069 3017 1 6 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.809 1.748 25069 3018 1 6 . 1 1 29 29 LEU H H 29 9.454 9.454 9.113 0.341 25069 3019 1 6 . 1 1 30 30 ASN N N 30 122.896 122.896 122.491 0.405 25069 3020 1 6 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.155 -0.577 25069 3021 1 6 . 1 1 30 30 ASN C C 30 174.969 174.969 176.752 -1.783 25069 3022 1 6 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.228 -1.130 25069 3023 1 6 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.621 -2.263 25069 3024 1 6 . 1 1 30 30 ASN H H 30 9.560 9.560 8.045 1.515 25069 3025 1 6 . 1 1 31 31 LYS N N 31 115.136 115.136 119.955 -4.819 25069 3026 1 6 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.854 0.016 25069 3027 1 6 . 1 1 31 31 LYS C C 31 177.992 177.992 178.598 -0.606 25069 3028 1 6 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.788 0.247 25069 3029 1 6 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.874 0.331 25069 3030 1 6 . 1 1 31 31 LYS H H 31 8.204 8.204 8.696 -0.492 25069 3031 1 6 . 1 1 32 32 SER N N 32 113.755 113.755 114.263 -0.508 25069 3032 1 6 . 1 1 32 32 SER HA H 32 3.939 3.939 4.081 -0.142 25069 3033 1 6 . 1 1 32 32 SER C C 32 177.484 177.484 176.323 1.161 25069 3034 1 6 . 1 1 32 32 SER CA C 32 61.374 61.374 61.567 -0.193 25069 3035 1 6 . 1 1 32 32 SER CB C 32 62.733 62.733 62.678 0.055 25069 3036 1 6 . 1 1 32 32 SER H H 32 7.575 7.575 8.242 -0.667 25069 3037 1 6 . 1 1 33 33 GLU N N 33 122.657 122.657 122.214 0.443 25069 3038 1 6 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.160 -0.247 25069 3039 1 6 . 1 1 33 33 GLU C C 33 178.560 178.560 179.068 -0.508 25069 3040 1 6 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.926 -0.084 25069 3041 1 6 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.711 1.488 25069 3042 1 6 . 1 1 33 33 GLU H H 33 8.608 8.608 7.655 0.953 25069 3043 1 6 . 1 1 34 34 LEU N N 34 117.375 117.375 122.123 -4.748 25069 3044 1 6 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.888 -0.083 25069 3045 1 6 . 1 1 34 34 LEU C C 34 177.693 177.693 178.167 -0.474 25069 3046 1 6 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.774 -0.998 25069 3047 1 6 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.877 -0.180 25069 3048 1 6 . 1 1 34 34 LEU H H 34 8.859 8.859 8.767 0.092 25069 3049 1 6 . 1 1 35 35 LYS N N 35 117.418 117.418 118.140 -0.722 25069 3050 1 6 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.027 0.499 25069 3051 1 6 . 1 1 35 35 LYS C C 35 179.129 179.129 179.064 0.065 25069 3052 1 6 . 1 1 35 35 LYS CA C 35 60.166 60.166 59.899 0.267 25069 3053 1 6 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.475 0.284 25069 3054 1 6 . 1 1 35 35 LYS H H 35 7.901 7.901 8.208 -0.307 25069 3055 1 6 . 1 1 36 36 GLU N N 36 120.491 120.491 120.572 -0.081 25069 3056 1 6 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.043 -0.324 25069 3057 1 6 . 1 1 36 36 GLU C C 36 176.354 176.354 178.986 -2.632 25069 3058 1 6 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.129 0.840 25069 3059 1 6 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.779 -0.386 25069 3060 1 6 . 1 1 36 36 GLU H H 36 7.619 7.619 7.615 0.004 25069 3061 1 6 . 1 1 37 37 LEU N N 37 120.058 120.058 121.339 -1.281 25069 3062 1 6 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.119 -0.694 25069 3063 1 6 . 1 1 37 37 LEU C C 37 179.412 179.412 178.879 0.533 25069 3064 1 6 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.637 1.800 25069 3065 1 6 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.768 0.036 25069 3066 1 6 . 1 1 37 37 LEU H H 37 7.762 7.762 8.395 -0.633 25069 3067 1 6 . 1 1 38 38 LEU N N 38 116.987 116.987 120.461 -3.474 25069 3068 1 6 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.247 -0.582 25069 3069 1 6 . 1 1 38 38 LEU C C 38 178.279 178.279 180.173 -1.894 25069 3070 1 6 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.205 0.473 25069 3071 1 6 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.899 1.415 25069 3072 1 6 . 1 1 38 38 LEU H H 38 8.532 8.532 8.786 -0.254 25069 3073 1 6 . 1 1 39 39 THR N N 39 108.650 108.650 111.505 -2.855 25069 3074 1 6 . 1 1 39 39 THR HA H 39 3.693 3.693 4.077 -0.384 25069 3075 1 6 . 1 1 39 39 THR C C 39 176.231 176.231 177.061 -0.830 25069 3076 1 6 . 1 1 39 39 THR CA C 39 65.997 65.997 66.357 -0.360 25069 3077 1 6 . 1 1 39 39 THR CB C 39 69.618 69.618 68.588 1.030 25069 3078 1 6 . 1 1 39 39 THR H H 39 7.883 7.883 8.553 -0.670 25069 3079 1 6 . 1 1 40 40 ARG N N 40 115.482 115.482 119.902 -4.420 25069 3080 1 6 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.271 -0.119 25069 3081 1 6 . 1 1 40 40 ARG C C 40 178.520 178.520 178.454 0.066 25069 3082 1 6 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.160 -0.125 25069 3083 1 6 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.734 0.511 25069 3084 1 6 . 1 1 40 40 ARG H H 40 8.015 8.015 8.008 0.007 25069 3085 1 6 . 1 1 41 41 GLU N N 41 112.106 112.106 116.889 -4.783 25069 3086 1 6 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.362 0.472 25069 3087 1 6 . 1 1 41 41 GLU C C 41 177.856 177.856 176.613 1.243 25069 3088 1 6 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.765 -1.567 25069 3089 1 6 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.404 -0.083 25069 3090 1 6 . 1 1 41 41 GLU H H 41 8.463 8.463 8.250 0.213 25069 3091 1 6 . 1 1 42 42 LEU N N 42 119.287 119.287 120.530 -1.243 25069 3092 1 6 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.937 0.115 25069 3093 1 6 . 1 1 42 42 LEU C C 42 174.457 174.457 174.879 -0.422 25069 3094 1 6 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.655 0.183 25069 3095 1 6 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.214 1.869 25069 3096 1 6 . 1 1 42 42 LEU H H 42 7.688 7.688 7.677 0.011 25069 3097 1 6 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.437 -0.233 25069 3098 1 6 . 1 1 43 43 PRO C C 43 179.969 179.969 178.787 1.182 25069 3099 1 6 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.704 -0.015 25069 3100 1 6 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.035 -1.208 25069 3101 1 6 . 1 1 44 44 SER N N 44 114.352 114.352 113.716 0.636 25069 3102 1 6 . 1 1 44 44 SER HA H 44 4.093 4.093 4.271 -0.178 25069 3103 1 6 . 1 1 44 44 SER C C 44 175.709 175.709 176.215 -0.506 25069 3104 1 6 . 1 1 44 44 SER CA C 44 60.793 60.793 61.152 -0.359 25069 3105 1 6 . 1 1 44 44 SER CB C 44 62.400 62.400 62.875 -0.475 25069 3106 1 6 . 1 1 44 44 SER H H 44 8.674 8.674 8.193 0.481 25069 3107 1 6 . 1 1 45 45 PHE N N 45 121.558 121.558 121.108 0.450 25069 3108 1 6 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.180 -0.028 25069 3109 1 6 . 1 1 45 45 PHE C C 45 176.441 176.441 177.137 -0.696 25069 3110 1 6 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.128 -0.794 25069 3111 1 6 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.096 0.693 25069 3112 1 6 . 1 1 45 45 PHE H H 45 7.952 7.952 8.297 -0.345 25069 3113 1 6 . 1 1 46 46 LEU N N 46 117.590 117.590 115.609 1.981 25069 3114 1 6 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.489 -0.653 25069 3115 1 6 . 1 1 46 46 LEU C C 46 178.236 178.236 178.113 0.123 25069 3116 1 6 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.735 1.409 25069 3117 1 6 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.011 0.505 25069 3118 1 6 . 1 1 46 46 LEU H H 46 7.906 7.906 8.157 -0.251 25069 3119 1 6 . 1 1 47 47 GLY N N 47 104.817 104.817 108.561 -3.744 25069 3120 1 6 . 1 1 47 47 GLY C C 47 174.665 174.665 175.756 -1.091 25069 3121 1 6 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.789 -0.804 25069 3122 1 6 . 1 1 47 47 GLY H H 47 7.646 7.646 7.506 0.140 25069 3123 1 6 . 1 1 48 48 LYS N N 48 120.422 120.422 118.706 1.716 25069 3124 1 6 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.187 -0.035 25069 3125 1 6 . 1 1 48 48 LYS C C 48 177.029 177.029 176.637 0.392 25069 3126 1 6 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.257 -0.777 25069 3127 1 6 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.888 -0.636 25069 3128 1 6 . 1 1 48 48 LYS H H 48 8.400 8.400 7.434 0.966 25069 3129 1 6 . 1 1 49 49 ARG N N 49 119.815 119.815 119.800 0.015 25069 3130 1 6 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.388 -0.085 25069 3131 1 6 . 1 1 49 49 ARG C C 49 175.183 175.183 173.729 1.454 25069 3132 1 6 . 1 1 49 49 ARG CA C 49 55.699 55.699 56.126 -0.427 25069 3133 1 6 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.137 -1.630 25069 3134 1 6 . 1 1 49 49 ARG H H 49 7.801 7.801 7.612 0.189 25069 3135 1 6 . 1 1 50 50 THR N N 50 110.525 110.525 114.443 -3.918 25069 3136 1 6 . 1 1 50 50 THR HA H 50 4.091 4.091 4.396 -0.305 25069 3137 1 6 . 1 1 50 50 THR C C 50 174.108 174.108 173.334 0.774 25069 3138 1 6 . 1 1 50 50 THR CA C 50 61.579 61.579 60.798 0.780 25069 3139 1 6 . 1 1 50 50 THR CB C 50 69.136 69.136 70.116 -0.980 25069 3140 1 6 . 1 1 50 50 THR H H 50 7.808 7.808 8.031 -0.223 25069 3141 1 6 . 1 1 51 51 ASP N N 51 121.073 121.073 124.831 -3.758 25069 3142 1 6 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.658 -0.098 25069 3143 1 6 . 1 1 51 51 ASP C C 51 175.715 175.715 175.609 0.106 25069 3144 1 6 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.630 -0.576 25069 3145 1 6 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.127 -1.316 25069 3146 1 6 . 1 1 51 51 ASP H H 51 7.924 7.924 7.940 -0.016 25069 3147 1 6 . 1 1 52 52 GLU N N 52 120.418 120.418 123.507 -3.089 25069 3148 1 6 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.352 -0.310 25069 3149 1 6 . 1 1 52 52 GLU C C 52 178.726 178.726 178.010 0.716 25069 3150 1 6 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.155 -0.595 25069 3151 1 6 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.895 -0.511 25069 3152 1 6 . 1 1 52 52 GLU H H 52 8.515 8.515 9.015 -0.500 25069 3153 1 6 . 1 1 53 53 ALA N N 53 120.807 120.807 121.070 -0.263 25069 3154 1 6 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.167 -0.131 25069 3155 1 6 . 1 1 53 53 ALA C C 53 180.416 180.416 179.242 1.174 25069 3156 1 6 . 1 1 53 53 ALA CA C 53 55.141 55.141 55.008 0.133 25069 3157 1 6 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.159 -0.215 25069 3158 1 6 . 1 1 53 53 ALA H H 53 8.242 8.242 8.713 -0.471 25069 3159 1 6 . 1 1 54 54 ALA N N 54 121.069 121.069 122.051 -0.982 25069 3160 1 6 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.049 -0.122 25069 3161 1 6 . 1 1 54 54 ALA C C 54 180.846 180.846 179.677 1.169 25069 3162 1 6 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.709 0.269 25069 3163 1 6 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.118 0.219 25069 3164 1 6 . 1 1 54 54 ALA H H 54 7.874 7.874 7.748 0.126 25069 3165 1 6 . 1 1 55 55 PHE N N 55 118.066 118.066 118.615 -0.549 25069 3166 1 6 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.129 -0.162 25069 3167 1 6 . 1 1 55 55 PHE C C 55 177.160 177.160 177.819 -0.659 25069 3168 1 6 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.042 -0.013 25069 3169 1 6 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.349 0.483 25069 3170 1 6 . 1 1 55 55 PHE H H 55 8.013 8.013 8.562 -0.549 25069 3171 1 6 . 1 1 56 56 GLN N N 56 118.474 118.474 119.331 -0.857 25069 3172 1 6 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.017 -0.277 25069 3173 1 6 . 1 1 56 56 GLN C C 56 178.531 178.531 178.329 0.202 25069 3174 1 6 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.090 -0.258 25069 3175 1 6 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.184 -0.331 25069 3176 1 6 . 1 1 56 56 GLN H H 56 8.265 8.265 8.442 -0.177 25069 3177 1 6 . 1 1 57 57 LYS N N 57 119.207 119.207 119.839 -0.632 25069 3178 1 6 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.083 -0.230 25069 3179 1 6 . 1 1 57 57 LYS C C 57 178.458 178.458 179.053 -0.595 25069 3180 1 6 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.051 0.026 25069 3181 1 6 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.068 0.066 25069 3182 1 6 . 1 1 57 57 LYS H H 57 7.622 7.622 7.994 -0.372 25069 3183 1 6 . 1 1 58 58 LEU N N 58 119.398 119.398 121.954 -2.556 25069 3184 1 6 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.950 -0.045 25069 3185 1 6 . 1 1 58 58 LEU C C 58 178.444 178.444 178.386 0.058 25069 3186 1 6 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.749 0.372 25069 3187 1 6 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.683 -0.029 25069 3188 1 6 . 1 1 58 58 LEU H H 58 7.504 7.504 8.253 -0.749 25069 3189 1 6 . 1 1 59 59 MET N N 59 116.434 116.434 119.842 -3.408 25069 3190 1 6 . 1 1 59 59 MET HA H 59 3.614 3.614 3.916 -0.302 25069 3191 1 6 . 1 1 59 59 MET C C 59 177.513 177.513 178.065 -0.552 25069 3192 1 6 . 1 1 59 59 MET CA C 59 58.765 58.765 58.631 0.134 25069 3193 1 6 . 1 1 59 59 MET CB C 59 31.060 31.060 31.475 -0.415 25069 3194 1 6 . 1 1 59 59 MET H H 59 8.049 8.049 8.802 -0.753 25069 3195 1 6 . 1 1 60 60 SER N N 60 111.447 111.447 114.057 -2.610 25069 3196 1 6 . 1 1 60 60 SER HA H 60 4.066 4.066 4.127 -0.061 25069 3197 1 6 . 1 1 60 60 SER C C 60 175.986 175.986 176.488 -0.502 25069 3198 1 6 . 1 1 60 60 SER CA C 60 61.416 61.416 61.394 0.022 25069 3199 1 6 . 1 1 60 60 SER CB C 60 62.945 62.945 62.677 0.268 25069 3200 1 6 . 1 1 60 60 SER H H 60 7.839 7.839 7.881 -0.042 25069 3201 1 6 . 1 1 61 61 ASN N N 61 117.559 117.559 118.675 -1.116 25069 3202 1 6 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.604 -0.254 25069 3203 1 6 . 1 1 61 61 ASN C C 61 176.377 176.377 177.414 -1.037 25069 3204 1 6 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.311 -0.308 25069 3205 1 6 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.849 0.024 25069 3206 1 6 . 1 1 61 61 ASN H H 61 7.615 7.615 7.728 -0.113 25069 3207 1 6 . 1 1 62 62 LEU N N 62 117.926 117.926 117.894 0.032 25069 3208 1 6 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.193 -0.165 25069 3209 1 6 . 1 1 62 62 LEU C C 62 178.394 178.394 177.581 0.813 25069 3210 1 6 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.647 0.350 25069 3211 1 6 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.163 1.239 25069 3212 1 6 . 1 1 62 62 LEU H H 62 7.719 7.719 8.053 -0.334 25069 3213 1 6 . 1 1 63 63 ASP N N 63 115.899 115.899 119.263 -3.364 25069 3214 1 6 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.907 -0.339 25069 3215 1 6 . 1 1 63 63 ASP C C 63 176.866 176.866 176.412 0.454 25069 3216 1 6 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.860 -1.120 25069 3217 1 6 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.057 -0.571 25069 3218 1 6 . 1 1 63 63 ASP H H 63 7.707 7.707 8.383 -0.676 25069 3219 1 6 . 1 1 64 64 SER N N 64 121.158 121.158 123.362 -2.204 25069 3220 1 6 . 1 1 64 64 SER HA H 64 4.080 4.080 4.391 -0.311 25069 3221 1 6 . 1 1 64 64 SER C C 64 175.780 175.780 175.387 0.393 25069 3222 1 6 . 1 1 64 64 SER CA C 64 60.698 60.698 60.163 0.536 25069 3223 1 6 . 1 1 64 64 SER CB C 64 63.034 63.034 63.330 -0.296 25069 3224 1 6 . 1 1 64 64 SER H H 64 8.034 8.034 8.967 -0.933 25069 3225 1 6 . 1 1 65 65 ASN N N 65 115.443 115.443 119.154 -3.711 25069 3226 1 6 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.655 0.009 25069 3227 1 6 . 1 1 65 65 ASN C C 65 174.775 174.775 175.077 -0.302 25069 3228 1 6 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.474 -1.475 25069 3229 1 6 . 1 1 65 65 ASN CB C 65 37.171 37.171 39.243 -2.072 25069 3230 1 6 . 1 1 65 65 ASN H H 65 8.055 8.055 8.040 0.015 25069 3231 1 6 . 1 1 66 66 ARG N N 66 114.242 114.242 117.644 -3.402 25069 3232 1 6 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.164 -0.237 25069 3233 1 6 . 1 1 66 66 ARG C C 66 175.354 175.354 174.942 0.412 25069 3234 1 6 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.964 0.195 25069 3235 1 6 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.271 -0.418 25069 3236 1 6 . 1 1 66 66 ARG H H 66 7.560 7.560 8.254 -0.694 25069 3237 1 6 . 1 1 67 67 ASP N N 67 118.260 118.260 119.971 -1.711 25069 3238 1 6 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.771 -0.169 25069 3239 1 6 . 1 1 67 67 ASP C C 67 177.143 177.143 176.173 0.970 25069 3240 1 6 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.208 -0.189 25069 3241 1 6 . 1 1 67 67 ASP CB C 67 40.704 40.704 42.129 -1.425 25069 3242 1 6 . 1 1 67 67 ASP H H 67 8.406 8.406 9.255 -0.849 25069 3243 1 6 . 1 1 68 68 ASN N N 68 115.091 115.091 115.367 -0.276 25069 3244 1 6 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.376 -0.397 25069 3245 1 6 . 1 1 68 68 ASN C C 68 173.046 173.046 173.438 -0.392 25069 3246 1 6 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.889 0.448 25069 3247 1 6 . 1 1 68 68 ASN CB C 68 37.890 37.890 38.170 -0.280 25069 3248 1 6 . 1 1 68 68 ASN H H 68 10.021 10.021 8.900 1.121 25069 3249 1 6 . 1 1 69 69 GLU N N 69 115.671 115.671 116.862 -1.191 25069 3250 1 6 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.125 -0.427 25069 3251 1 6 . 1 1 69 69 GLU C C 69 175.335 175.335 174.967 0.368 25069 3252 1 6 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.035 -0.164 25069 3253 1 6 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.157 2.476 25069 3254 1 6 . 1 1 69 69 GLU H H 69 7.724 7.724 7.739 -0.015 25069 3255 1 6 . 1 1 70 70 VAL N N 70 124.606 124.606 125.483 -0.877 25069 3256 1 6 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.283 0.852 25069 3257 1 6 . 1 1 70 70 VAL C C 70 175.876 175.876 176.123 -0.247 25069 3258 1 6 . 1 1 70 70 VAL CA C 70 61.142 61.142 63.298 -2.156 25069 3259 1 6 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.474 1.083 25069 3260 1 6 . 1 1 70 70 VAL H H 70 9.814 9.814 8.733 1.081 25069 3261 1 6 . 1 1 71 71 ASP N N 71 127.612 127.612 127.876 -0.264 25069 3262 1 6 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.594 -0.569 25069 3263 1 6 . 1 1 71 71 ASP C C 71 175.018 175.018 177.804 -2.786 25069 3264 1 6 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.260 -0.699 25069 3265 1 6 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.281 -1.302 25069 3266 1 6 . 1 1 71 71 ASP H H 71 8.896 8.896 9.159 -0.263 25069 3267 1 6 . 1 1 72 72 PHE N N 72 117.738 117.738 118.771 -1.033 25069 3268 1 6 . 1 1 72 72 PHE C C 72 177.390 177.390 177.845 -0.455 25069 3269 1 6 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.456 0.570 25069 3270 1 6 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.577 0.651 25069 3271 1 6 . 1 1 72 72 PHE H H 72 8.993 8.993 8.435 0.558 25069 3272 1 6 . 1 1 73 73 GLN N N 73 120.479 120.479 118.615 1.864 25069 3273 1 6 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.921 -0.117 25069 3274 1 6 . 1 1 73 73 GLN C C 73 178.583 178.583 177.889 0.694 25069 3275 1 6 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.439 0.621 25069 3276 1 6 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.731 -0.903 25069 3277 1 6 . 1 1 73 73 GLN H H 73 8.246 8.246 9.439 -1.193 25069 3278 1 6 . 1 1 74 74 GLU N N 74 120.179 120.179 119.806 0.373 25069 3279 1 6 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.058 -0.214 25069 3280 1 6 . 1 1 74 74 GLU C C 74 180.584 180.584 179.345 1.239 25069 3281 1 6 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.444 -0.431 25069 3282 1 6 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.597 0.809 25069 3283 1 6 . 1 1 74 74 GLU H H 74 8.782 8.782 9.244 -0.462 25069 3284 1 6 . 1 1 75 75 TYR N N 75 122.109 122.109 120.401 1.708 25069 3285 1 6 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.514 -0.502 25069 3286 1 6 . 1 1 75 75 TYR C C 75 175.383 175.383 177.418 -2.035 25069 3287 1 6 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.350 -1.127 25069 3288 1 6 . 1 1 75 75 TYR CB C 75 38.790 38.790 39.032 -0.242 25069 3289 1 6 . 1 1 75 75 TYR H H 75 8.619 8.619 8.450 0.169 25069 3290 1 6 . 1 1 76 76 SER N N 76 117.790 117.790 117.507 0.283 25069 3291 1 6 . 1 1 76 76 SER HA H 76 3.326 3.326 4.206 -0.880 25069 3292 1 6 . 1 1 76 76 SER C C 76 176.930 176.930 176.705 0.225 25069 3293 1 6 . 1 1 76 76 SER CA C 76 62.377 62.377 62.761 -0.384 25069 3294 1 6 . 1 1 76 76 SER CB C 76 62.573 62.573 62.933 -0.360 25069 3295 1 6 . 1 1 76 76 SER H H 76 8.654 8.654 8.413 0.241 25069 3296 1 6 . 1 1 77 77 VAL N N 77 123.033 123.033 122.545 0.488 25069 3297 1 6 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.733 -0.154 25069 3298 1 6 . 1 1 77 77 VAL C C 77 178.969 178.969 177.536 1.433 25069 3299 1 6 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.046 0.050 25069 3300 1 6 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.370 0.607 25069 3301 1 6 . 1 1 77 77 VAL H H 77 7.844 7.844 8.664 -0.820 25069 3302 1 6 . 1 1 78 78 PHE N N 78 121.473 121.473 121.868 -0.395 25069 3303 1 6 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.050 0.298 25069 3304 1 6 . 1 1 78 78 PHE C C 78 177.726 177.726 176.576 1.150 25069 3305 1 6 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.189 -0.860 25069 3306 1 6 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.257 0.287 25069 3307 1 6 . 1 1 78 78 PHE H H 78 7.439 7.439 7.495 -0.056 25069 3308 1 6 . 1 1 79 79 LEU N N 79 118.574 118.574 118.151 0.423 25069 3309 1 6 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.332 -0.102 25069 3310 1 6 . 1 1 79 79 LEU C C 79 178.837 178.837 178.889 -0.052 25069 3311 1 6 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.681 0.049 25069 3312 1 6 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.977 -0.525 25069 3313 1 6 . 1 1 79 79 LEU H H 79 8.298 8.298 8.072 0.226 25069 3314 1 6 . 1 1 80 80 SER N N 80 112.827 112.827 116.554 -3.727 25069 3315 1 6 . 1 1 80 80 SER HA H 80 3.978 3.978 4.073 -0.095 25069 3316 1 6 . 1 1 80 80 SER C C 80 175.796 175.796 176.793 -0.997 25069 3317 1 6 . 1 1 80 80 SER CA C 80 62.278 62.278 62.449 -0.171 25069 3318 1 6 . 1 1 80 80 SER CB C 80 63.148 63.148 62.268 0.880 25069 3319 1 6 . 1 1 80 80 SER H H 80 7.728 7.728 8.528 -0.800 25069 3320 1 6 . 1 1 81 81 SER N N 81 117.584 117.584 118.547 -0.963 25069 3321 1 6 . 1 1 81 81 SER HA H 81 4.151 4.151 4.164 -0.013 25069 3322 1 6 . 1 1 81 81 SER C C 81 176.761 176.761 176.657 0.104 25069 3323 1 6 . 1 1 81 81 SER CA C 81 61.673 61.673 62.172 -0.499 25069 3324 1 6 . 1 1 81 81 SER CB C 81 62.441 62.441 62.900 -0.459 25069 3325 1 6 . 1 1 81 81 SER H H 81 7.703 7.703 8.242 -0.539 25069 3326 1 6 . 1 1 82 82 ILE N N 82 122.194 122.194 122.058 0.136 25069 3327 1 6 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.685 -0.037 25069 3328 1 6 . 1 1 82 82 ILE C C 82 178.743 178.743 177.537 1.206 25069 3329 1 6 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.415 -1.266 25069 3330 1 6 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.383 -0.658 25069 3331 1 6 . 1 1 82 82 ILE H H 82 7.490 7.490 7.771 -0.281 25069 3332 1 6 . 1 1 83 83 ALA N N 83 123.288 123.288 122.391 0.897 25069 3333 1 6 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.945 -0.131 25069 3334 1 6 . 1 1 83 83 ALA C C 83 179.019 179.019 179.865 -0.846 25069 3335 1 6 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.189 0.338 25069 3336 1 6 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.246 -0.597 25069 3337 1 6 . 1 1 83 83 ALA H H 83 8.190 8.190 8.172 0.018 25069 3338 1 6 . 1 1 84 84 MET N N 84 114.549 114.549 117.901 -3.352 25069 3339 1 6 . 1 1 84 84 MET HA H 84 4.660 4.660 4.361 0.299 25069 3340 1 6 . 1 1 84 84 MET C C 84 174.776 174.776 178.926 -4.150 25069 3341 1 6 . 1 1 84 84 MET CA C 84 58.603 58.603 59.086 -0.483 25069 3342 1 6 . 1 1 84 84 MET CB C 84 37.147 37.147 32.810 4.337 25069 3343 1 6 . 1 1 84 84 MET H H 84 8.060 8.060 8.423 -0.363 25069 3344 1 6 . 1 1 85 85 MET N N 85 114.638 114.638 118.748 -4.110 25069 3345 1 6 . 1 1 85 85 MET HA H 85 4.079 4.079 4.208 -0.129 25069 3346 1 6 . 1 1 85 85 MET C C 85 178.153 178.153 178.784 -0.631 25069 3347 1 6 . 1 1 85 85 MET CA C 85 58.444 58.444 58.543 -0.099 25069 3348 1 6 . 1 1 85 85 MET CB C 85 32.523 32.523 31.771 0.751 25069 3349 1 6 . 1 1 85 85 MET H H 85 8.097 8.097 8.560 -0.463 25069 3350 1 6 . 1 1 86 86 SER N N 86 114.719 114.719 114.798 -0.079 25069 3351 1 6 . 1 1 86 86 SER HA H 86 4.184 4.184 4.362 -0.178 25069 3352 1 6 . 1 1 86 86 SER C C 86 176.656 176.656 176.024 0.632 25069 3353 1 6 . 1 1 86 86 SER CA C 86 60.867 60.867 60.991 -0.124 25069 3354 1 6 . 1 1 86 86 SER CB C 86 63.250 63.250 62.970 0.280 25069 3355 1 6 . 1 1 86 86 SER H H 86 8.119 8.119 8.700 -0.581 25069 3356 1 6 . 1 1 87 87 ASN N N 87 119.754 119.754 118.171 1.583 25069 3357 1 6 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.755 -0.177 25069 3358 1 6 . 1 1 87 87 ASN C C 87 176.062 176.062 177.576 -1.514 25069 3359 1 6 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.366 0.810 25069 3360 1 6 . 1 1 87 87 ASN CB C 87 38.748 38.748 39.114 -0.366 25069 3361 1 6 . 1 1 87 87 ASN H H 87 8.328 8.328 7.931 0.397 25069 3362 1 6 . 1 1 88 88 GLU N N 88 117.928 117.928 121.484 -3.556 25069 3363 1 6 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.083 -0.344 25069 3364 1 6 . 1 1 88 88 GLU C C 88 177.870 177.870 178.898 -1.028 25069 3365 1 6 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.987 -0.055 25069 3366 1 6 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.181 0.100 25069 3367 1 6 . 1 1 88 88 GLU H H 88 7.747 7.747 8.680 -0.933 25069 3368 1 6 . 1 1 89 89 PHE N N 89 116.133 116.133 118.242 -2.109 25069 3369 1 6 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.408 -0.239 25069 3370 1 6 . 1 1 89 89 PHE C C 89 176.404 176.404 177.760 -1.356 25069 3371 1 6 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.721 -0.666 25069 3372 1 6 . 1 1 89 89 PHE CB C 89 38.842 38.842 38.748 0.094 25069 3373 1 6 . 1 1 89 89 PHE H H 89 7.465 7.465 8.360 -0.895 25069 3374 1 6 . 1 1 90 90 PHE N N 90 119.130 119.130 120.642 -1.512 25069 3375 1 6 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.213 -0.159 25069 3376 1 6 . 1 1 90 90 PHE C C 90 176.420 176.420 176.561 -0.141 25069 3377 1 6 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.840 -1.070 25069 3378 1 6 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.251 0.062 25069 3379 1 6 . 1 1 90 90 PHE H H 90 7.537 7.537 7.598 -0.061 25069 3380 1 6 . 1 1 91 91 GLU N N 91 118.971 118.971 117.551 1.420 25069 3381 1 6 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.212 -0.472 25069 3382 1 6 . 1 1 91 91 GLU C C 91 176.491 176.491 177.424 -0.933 25069 3383 1 6 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.312 -0.081 25069 3384 1 6 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.529 -0.481 25069 3385 1 6 . 1 1 91 91 GLU H H 91 7.938 7.938 8.011 -0.073 25069 3386 1 6 . 1 1 92 92 GLY N N 92 105.912 105.912 105.341 0.571 25069 3387 1 6 . 1 1 92 92 GLY C C 92 173.288 173.288 173.937 -0.649 25069 3388 1 6 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.952 0.112 25069 3389 1 6 . 1 1 92 92 GLY H H 92 7.201 7.201 7.811 -0.610 25069 3390 1 6 . 1 1 93 93 PHE N N 93 118.877 118.877 120.150 -1.273 25069 3391 1 6 . 1 1 93 93 PHE C C 93 174.128 174.128 172.999 1.129 25069 3392 1 6 . 1 1 93 93 PHE CA C 93 56.209 56.209 55.831 0.378 25069 3393 1 6 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.608 -2.838 25069 3394 1 6 . 1 1 93 93 PHE H H 93 7.844 7.844 7.644 0.200 25069 3395 1 6 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.595 -0.389 25069 3396 1 6 . 1 1 94 94 PRO C C 94 176.669 176.669 175.178 1.491 25069 3397 1 6 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.048 0.653 25069 3398 1 6 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.801 1.035 25069 3399 1 6 . 1 1 95 95 ASP N N 95 118.031 118.031 123.421 -5.390 25069 3400 1 6 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.816 -0.409 25069 3401 1 6 . 1 1 95 95 ASP C C 95 176.139 176.139 176.843 -0.704 25069 3402 1 6 . 1 1 95 95 ASP CA C 95 54.481 54.481 55.215 -0.734 25069 3403 1 6 . 1 1 95 95 ASP CB C 95 41.021 41.021 43.236 -2.215 25069 3404 1 6 . 1 1 95 95 ASP H H 95 8.144 8.144 8.672 -0.528 25069 3405 1 6 . 1 1 96 96 LYS N N 96 119.472 119.472 118.769 0.703 25069 3406 1 6 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.211 -0.074 25069 3407 1 6 . 1 1 96 96 LYS C C 96 176.212 176.212 176.869 -0.657 25069 3408 1 6 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.275 -1.096 25069 3409 1 6 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.572 0.211 25069 3410 1 6 . 1 1 96 96 LYS H H 96 7.980 7.980 7.642 0.338 25069 3411 1 6 . 1 1 97 97 GLN N N 97 120.185 120.185 119.851 0.334 25069 3412 1 6 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.573 -0.152 25069 3413 1 6 . 1 1 97 97 GLN C C 97 173.700 173.700 174.608 -0.908 25069 3414 1 6 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.350 0.453 25069 3415 1 6 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.772 0.960 25069 3416 1 6 . 1 1 97 97 GLN H H 97 8.007 8.007 7.720 0.287 25069 3417 1 6 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.351 -0.108 25069 3418 1 6 . 1 1 98 98 PRO C C 98 176.605 176.605 178.121 -1.516 25069 3419 1 6 . 1 1 98 98 PRO CA C 98 63.014 63.014 64.270 -1.256 25069 3420 1 6 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.855 0.082 25069 3421 1 6 . 1 1 99 99 ARG N N 99 120.677 120.677 114.682 5.995 25069 3422 1 6 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.831 0.314 25069 3423 1 6 . 1 1 99 99 ARG C C 99 176.053 176.053 176.563 -0.510 25069 3424 1 6 . 1 1 99 99 ARG CA C 99 55.972 55.972 58.849 -2.877 25069 3425 1 6 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.007 2.887 25069 3426 1 6 . 1 1 99 99 ARG H H 99 8.254 8.254 8.570 -0.316 25069 3427 1 6 . 1 1 100 100 LYS N N 100 122.775 122.775 121.040 1.735 25069 3428 1 6 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.180 -0.036 25069 3429 1 6 . 1 1 100 100 LYS C C 100 175.376 175.376 176.129 -0.753 25069 3430 1 6 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.803 -0.407 25069 3431 1 6 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.833 0.456 25069 3432 1 6 . 1 1 100 100 LYS H H 100 8.230 8.230 7.879 0.351 25069 3433 1 7 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.608 -0.399 25069 3434 1 7 . 1 1 2 2 ALA C C 2 173.983 173.983 177.027 -3.044 25069 3435 1 7 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.589 0.013 25069 3436 1 7 . 1 1 2 2 ALA CB C 2 19.876 19.876 20.441 -0.565 25069 3437 1 7 . 1 1 3 3 SER N N 3 121.630 121.630 118.693 2.937 25069 3438 1 7 . 1 1 3 3 SER C C 3 172.689 172.689 174.558 -1.869 25069 3439 1 7 . 1 1 3 3 SER CA C 3 56.943 56.943 58.408 -1.465 25069 3440 1 7 . 1 1 3 3 SER CB C 3 63.102 63.102 61.772 1.330 25069 3441 1 7 . 1 1 3 3 SER H H 3 9.907 9.907 8.508 1.399 25069 3442 1 7 . 1 1 4 4 PRO C C 4 179.695 179.695 178.952 0.743 25069 3443 1 7 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.872 -0.138 25069 3444 1 7 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.499 0.281 25069 3445 1 7 . 1 1 5 5 LEU N N 5 118.522 118.522 119.464 -0.942 25069 3446 1 7 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.976 0.055 25069 3447 1 7 . 1 1 5 5 LEU C C 5 177.968 177.968 177.988 -0.020 25069 3448 1 7 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.554 0.093 25069 3449 1 7 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.776 0.859 25069 3450 1 7 . 1 1 5 5 LEU H H 5 8.277 8.277 7.850 0.427 25069 3451 1 7 . 1 1 6 6 GLU N N 6 118.997 118.997 117.545 1.452 25069 3452 1 7 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.893 -0.197 25069 3453 1 7 . 1 1 6 6 GLU C C 6 180.177 180.177 178.675 1.502 25069 3454 1 7 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.349 0.990 25069 3455 1 7 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.031 0.803 25069 3456 1 7 . 1 1 6 6 GLU H H 6 8.130 8.130 8.996 -0.866 25069 3457 1 7 . 1 1 7 7 LYS N N 7 117.838 117.838 118.661 -0.823 25069 3458 1 7 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.253 -0.257 25069 3459 1 7 . 1 1 7 7 LYS C C 7 178.764 178.764 178.437 0.327 25069 3460 1 7 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.666 1.690 25069 3461 1 7 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.928 0.231 25069 3462 1 7 . 1 1 7 7 LYS H H 7 8.341 8.341 7.957 0.384 25069 3463 1 7 . 1 1 8 8 ALA N N 8 122.327 122.327 121.773 0.554 25069 3464 1 7 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.214 -0.235 25069 3465 1 7 . 1 1 8 8 ALA C C 8 179.482 179.482 179.380 0.102 25069 3466 1 7 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.539 0.629 25069 3467 1 7 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.146 0.148 25069 3468 1 7 . 1 1 8 8 ALA H H 8 8.082 8.082 7.185 0.897 25069 3469 1 7 . 1 1 9 9 LEU N N 9 118.212 118.212 116.784 1.428 25069 3470 1 7 . 1 1 9 9 LEU HA H 9 3.947 3.947 4.016 -0.069 25069 3471 1 7 . 1 1 9 9 LEU C C 9 178.844 178.844 178.743 0.101 25069 3472 1 7 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.171 1.038 25069 3473 1 7 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.333 0.283 25069 3474 1 7 . 1 1 9 9 LEU H H 9 8.042 8.042 8.104 -0.062 25069 3475 1 7 . 1 1 10 10 ASP N N 10 117.997 117.997 119.149 -1.152 25069 3476 1 7 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.454 -0.067 25069 3477 1 7 . 1 1 10 10 ASP C C 10 179.582 179.582 178.414 1.168 25069 3478 1 7 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.180 0.590 25069 3479 1 7 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.008 -0.014 25069 3480 1 7 . 1 1 10 10 ASP H H 10 7.587 7.587 7.850 -0.263 25069 3481 1 7 . 1 1 11 11 VAL N N 11 120.702 120.702 119.684 1.018 25069 3482 1 7 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.826 -0.089 25069 3483 1 7 . 1 1 11 11 VAL C C 11 180.061 180.061 177.618 2.443 25069 3484 1 7 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.630 0.514 25069 3485 1 7 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.321 0.305 25069 3486 1 7 . 1 1 11 11 VAL H H 11 8.099 8.099 7.623 0.476 25069 3487 1 7 . 1 1 12 12 MET N N 12 123.185 123.185 119.561 3.624 25069 3488 1 7 . 1 1 12 12 MET HA H 12 3.921 3.921 4.623 -0.702 25069 3489 1 7 . 1 1 12 12 MET C C 12 178.871 178.871 178.416 0.455 25069 3490 1 7 . 1 1 12 12 MET CA C 12 60.784 60.784 58.858 1.926 25069 3491 1 7 . 1 1 12 12 MET CB C 12 32.579 32.579 32.556 0.023 25069 3492 1 7 . 1 1 12 12 MET H H 12 8.454 8.454 7.745 0.709 25069 3493 1 7 . 1 1 13 13 VAL N N 13 118.900 118.900 120.576 -1.676 25069 3494 1 7 . 1 1 13 13 VAL HA H 13 3.925 3.925 4.068 -0.143 25069 3495 1 7 . 1 1 13 13 VAL C C 13 177.712 177.712 178.958 -1.246 25069 3496 1 7 . 1 1 13 13 VAL CA C 13 66.680 66.680 65.999 0.681 25069 3497 1 7 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.532 2.715 25069 3498 1 7 . 1 1 13 13 VAL H H 13 8.117 8.117 7.873 0.244 25069 3499 1 7 . 1 1 14 14 SER N N 14 114.675 114.675 115.074 -0.399 25069 3500 1 7 . 1 1 14 14 SER HA H 14 3.966 3.966 4.702 -0.736 25069 3501 1 7 . 1 1 14 14 SER C C 14 178.306 178.306 176.676 1.630 25069 3502 1 7 . 1 1 14 14 SER CA C 14 61.937 61.937 61.285 0.652 25069 3503 1 7 . 1 1 14 14 SER CB C 14 62.474 62.474 62.922 -0.448 25069 3504 1 7 . 1 1 14 14 SER H H 14 8.935 8.935 7.833 1.102 25069 3505 1 7 . 1 1 15 15 THR N N 15 117.582 117.582 117.139 0.443 25069 3506 1 7 . 1 1 15 15 THR HA H 15 4.190 4.190 4.095 0.095 25069 3507 1 7 . 1 1 15 15 THR C C 15 174.459 174.459 176.318 -1.859 25069 3508 1 7 . 1 1 15 15 THR CA C 15 67.683 67.683 65.661 2.022 25069 3509 1 7 . 1 1 15 15 THR CB C 15 68.187 68.187 68.223 -0.036 25069 3510 1 7 . 1 1 15 15 THR H H 15 8.543 8.543 8.257 0.286 25069 3511 1 7 . 1 1 16 16 PHE N N 16 118.606 118.606 123.446 -4.840 25069 3512 1 7 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.789 -0.420 25069 3513 1 7 . 1 1 16 16 PHE C C 16 176.480 176.480 176.828 -0.348 25069 3514 1 7 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.937 0.544 25069 3515 1 7 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.430 0.806 25069 3516 1 7 . 1 1 16 16 PHE H H 16 6.809 6.809 7.603 -0.794 25069 3517 1 7 . 1 1 17 17 HIS N N 17 114.536 114.536 118.392 -3.856 25069 3518 1 7 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.257 0.469 25069 3519 1 7 . 1 1 17 17 HIS C C 17 177.124 177.124 177.955 -0.831 25069 3520 1 7 . 1 1 17 17 HIS CA C 17 57.727 57.727 60.149 -2.422 25069 3521 1 7 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.549 0.599 25069 3522 1 7 . 1 1 17 17 HIS H H 17 6.955 6.955 8.089 -1.134 25069 3523 1 7 . 1 1 18 18 LYS N N 18 120.739 120.739 119.656 1.083 25069 3524 1 7 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.011 -0.293 25069 3525 1 7 . 1 1 18 18 LYS C C 18 177.006 177.006 177.799 -0.793 25069 3526 1 7 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.216 -0.348 25069 3527 1 7 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.306 -0.192 25069 3528 1 7 . 1 1 18 18 LYS H H 18 7.820 7.820 7.827 -0.007 25069 3529 1 7 . 1 1 19 19 TYR N N 19 112.545 112.545 115.660 -3.115 25069 3530 1 7 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.392 -0.253 25069 3531 1 7 . 1 1 19 19 TYR C C 19 176.218 176.218 177.347 -1.129 25069 3532 1 7 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.010 -0.112 25069 3533 1 7 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.723 0.734 25069 3534 1 7 . 1 1 19 19 TYR H H 19 6.730 6.730 7.591 -0.861 25069 3535 1 7 . 1 1 20 20 SER N N 20 113.404 113.404 114.445 -1.041 25069 3536 1 7 . 1 1 20 20 SER HA H 20 3.385 3.385 4.558 -1.173 25069 3537 1 7 . 1 1 20 20 SER C C 20 176.961 176.961 176.240 0.721 25069 3538 1 7 . 1 1 20 20 SER CA C 20 61.866 61.866 59.516 2.350 25069 3539 1 7 . 1 1 20 20 SER CB C 20 60.904 60.904 63.076 -2.172 25069 3540 1 7 . 1 1 20 20 SER H H 20 8.493 8.493 8.252 0.241 25069 3541 1 7 . 1 1 21 21 GLY N N 21 109.001 109.001 108.586 0.415 25069 3542 1 7 . 1 1 21 21 GLY C C 21 173.502 173.502 174.626 -1.124 25069 3543 1 7 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.882 0.657 25069 3544 1 7 . 1 1 21 21 GLY H H 21 7.512 7.512 7.689 -0.177 25069 3545 1 7 . 1 1 22 22 LYS N N 22 120.754 120.754 119.059 1.695 25069 3546 1 7 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.376 -0.581 25069 3547 1 7 . 1 1 22 22 LYS C C 22 177.354 177.354 176.604 0.750 25069 3548 1 7 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.936 3.071 25069 3549 1 7 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.926 -0.943 25069 3550 1 7 . 1 1 22 22 LYS H H 22 6.958 6.958 8.031 -1.073 25069 3551 1 7 . 1 1 23 23 GLU N N 23 115.305 115.305 118.659 -3.354 25069 3552 1 7 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.432 0.026 25069 3553 1 7 . 1 1 23 23 GLU C C 23 176.733 176.733 176.307 0.426 25069 3554 1 7 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.232 -0.797 25069 3555 1 7 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.130 2.224 25069 3556 1 7 . 1 1 23 23 GLU H H 23 9.425 9.425 8.804 0.621 25069 3557 1 7 . 1 1 24 24 GLY N N 24 112.542 112.542 113.576 -1.034 25069 3558 1 7 . 1 1 24 24 GLY C C 24 173.486 173.486 173.994 -0.508 25069 3559 1 7 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.750 -0.408 25069 3560 1 7 . 1 1 24 24 GLY H H 24 8.879 8.879 8.583 0.296 25069 3561 1 7 . 1 1 25 25 ASP N N 25 125.117 125.117 120.276 4.841 25069 3562 1 7 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.982 -0.699 25069 3563 1 7 . 1 1 25 25 ASP C C 25 179.177 179.177 175.388 3.789 25069 3564 1 7 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.926 2.188 25069 3565 1 7 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.794 -1.058 25069 3566 1 7 . 1 1 25 25 ASP H H 25 8.423 8.423 7.957 0.466 25069 3567 1 7 . 1 1 26 26 LYS N N 26 131.175 131.175 118.254 12.921 25069 3568 1 7 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.799 -0.603 25069 3569 1 7 . 1 1 26 26 LYS C C 26 176.638 176.638 176.374 0.264 25069 3570 1 7 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.952 1.016 25069 3571 1 7 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.935 -2.712 25069 3572 1 7 . 1 1 26 26 LYS H H 26 9.247 9.247 8.666 0.581 25069 3573 1 7 . 1 1 27 27 PHE N N 27 118.593 118.593 119.285 -0.692 25069 3574 1 7 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.192 -0.493 25069 3575 1 7 . 1 1 27 27 PHE C C 27 173.452 173.452 174.222 -0.770 25069 3576 1 7 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.764 -1.732 25069 3577 1 7 . 1 1 27 27 PHE CB C 27 39.091 39.091 41.355 -2.264 25069 3578 1 7 . 1 1 27 27 PHE H H 27 9.335 9.335 9.262 0.073 25069 3579 1 7 . 1 1 28 28 LYS N N 28 113.854 113.854 119.749 -5.895 25069 3580 1 7 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.372 -0.368 25069 3581 1 7 . 1 1 28 28 LYS C C 28 174.468 174.468 175.352 -0.884 25069 3582 1 7 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.161 0.126 25069 3583 1 7 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.181 1.837 25069 3584 1 7 . 1 1 28 28 LYS H H 28 6.985 6.985 7.544 -0.559 25069 3585 1 7 . 1 1 29 29 LEU N N 29 124.858 124.858 125.753 -0.895 25069 3586 1 7 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.867 0.146 25069 3587 1 7 . 1 1 29 29 LEU C C 29 175.791 175.791 176.510 -0.719 25069 3588 1 7 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.445 -0.846 25069 3589 1 7 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.903 1.654 25069 3590 1 7 . 1 1 29 29 LEU H H 29 9.454 9.454 9.139 0.315 25069 3591 1 7 . 1 1 30 30 ASN N N 30 122.896 122.896 122.623 0.273 25069 3592 1 7 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.177 -0.599 25069 3593 1 7 . 1 1 30 30 ASN C C 30 174.969 174.969 176.698 -1.729 25069 3594 1 7 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.050 -0.952 25069 3595 1 7 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.653 -2.295 25069 3596 1 7 . 1 1 30 30 ASN H H 30 9.560 9.560 8.151 1.409 25069 3597 1 7 . 1 1 31 31 LYS N N 31 115.136 115.136 119.797 -4.661 25069 3598 1 7 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.849 0.021 25069 3599 1 7 . 1 1 31 31 LYS C C 31 177.992 177.992 178.622 -0.630 25069 3600 1 7 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.734 0.301 25069 3601 1 7 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.911 0.294 25069 3602 1 7 . 1 1 31 31 LYS H H 31 8.204 8.204 8.666 -0.462 25069 3603 1 7 . 1 1 32 32 SER N N 32 113.755 113.755 114.313 -0.558 25069 3604 1 7 . 1 1 32 32 SER HA H 32 3.939 3.939 4.068 -0.129 25069 3605 1 7 . 1 1 32 32 SER C C 32 177.484 177.484 176.241 1.243 25069 3606 1 7 . 1 1 32 32 SER CA C 32 61.374 61.374 61.808 -0.434 25069 3607 1 7 . 1 1 32 32 SER CB C 32 62.733 62.733 62.885 -0.152 25069 3608 1 7 . 1 1 32 32 SER H H 32 7.575 7.575 8.184 -0.609 25069 3609 1 7 . 1 1 33 33 GLU N N 33 122.657 122.657 122.200 0.457 25069 3610 1 7 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.044 -0.131 25069 3611 1 7 . 1 1 33 33 GLU C C 33 178.560 178.560 178.982 -0.422 25069 3612 1 7 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.907 -0.065 25069 3613 1 7 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.758 1.441 25069 3614 1 7 . 1 1 33 33 GLU H H 33 8.608 8.608 7.673 0.935 25069 3615 1 7 . 1 1 34 34 LEU N N 34 117.375 117.375 121.364 -3.989 25069 3616 1 7 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.887 -0.082 25069 3617 1 7 . 1 1 34 34 LEU C C 34 177.693 177.693 178.426 -0.733 25069 3618 1 7 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.360 -0.584 25069 3619 1 7 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.811 -0.114 25069 3620 1 7 . 1 1 34 34 LEU H H 34 8.859 8.859 8.763 0.096 25069 3621 1 7 . 1 1 35 35 LYS N N 35 117.418 117.418 118.771 -1.353 25069 3622 1 7 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.241 0.285 25069 3623 1 7 . 1 1 35 35 LYS C C 35 179.129 179.129 178.618 0.511 25069 3624 1 7 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.089 0.077 25069 3625 1 7 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.674 0.085 25069 3626 1 7 . 1 1 35 35 LYS H H 35 7.901 7.901 8.214 -0.313 25069 3627 1 7 . 1 1 36 36 GLU N N 36 120.491 120.491 119.948 0.543 25069 3628 1 7 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.041 -0.322 25069 3629 1 7 . 1 1 36 36 GLU C C 36 176.354 176.354 179.265 -2.911 25069 3630 1 7 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.163 0.806 25069 3631 1 7 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.762 -0.369 25069 3632 1 7 . 1 1 36 36 GLU H H 36 7.619 7.619 7.589 0.030 25069 3633 1 7 . 1 1 37 37 LEU N N 37 120.058 120.058 121.276 -1.218 25069 3634 1 7 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.140 -0.715 25069 3635 1 7 . 1 1 37 37 LEU C C 37 179.412 179.412 178.691 0.721 25069 3636 1 7 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.725 1.712 25069 3637 1 7 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.841 -0.037 25069 3638 1 7 . 1 1 37 37 LEU H H 37 7.762 7.762 8.408 -0.646 25069 3639 1 7 . 1 1 38 38 LEU N N 38 116.987 116.987 119.513 -2.526 25069 3640 1 7 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.168 -0.503 25069 3641 1 7 . 1 1 38 38 LEU C C 38 178.279 178.279 179.495 -1.216 25069 3642 1 7 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.206 0.471 25069 3643 1 7 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.064 1.250 25069 3644 1 7 . 1 1 38 38 LEU H H 38 8.532 8.532 8.467 0.065 25069 3645 1 7 . 1 1 39 39 THR N N 39 108.650 108.650 111.753 -3.103 25069 3646 1 7 . 1 1 39 39 THR HA H 39 3.693 3.693 4.115 -0.422 25069 3647 1 7 . 1 1 39 39 THR C C 39 176.231 176.231 176.586 -0.355 25069 3648 1 7 . 1 1 39 39 THR CA C 39 65.997 65.997 66.040 -0.042 25069 3649 1 7 . 1 1 39 39 THR CB C 39 69.618 69.618 68.785 0.832 25069 3650 1 7 . 1 1 39 39 THR H H 39 7.883 7.883 8.647 -0.764 25069 3651 1 7 . 1 1 40 40 ARG N N 40 115.482 115.482 119.076 -3.594 25069 3652 1 7 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.325 -0.173 25069 3653 1 7 . 1 1 40 40 ARG C C 40 178.520 178.520 177.524 0.996 25069 3654 1 7 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.007 0.028 25069 3655 1 7 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.917 0.328 25069 3656 1 7 . 1 1 40 40 ARG H H 40 8.015 8.015 7.922 0.093 25069 3657 1 7 . 1 1 41 41 GLU N N 41 112.106 112.106 116.826 -4.720 25069 3658 1 7 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.469 0.365 25069 3659 1 7 . 1 1 41 41 GLU C C 41 177.856 177.856 176.390 1.466 25069 3660 1 7 . 1 1 41 41 GLU CA C 41 55.198 55.198 55.351 -0.153 25069 3661 1 7 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.726 -0.405 25069 3662 1 7 . 1 1 41 41 GLU H H 41 8.463 8.463 8.260 0.203 25069 3663 1 7 . 1 1 42 42 LEU N N 42 119.287 119.287 120.391 -1.104 25069 3664 1 7 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.805 0.247 25069 3665 1 7 . 1 1 42 42 LEU C C 42 174.457 174.457 174.236 0.221 25069 3666 1 7 . 1 1 42 42 LEU CA C 42 52.838 52.838 53.600 -0.762 25069 3667 1 7 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.510 1.573 25069 3668 1 7 . 1 1 42 42 LEU H H 42 7.688 7.688 7.388 0.300 25069 3669 1 7 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.447 -0.243 25069 3670 1 7 . 1 1 43 43 PRO C C 43 179.969 179.969 178.750 1.219 25069 3671 1 7 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.684 0.005 25069 3672 1 7 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.028 -1.201 25069 3673 1 7 . 1 1 44 44 SER N N 44 114.352 114.352 113.338 1.014 25069 3674 1 7 . 1 1 44 44 SER HA H 44 4.093 4.093 4.287 -0.194 25069 3675 1 7 . 1 1 44 44 SER C C 44 175.709 175.709 176.408 -0.699 25069 3676 1 7 . 1 1 44 44 SER CA C 44 60.793 60.793 60.735 0.058 25069 3677 1 7 . 1 1 44 44 SER CB C 44 62.400 62.400 62.700 -0.300 25069 3678 1 7 . 1 1 44 44 SER H H 44 8.674 8.674 8.225 0.449 25069 3679 1 7 . 1 1 45 45 PHE N N 45 121.558 121.558 122.142 -0.584 25069 3680 1 7 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.288 -0.136 25069 3681 1 7 . 1 1 45 45 PHE C C 45 176.441 176.441 177.179 -0.738 25069 3682 1 7 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.950 -0.616 25069 3683 1 7 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.110 0.679 25069 3684 1 7 . 1 1 45 45 PHE H H 45 7.952 7.952 8.254 -0.302 25069 3685 1 7 . 1 1 46 46 LEU N N 46 117.590 117.590 115.124 2.466 25069 3686 1 7 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.276 -0.440 25069 3687 1 7 . 1 1 46 46 LEU C C 46 178.236 178.236 179.159 -0.923 25069 3688 1 7 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.962 1.182 25069 3689 1 7 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.855 0.661 25069 3690 1 7 . 1 1 46 46 LEU H H 46 7.906 7.906 8.163 -0.257 25069 3691 1 7 . 1 1 47 47 GLY N N 47 104.817 104.817 109.412 -4.595 25069 3692 1 7 . 1 1 47 47 GLY C C 47 174.665 174.665 175.546 -0.881 25069 3693 1 7 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.721 -0.736 25069 3694 1 7 . 1 1 47 47 GLY H H 47 7.646 7.646 7.921 -0.275 25069 3695 1 7 . 1 1 48 48 LYS N N 48 120.422 120.422 118.359 2.063 25069 3696 1 7 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.156 -0.004 25069 3697 1 7 . 1 1 48 48 LYS C C 48 177.029 177.029 176.787 0.242 25069 3698 1 7 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.489 -1.009 25069 3699 1 7 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.969 -0.717 25069 3700 1 7 . 1 1 48 48 LYS H H 48 8.400 8.400 7.251 1.149 25069 3701 1 7 . 1 1 49 49 ARG N N 49 119.815 119.815 119.336 0.479 25069 3702 1 7 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.477 -0.174 25069 3703 1 7 . 1 1 49 49 ARG C C 49 175.183 175.183 173.957 1.226 25069 3704 1 7 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.327 0.372 25069 3705 1 7 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.309 -1.802 25069 3706 1 7 . 1 1 49 49 ARG H H 49 7.801 7.801 7.313 0.488 25069 3707 1 7 . 1 1 50 50 THR N N 50 110.525 110.525 114.789 -4.264 25069 3708 1 7 . 1 1 50 50 THR HA H 50 4.091 4.091 4.300 -0.209 25069 3709 1 7 . 1 1 50 50 THR C C 50 174.108 174.108 173.919 0.189 25069 3710 1 7 . 1 1 50 50 THR CA C 50 61.579 61.579 61.427 0.152 25069 3711 1 7 . 1 1 50 50 THR CB C 50 69.136 69.136 68.936 0.200 25069 3712 1 7 . 1 1 50 50 THR H H 50 7.808 7.808 7.906 -0.098 25069 3713 1 7 . 1 1 51 51 ASP N N 51 121.073 121.073 125.395 -4.322 25069 3714 1 7 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.768 -0.208 25069 3715 1 7 . 1 1 51 51 ASP C C 51 175.715 175.715 175.980 -0.265 25069 3716 1 7 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.150 -0.096 25069 3717 1 7 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.492 -1.681 25069 3718 1 7 . 1 1 51 51 ASP H H 51 7.924 7.924 7.763 0.161 25069 3719 1 7 . 1 1 52 52 GLU N N 52 120.418 120.418 123.827 -3.409 25069 3720 1 7 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.266 -0.224 25069 3721 1 7 . 1 1 52 52 GLU C C 52 178.726 178.726 178.130 0.596 25069 3722 1 7 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.255 -0.695 25069 3723 1 7 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.759 -0.375 25069 3724 1 7 . 1 1 52 52 GLU H H 52 8.515 8.515 9.070 -0.555 25069 3725 1 7 . 1 1 53 53 ALA N N 53 120.807 120.807 120.922 -0.115 25069 3726 1 7 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.179 -0.143 25069 3727 1 7 . 1 1 53 53 ALA C C 53 180.416 180.416 179.221 1.195 25069 3728 1 7 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.820 0.321 25069 3729 1 7 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.092 -0.148 25069 3730 1 7 . 1 1 53 53 ALA H H 53 8.242 8.242 8.538 -0.296 25069 3731 1 7 . 1 1 54 54 ALA N N 54 121.069 121.069 122.328 -1.259 25069 3732 1 7 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.017 -0.090 25069 3733 1 7 . 1 1 54 54 ALA C C 54 180.846 180.846 179.598 1.248 25069 3734 1 7 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.751 0.226 25069 3735 1 7 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.085 0.252 25069 3736 1 7 . 1 1 54 54 ALA H H 54 7.874 7.874 7.678 0.196 25069 3737 1 7 . 1 1 55 55 PHE N N 55 118.066 118.066 118.489 -0.423 25069 3738 1 7 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.113 -0.146 25069 3739 1 7 . 1 1 55 55 PHE C C 55 177.160 177.160 177.845 -0.685 25069 3740 1 7 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.131 -0.102 25069 3741 1 7 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.402 0.430 25069 3742 1 7 . 1 1 55 55 PHE H H 55 8.013 8.013 8.375 -0.362 25069 3743 1 7 . 1 1 56 56 GLN N N 56 118.474 118.474 119.502 -1.028 25069 3744 1 7 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.002 -0.262 25069 3745 1 7 . 1 1 56 56 GLN C C 56 178.531 178.531 178.273 0.258 25069 3746 1 7 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.119 -0.287 25069 3747 1 7 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.215 -0.361 25069 3748 1 7 . 1 1 56 56 GLN H H 56 8.265 8.265 8.534 -0.269 25069 3749 1 7 . 1 1 57 57 LYS N N 57 119.207 119.207 119.812 -0.605 25069 3750 1 7 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.069 -0.216 25069 3751 1 7 . 1 1 57 57 LYS C C 57 178.458 178.458 179.093 -0.635 25069 3752 1 7 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.096 -0.019 25069 3753 1 7 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.073 0.061 25069 3754 1 7 . 1 1 57 57 LYS H H 57 7.622 7.622 8.202 -0.580 25069 3755 1 7 . 1 1 58 58 LEU N N 58 119.398 119.398 121.868 -2.470 25069 3756 1 7 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.934 -0.029 25069 3757 1 7 . 1 1 58 58 LEU C C 58 178.444 178.444 178.378 0.066 25069 3758 1 7 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.797 0.324 25069 3759 1 7 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.657 -0.003 25069 3760 1 7 . 1 1 58 58 LEU H H 58 7.504 7.504 8.323 -0.819 25069 3761 1 7 . 1 1 59 59 MET N N 59 116.434 116.434 119.832 -3.398 25069 3762 1 7 . 1 1 59 59 MET HA H 59 3.614 3.614 3.910 -0.296 25069 3763 1 7 . 1 1 59 59 MET C C 59 177.513 177.513 178.068 -0.555 25069 3764 1 7 . 1 1 59 59 MET CA C 59 58.765 58.765 58.668 0.097 25069 3765 1 7 . 1 1 59 59 MET CB C 59 31.060 31.060 31.509 -0.450 25069 3766 1 7 . 1 1 59 59 MET H H 59 8.049 8.049 8.736 -0.687 25069 3767 1 7 . 1 1 60 60 SER N N 60 111.447 111.447 114.141 -2.694 25069 3768 1 7 . 1 1 60 60 SER HA H 60 4.066 4.066 4.129 -0.063 25069 3769 1 7 . 1 1 60 60 SER C C 60 175.986 175.986 176.379 -0.393 25069 3770 1 7 . 1 1 60 60 SER CA C 60 61.416 61.416 61.104 0.312 25069 3771 1 7 . 1 1 60 60 SER CB C 60 62.945 62.945 62.690 0.255 25069 3772 1 7 . 1 1 60 60 SER H H 60 7.839 7.839 7.928 -0.089 25069 3773 1 7 . 1 1 61 61 ASN N N 61 117.559 117.559 118.606 -1.047 25069 3774 1 7 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.613 -0.263 25069 3775 1 7 . 1 1 61 61 ASN C C 61 176.377 176.377 177.581 -1.204 25069 3776 1 7 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.407 -0.404 25069 3777 1 7 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.860 0.013 25069 3778 1 7 . 1 1 61 61 ASN H H 61 7.615 7.615 7.748 -0.133 25069 3779 1 7 . 1 1 62 62 LEU N N 62 117.926 117.926 118.174 -0.248 25069 3780 1 7 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.213 -0.185 25069 3781 1 7 . 1 1 62 62 LEU C C 62 178.394 178.394 177.539 0.855 25069 3782 1 7 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.814 0.183 25069 3783 1 7 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.084 1.319 25069 3784 1 7 . 1 1 62 62 LEU H H 62 7.719 7.719 8.063 -0.344 25069 3785 1 7 . 1 1 63 63 ASP N N 63 115.899 115.899 119.125 -3.226 25069 3786 1 7 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.894 -0.326 25069 3787 1 7 . 1 1 63 63 ASP C C 63 176.866 176.866 176.326 0.540 25069 3788 1 7 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.809 -1.069 25069 3789 1 7 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.065 -0.579 25069 3790 1 7 . 1 1 63 63 ASP H H 63 7.707 7.707 8.348 -0.641 25069 3791 1 7 . 1 1 64 64 SER N N 64 121.158 121.158 123.326 -2.168 25069 3792 1 7 . 1 1 64 64 SER HA H 64 4.080 4.080 4.394 -0.314 25069 3793 1 7 . 1 1 64 64 SER C C 64 175.780 175.780 175.258 0.522 25069 3794 1 7 . 1 1 64 64 SER CA C 64 60.698 60.698 60.387 0.311 25069 3795 1 7 . 1 1 64 64 SER CB C 64 63.034 63.034 63.413 -0.379 25069 3796 1 7 . 1 1 64 64 SER H H 64 8.034 8.034 8.921 -0.887 25069 3797 1 7 . 1 1 65 65 ASN N N 65 115.443 115.443 118.974 -3.531 25069 3798 1 7 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.680 -0.016 25069 3799 1 7 . 1 1 65 65 ASN C C 65 174.775 174.775 175.122 -0.347 25069 3800 1 7 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.342 -1.343 25069 3801 1 7 . 1 1 65 65 ASN CB C 65 37.171 37.171 39.146 -1.975 25069 3802 1 7 . 1 1 65 65 ASN H H 65 8.055 8.055 8.128 -0.073 25069 3803 1 7 . 1 1 66 66 ARG N N 66 114.242 114.242 117.233 -2.991 25069 3804 1 7 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.150 -0.223 25069 3805 1 7 . 1 1 66 66 ARG C C 66 175.354 175.354 175.122 0.232 25069 3806 1 7 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.035 0.124 25069 3807 1 7 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.254 -0.401 25069 3808 1 7 . 1 1 66 66 ARG H H 66 7.560 7.560 8.359 -0.799 25069 3809 1 7 . 1 1 67 67 ASP N N 67 118.260 118.260 119.811 -1.551 25069 3810 1 7 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.741 -0.139 25069 3811 1 7 . 1 1 67 67 ASP C C 67 177.143 177.143 176.137 1.006 25069 3812 1 7 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.111 -0.092 25069 3813 1 7 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.720 -1.016 25069 3814 1 7 . 1 1 67 67 ASP H H 67 8.406 8.406 8.730 -0.324 25069 3815 1 7 . 1 1 68 68 ASN N N 68 115.091 115.091 115.054 0.037 25069 3816 1 7 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.356 -0.377 25069 3817 1 7 . 1 1 68 68 ASN C C 68 173.046 173.046 173.394 -0.348 25069 3818 1 7 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.828 0.509 25069 3819 1 7 . 1 1 68 68 ASN CB C 68 37.890 37.890 38.121 -0.231 25069 3820 1 7 . 1 1 68 68 ASN H H 68 10.021 10.021 8.915 1.106 25069 3821 1 7 . 1 1 69 69 GLU N N 69 115.671 115.671 116.969 -1.298 25069 3822 1 7 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.047 -0.349 25069 3823 1 7 . 1 1 69 69 GLU C C 69 175.335 175.335 175.114 0.221 25069 3824 1 7 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.918 -0.047 25069 3825 1 7 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.285 2.348 25069 3826 1 7 . 1 1 69 69 GLU H H 69 7.724 7.724 7.834 -0.110 25069 3827 1 7 . 1 1 70 70 VAL N N 70 124.606 124.606 126.281 -1.675 25069 3828 1 7 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.332 0.803 25069 3829 1 7 . 1 1 70 70 VAL C C 70 175.876 175.876 176.086 -0.210 25069 3830 1 7 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.957 -1.815 25069 3831 1 7 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.371 1.186 25069 3832 1 7 . 1 1 70 70 VAL H H 70 9.814 9.814 8.849 0.965 25069 3833 1 7 . 1 1 71 71 ASP N N 71 127.612 127.612 128.057 -0.445 25069 3834 1 7 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.427 -0.402 25069 3835 1 7 . 1 1 71 71 ASP C C 71 175.018 175.018 177.532 -2.514 25069 3836 1 7 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.040 -0.479 25069 3837 1 7 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.245 -1.266 25069 3838 1 7 . 1 1 71 71 ASP H H 71 8.896 8.896 9.563 -0.667 25069 3839 1 7 . 1 1 72 72 PHE N N 72 117.738 117.738 118.488 -0.750 25069 3840 1 7 . 1 1 72 72 PHE C C 72 177.390 177.390 177.773 -0.383 25069 3841 1 7 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.797 0.229 25069 3842 1 7 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.886 0.342 25069 3843 1 7 . 1 1 72 72 PHE H H 72 8.993 8.993 8.365 0.628 25069 3844 1 7 . 1 1 73 73 GLN N N 73 120.479 120.479 118.272 2.207 25069 3845 1 7 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.929 -0.125 25069 3846 1 7 . 1 1 73 73 GLN C C 73 178.583 178.583 178.208 0.375 25069 3847 1 7 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.349 0.711 25069 3848 1 7 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.597 -0.769 25069 3849 1 7 . 1 1 73 73 GLN H H 73 8.246 8.246 9.332 -1.086 25069 3850 1 7 . 1 1 74 74 GLU N N 74 120.179 120.179 119.129 1.050 25069 3851 1 7 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.023 -0.179 25069 3852 1 7 . 1 1 74 74 GLU C C 74 180.584 180.584 179.207 1.377 25069 3853 1 7 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.212 -0.199 25069 3854 1 7 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.621 0.785 25069 3855 1 7 . 1 1 74 74 GLU H H 74 8.782 8.782 9.140 -0.358 25069 3856 1 7 . 1 1 75 75 TYR N N 75 122.109 122.109 120.261 1.848 25069 3857 1 7 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.358 -0.346 25069 3858 1 7 . 1 1 75 75 TYR C C 75 175.383 175.383 177.312 -1.929 25069 3859 1 7 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.050 0.173 25069 3860 1 7 . 1 1 75 75 TYR CB C 75 38.790 38.790 37.915 0.875 25069 3861 1 7 . 1 1 75 75 TYR H H 75 8.619 8.619 8.539 0.080 25069 3862 1 7 . 1 1 76 76 SER N N 76 117.790 117.790 114.772 3.018 25069 3863 1 7 . 1 1 76 76 SER HA H 76 3.326 3.326 3.366 -0.040 25069 3864 1 7 . 1 1 76 76 SER C C 76 176.930 176.930 176.464 0.466 25069 3865 1 7 . 1 1 76 76 SER CA C 76 62.377 62.377 60.967 1.410 25069 3866 1 7 . 1 1 76 76 SER CB C 76 62.573 62.573 62.377 0.196 25069 3867 1 7 . 1 1 76 76 SER H H 76 8.654 8.654 7.439 1.215 25069 3868 1 7 . 1 1 77 77 VAL N N 77 123.033 123.033 121.818 1.215 25069 3869 1 7 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.830 -0.251 25069 3870 1 7 . 1 1 77 77 VAL C C 77 178.969 178.969 178.053 0.916 25069 3871 1 7 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.858 0.239 25069 3872 1 7 . 1 1 77 77 VAL CB C 77 31.977 31.977 30.730 1.247 25069 3873 1 7 . 1 1 77 77 VAL H H 77 7.844 7.844 8.183 -0.339 25069 3874 1 7 . 1 1 78 78 PHE N N 78 121.473 121.473 122.276 -0.803 25069 3875 1 7 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.182 0.166 25069 3876 1 7 . 1 1 78 78 PHE C C 78 177.726 177.726 177.208 0.518 25069 3877 1 7 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.826 -1.497 25069 3878 1 7 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.648 -0.104 25069 3879 1 7 . 1 1 78 78 PHE H H 78 7.439 7.439 7.740 -0.301 25069 3880 1 7 . 1 1 79 79 LEU N N 79 118.574 118.574 117.814 0.760 25069 3881 1 7 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.304 -0.074 25069 3882 1 7 . 1 1 79 79 LEU C C 79 178.837 178.837 178.826 0.011 25069 3883 1 7 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.878 -0.148 25069 3884 1 7 . 1 1 79 79 LEU CB C 79 40.452 40.452 41.011 -0.559 25069 3885 1 7 . 1 1 79 79 LEU H H 79 8.298 8.298 8.357 -0.059 25069 3886 1 7 . 1 1 80 80 SER N N 80 112.827 112.827 115.494 -2.667 25069 3887 1 7 . 1 1 80 80 SER HA H 80 3.978 3.978 4.020 -0.042 25069 3888 1 7 . 1 1 80 80 SER C C 80 175.796 175.796 176.515 -0.719 25069 3889 1 7 . 1 1 80 80 SER CA C 80 62.278 62.278 61.608 0.670 25069 3890 1 7 . 1 1 80 80 SER CB C 80 63.148 63.148 62.679 0.469 25069 3891 1 7 . 1 1 80 80 SER H H 80 7.728 7.728 8.336 -0.608 25069 3892 1 7 . 1 1 81 81 SER N N 81 117.584 117.584 120.030 -2.446 25069 3893 1 7 . 1 1 81 81 SER HA H 81 4.151 4.151 4.177 -0.026 25069 3894 1 7 . 1 1 81 81 SER C C 81 176.761 176.761 176.597 0.164 25069 3895 1 7 . 1 1 81 81 SER CA C 81 61.673 61.673 62.249 -0.576 25069 3896 1 7 . 1 1 81 81 SER CB C 81 62.441 62.441 62.800 -0.359 25069 3897 1 7 . 1 1 81 81 SER H H 81 7.703 7.703 7.770 -0.067 25069 3898 1 7 . 1 1 82 82 ILE N N 82 122.194 122.194 121.438 0.756 25069 3899 1 7 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.658 -0.010 25069 3900 1 7 . 1 1 82 82 ILE C C 82 178.743 178.743 177.409 1.334 25069 3901 1 7 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.640 -1.491 25069 3902 1 7 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.330 -0.605 25069 3903 1 7 . 1 1 82 82 ILE H H 82 7.490 7.490 7.965 -0.475 25069 3904 1 7 . 1 1 83 83 ALA N N 83 123.288 123.288 121.622 1.666 25069 3905 1 7 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.966 -0.152 25069 3906 1 7 . 1 1 83 83 ALA C C 83 179.019 179.019 179.824 -0.805 25069 3907 1 7 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.973 0.554 25069 3908 1 7 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.168 -0.519 25069 3909 1 7 . 1 1 83 83 ALA H H 83 8.190 8.190 7.485 0.705 25069 3910 1 7 . 1 1 84 84 MET N N 84 114.549 114.549 118.830 -4.281 25069 3911 1 7 . 1 1 84 84 MET HA H 84 4.660 4.660 3.980 0.680 25069 3912 1 7 . 1 1 84 84 MET C C 84 174.776 174.776 178.564 -3.788 25069 3913 1 7 . 1 1 84 84 MET CA C 84 58.603 58.603 59.480 -0.877 25069 3914 1 7 . 1 1 84 84 MET CB C 84 37.147 37.147 32.601 4.546 25069 3915 1 7 . 1 1 84 84 MET H H 84 8.060 8.060 8.367 -0.307 25069 3916 1 7 . 1 1 85 85 MET N N 85 114.638 114.638 118.261 -3.623 25069 3917 1 7 . 1 1 85 85 MET HA H 85 4.079 4.079 4.158 -0.079 25069 3918 1 7 . 1 1 85 85 MET C C 85 178.153 178.153 179.289 -1.136 25069 3919 1 7 . 1 1 85 85 MET CA C 85 58.444 58.444 57.312 1.133 25069 3920 1 7 . 1 1 85 85 MET CB C 85 32.523 32.523 30.796 1.727 25069 3921 1 7 . 1 1 85 85 MET H H 85 8.097 8.097 8.552 -0.455 25069 3922 1 7 . 1 1 86 86 SER N N 86 114.719 114.719 115.114 -0.395 25069 3923 1 7 . 1 1 86 86 SER HA H 86 4.184 4.184 4.210 -0.026 25069 3924 1 7 . 1 1 86 86 SER C C 86 176.656 176.656 177.050 -0.394 25069 3925 1 7 . 1 1 86 86 SER CA C 86 60.867 60.867 62.222 -1.355 25069 3926 1 7 . 1 1 86 86 SER CB C 86 63.250 63.250 63.076 0.174 25069 3927 1 7 . 1 1 86 86 SER H H 86 8.119 8.119 8.819 -0.700 25069 3928 1 7 . 1 1 87 87 ASN N N 87 119.754 119.754 119.418 0.336 25069 3929 1 7 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.749 -0.171 25069 3930 1 7 . 1 1 87 87 ASN C C 87 176.062 176.062 177.709 -1.647 25069 3931 1 7 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.743 0.433 25069 3932 1 7 . 1 1 87 87 ASN CB C 87 38.748 38.748 39.047 -0.298 25069 3933 1 7 . 1 1 87 87 ASN H H 87 8.328 8.328 7.789 0.539 25069 3934 1 7 . 1 1 88 88 GLU N N 88 117.928 117.928 120.934 -3.006 25069 3935 1 7 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.410 -0.671 25069 3936 1 7 . 1 1 88 88 GLU C C 88 177.870 177.870 178.986 -1.116 25069 3937 1 7 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.011 -0.079 25069 3938 1 7 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.588 -0.307 25069 3939 1 7 . 1 1 88 88 GLU H H 88 7.747 7.747 8.671 -0.924 25069 3940 1 7 . 1 1 89 89 PHE N N 89 116.133 116.133 120.186 -4.053 25069 3941 1 7 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.356 -0.187 25069 3942 1 7 . 1 1 89 89 PHE C C 89 176.404 176.404 176.328 0.076 25069 3943 1 7 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.355 -0.299 25069 3944 1 7 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.413 -0.571 25069 3945 1 7 . 1 1 89 89 PHE H H 89 7.465 7.465 8.273 -0.808 25069 3946 1 7 . 1 1 90 90 PHE N N 90 119.130 119.130 120.193 -1.063 25069 3947 1 7 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.077 -0.022 25069 3948 1 7 . 1 1 90 90 PHE C C 90 176.420 176.420 176.410 0.010 25069 3949 1 7 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.366 -0.596 25069 3950 1 7 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.239 0.074 25069 3951 1 7 . 1 1 90 90 PHE H H 90 7.537 7.537 7.722 -0.185 25069 3952 1 7 . 1 1 91 91 GLU N N 91 118.971 118.971 117.846 1.125 25069 3953 1 7 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.098 -0.358 25069 3954 1 7 . 1 1 91 91 GLU C C 91 176.491 176.491 177.269 -0.778 25069 3955 1 7 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.519 -0.288 25069 3956 1 7 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.141 -0.093 25069 3957 1 7 . 1 1 91 91 GLU H H 91 7.938 7.938 8.105 -0.167 25069 3958 1 7 . 1 1 92 92 GLY N N 92 105.912 105.912 104.877 1.035 25069 3959 1 7 . 1 1 92 92 GLY C C 92 173.288 173.288 173.944 -0.656 25069 3960 1 7 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.718 0.346 25069 3961 1 7 . 1 1 92 92 GLY H H 92 7.201 7.201 7.473 -0.272 25069 3962 1 7 . 1 1 93 93 PHE N N 93 118.877 118.877 120.026 -1.149 25069 3963 1 7 . 1 1 93 93 PHE C C 93 174.128 174.128 173.120 1.008 25069 3964 1 7 . 1 1 93 93 PHE CA C 93 56.209 56.209 56.067 0.142 25069 3965 1 7 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.489 -2.719 25069 3966 1 7 . 1 1 93 93 PHE H H 93 7.844 7.844 7.553 0.291 25069 3967 1 7 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.822 -0.616 25069 3968 1 7 . 1 1 94 94 PRO C C 94 176.669 176.669 175.796 0.873 25069 3969 1 7 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.087 0.614 25069 3970 1 7 . 1 1 94 94 PRO CB C 94 31.836 31.836 31.132 0.704 25069 3971 1 7 . 1 1 95 95 ASP N N 95 118.031 118.031 124.246 -6.215 25069 3972 1 7 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.858 -0.451 25069 3973 1 7 . 1 1 95 95 ASP C C 95 176.139 176.139 176.586 -0.447 25069 3974 1 7 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.131 0.350 25069 3975 1 7 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.844 -1.823 25069 3976 1 7 . 1 1 95 95 ASP H H 95 8.144 8.144 9.587 -1.443 25069 3977 1 7 . 1 1 96 96 LYS N N 96 119.472 119.472 117.695 1.777 25069 3978 1 7 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.322 -0.185 25069 3979 1 7 . 1 1 96 96 LYS C C 96 176.212 176.212 176.801 -0.589 25069 3980 1 7 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.980 -0.800 25069 3981 1 7 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.594 0.189 25069 3982 1 7 . 1 1 96 96 LYS H H 96 7.980 7.980 7.837 0.143 25069 3983 1 7 . 1 1 97 97 GLN N N 97 120.185 120.185 119.741 0.444 25069 3984 1 7 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.580 -0.159 25069 3985 1 7 . 1 1 97 97 GLN C C 97 173.700 173.700 174.948 -1.248 25069 3986 1 7 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.194 0.609 25069 3987 1 7 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.849 0.883 25069 3988 1 7 . 1 1 97 97 GLN H H 97 8.007 8.007 7.709 0.298 25069 3989 1 7 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.390 -0.147 25069 3990 1 7 . 1 1 98 98 PRO C C 98 176.605 176.605 177.850 -1.245 25069 3991 1 7 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.647 -0.633 25069 3992 1 7 . 1 1 98 98 PRO CB C 98 31.937 31.937 32.173 -0.236 25069 3993 1 7 . 1 1 99 99 ARG N N 99 120.677 120.677 114.492 6.185 25069 3994 1 7 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.801 0.344 25069 3995 1 7 . 1 1 99 99 ARG C C 99 176.053 176.053 177.247 -1.194 25069 3996 1 7 . 1 1 99 99 ARG CA C 99 55.972 55.972 59.304 -3.332 25069 3997 1 7 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.186 2.708 25069 3998 1 7 . 1 1 99 99 ARG H H 99 8.254 8.254 8.309 -0.055 25069 3999 1 7 . 1 1 100 100 LYS N N 100 122.775 122.775 121.108 1.667 25069 4000 1 7 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.113 0.031 25069 4001 1 7 . 1 1 100 100 LYS C C 100 175.376 175.376 176.125 -0.749 25069 4002 1 7 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.970 -1.574 25069 4003 1 7 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.846 0.443 25069 4004 1 7 . 1 1 100 100 LYS H H 100 8.230 8.230 8.182 0.048 25069 4005 1 8 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.606 -0.397 25069 4006 1 8 . 1 1 2 2 ALA C C 2 173.983 173.983 177.728 -3.745 25069 4007 1 8 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.364 0.239 25069 4008 1 8 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.771 1.105 25069 4009 1 8 . 1 1 3 3 SER N N 3 121.630 121.630 116.796 4.834 25069 4010 1 8 . 1 1 3 3 SER C C 3 172.689 172.689 173.992 -1.303 25069 4011 1 8 . 1 1 3 3 SER CA C 3 56.943 56.943 60.081 -3.138 25069 4012 1 8 . 1 1 3 3 SER CB C 3 63.102 63.102 61.249 1.853 25069 4013 1 8 . 1 1 3 3 SER H H 3 9.907 9.907 8.032 1.875 25069 4014 1 8 . 1 1 4 4 PRO C C 4 179.695 179.695 178.111 1.584 25069 4015 1 8 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.656 0.078 25069 4016 1 8 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.449 0.331 25069 4017 1 8 . 1 1 5 5 LEU N N 5 118.522 118.522 118.488 0.034 25069 4018 1 8 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.982 0.049 25069 4019 1 8 . 1 1 5 5 LEU C C 5 177.968 177.968 178.439 -0.471 25069 4020 1 8 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.220 -0.572 25069 4021 1 8 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.814 0.821 25069 4022 1 8 . 1 1 5 5 LEU H H 5 8.277 8.277 7.634 0.643 25069 4023 1 8 . 1 1 6 6 GLU N N 6 118.997 118.997 118.197 0.800 25069 4024 1 8 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.038 -0.342 25069 4025 1 8 . 1 1 6 6 GLU C C 6 180.177 180.177 179.378 0.799 25069 4026 1 8 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.234 1.105 25069 4027 1 8 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.016 0.818 25069 4028 1 8 . 1 1 6 6 GLU H H 6 8.130 8.130 8.120 0.010 25069 4029 1 8 . 1 1 7 7 LYS N N 7 117.838 117.838 118.006 -0.168 25069 4030 1 8 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.156 -0.160 25069 4031 1 8 . 1 1 7 7 LYS C C 7 178.764 178.764 178.750 0.014 25069 4032 1 8 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.236 1.120 25069 4033 1 8 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.682 0.477 25069 4034 1 8 . 1 1 7 7 LYS H H 7 8.341 8.341 7.617 0.724 25069 4035 1 8 . 1 1 8 8 ALA N N 8 122.327 122.327 121.845 0.482 25069 4036 1 8 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.263 -0.284 25069 4037 1 8 . 1 1 8 8 ALA C C 8 179.482 179.482 179.320 0.162 25069 4038 1 8 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.352 0.816 25069 4039 1 8 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.099 0.195 25069 4040 1 8 . 1 1 8 8 ALA H H 8 8.082 8.082 7.755 0.327 25069 4041 1 8 . 1 1 9 9 LEU N N 9 118.212 118.212 118.917 -0.705 25069 4042 1 8 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.888 0.059 25069 4043 1 8 . 1 1 9 9 LEU C C 9 178.844 178.844 178.726 0.118 25069 4044 1 8 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.572 0.637 25069 4045 1 8 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.125 0.491 25069 4046 1 8 . 1 1 9 9 LEU H H 9 8.042 8.042 7.838 0.204 25069 4047 1 8 . 1 1 10 10 ASP N N 10 117.997 117.997 119.070 -1.073 25069 4048 1 8 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.404 -0.017 25069 4049 1 8 . 1 1 10 10 ASP C C 10 179.582 179.582 178.364 1.218 25069 4050 1 8 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.190 0.580 25069 4051 1 8 . 1 1 10 10 ASP CB C 10 40.994 40.994 40.940 0.054 25069 4052 1 8 . 1 1 10 10 ASP H H 10 7.587 7.587 7.633 -0.047 25069 4053 1 8 . 1 1 11 11 VAL N N 11 120.702 120.702 119.936 0.766 25069 4054 1 8 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.694 0.043 25069 4055 1 8 . 1 1 11 11 VAL C C 11 180.061 180.061 177.839 2.222 25069 4056 1 8 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.613 0.531 25069 4057 1 8 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.661 -0.035 25069 4058 1 8 . 1 1 11 11 VAL H H 11 8.099 8.099 7.511 0.588 25069 4059 1 8 . 1 1 12 12 MET N N 12 123.185 123.185 120.667 2.518 25069 4060 1 8 . 1 1 12 12 MET HA H 12 3.921 3.921 4.349 -0.428 25069 4061 1 8 . 1 1 12 12 MET C C 12 178.871 178.871 178.227 0.644 25069 4062 1 8 . 1 1 12 12 MET CA C 12 60.784 60.784 58.008 2.776 25069 4063 1 8 . 1 1 12 12 MET CB C 12 32.579 32.579 31.886 0.693 25069 4064 1 8 . 1 1 12 12 MET H H 12 8.454 8.454 7.967 0.487 25069 4065 1 8 . 1 1 13 13 VAL N N 13 118.900 118.900 119.364 -0.464 25069 4066 1 8 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.013 0.912 25069 4067 1 8 . 1 1 13 13 VAL C C 13 177.712 177.712 177.781 -0.069 25069 4068 1 8 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.286 0.394 25069 4069 1 8 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.840 2.407 25069 4070 1 8 . 1 1 13 13 VAL H H 13 8.117 8.117 7.723 0.394 25069 4071 1 8 . 1 1 14 14 SER N N 14 114.675 114.675 114.581 0.094 25069 4072 1 8 . 1 1 14 14 SER HA H 14 3.966 3.966 4.199 -0.233 25069 4073 1 8 . 1 1 14 14 SER C C 14 178.306 178.306 176.625 1.681 25069 4074 1 8 . 1 1 14 14 SER CA C 14 61.937 61.937 60.960 0.977 25069 4075 1 8 . 1 1 14 14 SER CB C 14 62.474 62.474 63.152 -0.678 25069 4076 1 8 . 1 1 14 14 SER H H 14 8.935 8.935 7.560 1.375 25069 4077 1 8 . 1 1 15 15 THR N N 15 117.582 117.582 120.544 -2.962 25069 4078 1 8 . 1 1 15 15 THR HA H 15 4.190 4.190 3.965 0.225 25069 4079 1 8 . 1 1 15 15 THR C C 15 174.459 174.459 175.868 -1.409 25069 4080 1 8 . 1 1 15 15 THR CA C 15 67.683 67.683 67.174 0.509 25069 4081 1 8 . 1 1 15 15 THR CB C 15 68.187 68.187 69.002 -0.815 25069 4082 1 8 . 1 1 15 15 THR H H 15 8.543 8.543 7.944 0.599 25069 4083 1 8 . 1 1 16 16 PHE N N 16 118.606 118.606 122.518 -3.912 25069 4084 1 8 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.929 -0.560 25069 4085 1 8 . 1 1 16 16 PHE C C 16 176.480 176.480 176.837 -0.357 25069 4086 1 8 . 1 1 16 16 PHE CA C 16 62.481 62.481 62.095 0.386 25069 4087 1 8 . 1 1 16 16 PHE CB C 16 39.236 39.236 39.077 0.159 25069 4088 1 8 . 1 1 16 16 PHE H H 16 6.809 6.809 8.120 -1.311 25069 4089 1 8 . 1 1 17 17 HIS N N 17 114.536 114.536 117.729 -3.193 25069 4090 1 8 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.023 0.703 25069 4091 1 8 . 1 1 17 17 HIS C C 17 177.124 177.124 177.614 -0.490 25069 4092 1 8 . 1 1 17 17 HIS CA C 17 57.727 57.727 58.279 -0.552 25069 4093 1 8 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.477 0.671 25069 4094 1 8 . 1 1 17 17 HIS H H 17 6.955 6.955 7.566 -0.611 25069 4095 1 8 . 1 1 18 18 LYS N N 18 120.739 120.739 119.785 0.954 25069 4096 1 8 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.882 -0.164 25069 4097 1 8 . 1 1 18 18 LYS C C 18 177.006 177.006 177.769 -0.763 25069 4098 1 8 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.668 0.200 25069 4099 1 8 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.281 -0.167 25069 4100 1 8 . 1 1 18 18 LYS H H 18 7.820 7.820 7.480 0.340 25069 4101 1 8 . 1 1 19 19 TYR N N 19 112.545 112.545 116.663 -4.118 25069 4102 1 8 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.263 -0.124 25069 4103 1 8 . 1 1 19 19 TYR C C 19 176.218 176.218 177.811 -1.593 25069 4104 1 8 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.769 -0.871 25069 4105 1 8 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.943 1.514 25069 4106 1 8 . 1 1 19 19 TYR H H 19 6.730 6.730 7.534 -0.804 25069 4107 1 8 . 1 1 20 20 SER N N 20 113.404 113.404 114.602 -1.198 25069 4108 1 8 . 1 1 20 20 SER HA H 20 3.385 3.385 4.523 -1.138 25069 4109 1 8 . 1 1 20 20 SER C C 20 176.961 176.961 176.484 0.477 25069 4110 1 8 . 1 1 20 20 SER CA C 20 61.866 61.866 60.521 1.345 25069 4111 1 8 . 1 1 20 20 SER CB C 20 60.904 60.904 62.634 -1.730 25069 4112 1 8 . 1 1 20 20 SER H H 20 8.493 8.493 8.401 0.092 25069 4113 1 8 . 1 1 21 21 GLY N N 21 109.001 109.001 108.916 0.085 25069 4114 1 8 . 1 1 21 21 GLY C C 21 173.502 173.502 174.344 -0.842 25069 4115 1 8 . 1 1 21 21 GLY CA C 21 45.539 45.539 45.164 0.374 25069 4116 1 8 . 1 1 21 21 GLY H H 21 7.512 7.512 7.679 -0.167 25069 4117 1 8 . 1 1 22 22 LYS N N 22 120.754 120.754 119.565 1.189 25069 4118 1 8 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.364 -0.569 25069 4119 1 8 . 1 1 22 22 LYS C C 22 177.354 177.354 176.824 0.530 25069 4120 1 8 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.388 2.619 25069 4121 1 8 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.972 -0.989 25069 4122 1 8 . 1 1 22 22 LYS H H 22 6.958 6.958 7.711 -0.753 25069 4123 1 8 . 1 1 23 23 GLU N N 23 115.305 115.305 117.204 -1.899 25069 4124 1 8 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.518 -0.060 25069 4125 1 8 . 1 1 23 23 GLU C C 23 176.733 176.733 175.638 1.095 25069 4126 1 8 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.087 -0.652 25069 4127 1 8 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.738 1.616 25069 4128 1 8 . 1 1 23 23 GLU H H 23 9.425 9.425 8.963 0.462 25069 4129 1 8 . 1 1 24 24 GLY N N 24 112.542 112.542 110.836 1.706 25069 4130 1 8 . 1 1 24 24 GLY C C 24 173.486 173.486 173.826 -0.340 25069 4131 1 8 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.590 -0.248 25069 4132 1 8 . 1 1 24 24 GLY H H 24 8.879 8.879 8.475 0.404 25069 4133 1 8 . 1 1 25 25 ASP N N 25 125.117 125.117 122.591 2.526 25069 4134 1 8 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.758 -0.475 25069 4135 1 8 . 1 1 25 25 ASP C C 25 179.177 179.177 176.922 2.255 25069 4136 1 8 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.495 1.619 25069 4137 1 8 . 1 1 25 25 ASP CB C 25 41.736 41.736 41.933 -0.197 25069 4138 1 8 . 1 1 25 25 ASP H H 25 8.423 8.423 8.176 0.247 25069 4139 1 8 . 1 1 26 26 LYS N N 26 131.175 131.175 115.318 15.857 25069 4140 1 8 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.035 0.161 25069 4141 1 8 . 1 1 26 26 LYS C C 26 176.638 176.638 174.636 2.002 25069 4142 1 8 . 1 1 26 26 LYS CA C 26 57.968 57.968 58.152 -0.184 25069 4143 1 8 . 1 1 26 26 LYS CB C 26 31.223 31.223 30.576 0.647 25069 4144 1 8 . 1 1 26 26 LYS H H 26 9.247 9.247 7.876 1.371 25069 4145 1 8 . 1 1 27 27 PHE N N 27 118.593 118.593 114.624 3.969 25069 4146 1 8 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.007 -0.308 25069 4147 1 8 . 1 1 27 27 PHE C C 27 173.452 173.452 174.680 -1.228 25069 4148 1 8 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.409 -1.377 25069 4149 1 8 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.730 -1.639 25069 4150 1 8 . 1 1 27 27 PHE H H 27 9.335 9.335 7.609 1.726 25069 4151 1 8 . 1 1 28 28 LYS N N 28 113.854 113.854 119.350 -5.496 25069 4152 1 8 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.288 -0.284 25069 4153 1 8 . 1 1 28 28 LYS C C 28 174.468 174.468 175.193 -0.725 25069 4154 1 8 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.219 0.068 25069 4155 1 8 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.531 1.487 25069 4156 1 8 . 1 1 28 28 LYS H H 28 6.985 6.985 7.734 -0.749 25069 4157 1 8 . 1 1 29 29 LEU N N 29 124.858 124.858 124.914 -0.056 25069 4158 1 8 . 1 1 29 29 LEU HA H 29 5.013 5.013 5.092 -0.079 25069 4159 1 8 . 1 1 29 29 LEU C C 29 175.791 175.791 176.789 -0.998 25069 4160 1 8 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.344 -0.745 25069 4161 1 8 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.228 1.329 25069 4162 1 8 . 1 1 29 29 LEU H H 29 9.454 9.454 9.144 0.310 25069 4163 1 8 . 1 1 30 30 ASN N N 30 122.896 122.896 122.620 0.276 25069 4164 1 8 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.089 -0.511 25069 4165 1 8 . 1 1 30 30 ASN C C 30 174.969 174.969 176.420 -1.451 25069 4166 1 8 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.079 -0.981 25069 4167 1 8 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.564 -2.206 25069 4168 1 8 . 1 1 30 30 ASN H H 30 9.560 9.560 8.286 1.274 25069 4169 1 8 . 1 1 31 31 LYS N N 31 115.136 115.136 119.976 -4.840 25069 4170 1 8 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.846 0.024 25069 4171 1 8 . 1 1 31 31 LYS C C 31 177.992 177.992 178.459 -0.467 25069 4172 1 8 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.697 0.338 25069 4173 1 8 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.144 0.061 25069 4174 1 8 . 1 1 31 31 LYS H H 31 8.204 8.204 8.842 -0.638 25069 4175 1 8 . 1 1 32 32 SER N N 32 113.755 113.755 114.277 -0.522 25069 4176 1 8 . 1 1 32 32 SER HA H 32 3.939 3.939 4.054 -0.115 25069 4177 1 8 . 1 1 32 32 SER C C 32 177.484 177.484 176.366 1.118 25069 4178 1 8 . 1 1 32 32 SER CA C 32 61.374 61.374 61.673 -0.299 25069 4179 1 8 . 1 1 32 32 SER CB C 32 62.733 62.733 62.746 -0.013 25069 4180 1 8 . 1 1 32 32 SER H H 32 7.575 7.575 8.265 -0.690 25069 4181 1 8 . 1 1 33 33 GLU N N 33 122.657 122.657 121.582 1.075 25069 4182 1 8 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.060 -0.147 25069 4183 1 8 . 1 1 33 33 GLU C C 33 178.560 178.560 179.084 -0.524 25069 4184 1 8 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.814 0.028 25069 4185 1 8 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.696 1.503 25069 4186 1 8 . 1 1 33 33 GLU H H 33 8.608 8.608 7.714 0.894 25069 4187 1 8 . 1 1 34 34 LEU N N 34 117.375 117.375 121.736 -4.361 25069 4188 1 8 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.840 -0.035 25069 4189 1 8 . 1 1 34 34 LEU C C 34 177.693 177.693 178.251 -0.558 25069 4190 1 8 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.563 -0.787 25069 4191 1 8 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.830 -0.133 25069 4192 1 8 . 1 1 34 34 LEU H H 34 8.859 8.859 8.697 0.163 25069 4193 1 8 . 1 1 35 35 LYS N N 35 117.418 117.418 118.616 -1.198 25069 4194 1 8 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.173 0.353 25069 4195 1 8 . 1 1 35 35 LYS C C 35 179.129 179.129 179.011 0.118 25069 4196 1 8 . 1 1 35 35 LYS CA C 35 60.166 60.166 59.842 0.324 25069 4197 1 8 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.613 0.146 25069 4198 1 8 . 1 1 35 35 LYS H H 35 7.901 7.901 8.054 -0.153 25069 4199 1 8 . 1 1 36 36 GLU N N 36 120.491 120.491 120.255 0.236 25069 4200 1 8 . 1 1 36 36 GLU HA H 36 3.719 3.719 3.927 -0.208 25069 4201 1 8 . 1 1 36 36 GLU C C 36 176.354 176.354 178.861 -2.507 25069 4202 1 8 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.068 0.901 25069 4203 1 8 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.597 -0.204 25069 4204 1 8 . 1 1 36 36 GLU H H 36 7.619 7.619 7.528 0.091 25069 4205 1 8 . 1 1 37 37 LEU N N 37 120.058 120.058 120.608 -0.550 25069 4206 1 8 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.974 -0.549 25069 4207 1 8 . 1 1 37 37 LEU C C 37 179.412 179.412 178.676 0.736 25069 4208 1 8 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.566 1.871 25069 4209 1 8 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.709 0.095 25069 4210 1 8 . 1 1 37 37 LEU H H 37 7.762 7.762 8.149 -0.387 25069 4211 1 8 . 1 1 38 38 LEU N N 38 116.987 116.987 119.460 -2.473 25069 4212 1 8 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.109 -0.444 25069 4213 1 8 . 1 1 38 38 LEU C C 38 178.279 178.279 179.664 -1.385 25069 4214 1 8 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.435 0.243 25069 4215 1 8 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.028 1.286 25069 4216 1 8 . 1 1 38 38 LEU H H 38 8.532 8.532 8.427 0.105 25069 4217 1 8 . 1 1 39 39 THR N N 39 108.650 108.650 110.816 -2.166 25069 4218 1 8 . 1 1 39 39 THR HA H 39 3.693 3.693 4.014 -0.321 25069 4219 1 8 . 1 1 39 39 THR C C 39 176.231 176.231 176.981 -0.750 25069 4220 1 8 . 1 1 39 39 THR CA C 39 65.997 65.997 65.845 0.152 25069 4221 1 8 . 1 1 39 39 THR CB C 39 69.618 69.618 68.830 0.788 25069 4222 1 8 . 1 1 39 39 THR H H 39 7.883 7.883 8.655 -0.772 25069 4223 1 8 . 1 1 40 40 ARG N N 40 115.482 115.482 119.745 -4.263 25069 4224 1 8 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.319 -0.167 25069 4225 1 8 . 1 1 40 40 ARG C C 40 178.520 178.520 178.431 0.089 25069 4226 1 8 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.365 -0.330 25069 4227 1 8 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.793 0.452 25069 4228 1 8 . 1 1 40 40 ARG H H 40 8.015 8.015 7.990 0.025 25069 4229 1 8 . 1 1 41 41 GLU N N 41 112.106 112.106 116.775 -4.669 25069 4230 1 8 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.446 0.388 25069 4231 1 8 . 1 1 41 41 GLU C C 41 177.856 177.856 177.272 0.584 25069 4232 1 8 . 1 1 41 41 GLU CA C 41 55.198 55.198 57.141 -1.943 25069 4233 1 8 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.701 -0.380 25069 4234 1 8 . 1 1 41 41 GLU H H 41 8.463 8.463 8.503 -0.040 25069 4235 1 8 . 1 1 42 42 LEU N N 42 119.287 119.287 120.693 -1.406 25069 4236 1 8 . 1 1 42 42 LEU HA H 42 5.052 5.052 5.110 -0.058 25069 4237 1 8 . 1 1 42 42 LEU C C 42 174.457 174.457 174.802 -0.345 25069 4238 1 8 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.623 0.215 25069 4239 1 8 . 1 1 42 42 LEU CB C 42 44.083 44.083 41.664 2.419 25069 4240 1 8 . 1 1 42 42 LEU H H 42 7.688 7.688 7.630 0.058 25069 4241 1 8 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.385 -0.181 25069 4242 1 8 . 1 1 43 43 PRO C C 43 179.969 179.969 178.507 1.462 25069 4243 1 8 . 1 1 43 43 PRO CA C 43 65.689 65.689 66.071 -0.382 25069 4244 1 8 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.898 -1.071 25069 4245 1 8 . 1 1 44 44 SER N N 44 114.352 114.352 112.632 1.720 25069 4246 1 8 . 1 1 44 44 SER HA H 44 4.093 4.093 4.177 -0.084 25069 4247 1 8 . 1 1 44 44 SER C C 44 175.709 175.709 176.535 -0.826 25069 4248 1 8 . 1 1 44 44 SER CA C 44 60.793 60.793 61.526 -0.733 25069 4249 1 8 . 1 1 44 44 SER CB C 44 62.400 62.400 62.684 -0.284 25069 4250 1 8 . 1 1 44 44 SER H H 44 8.674 8.674 8.401 0.273 25069 4251 1 8 . 1 1 45 45 PHE N N 45 121.558 121.558 119.073 2.485 25069 4252 1 8 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.204 -0.052 25069 4253 1 8 . 1 1 45 45 PHE C C 45 176.441 176.441 177.679 -1.238 25069 4254 1 8 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.236 -0.902 25069 4255 1 8 . 1 1 45 45 PHE CB C 45 39.789 39.789 38.674 1.115 25069 4256 1 8 . 1 1 45 45 PHE H H 45 7.952 7.952 7.608 0.344 25069 4257 1 8 . 1 1 46 46 LEU N N 46 117.590 117.590 115.931 1.659 25069 4258 1 8 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.446 -0.610 25069 4259 1 8 . 1 1 46 46 LEU C C 46 178.236 178.236 178.464 -0.228 25069 4260 1 8 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.571 1.573 25069 4261 1 8 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.742 0.774 25069 4262 1 8 . 1 1 46 46 LEU H H 46 7.906 7.906 7.927 -0.021 25069 4263 1 8 . 1 1 47 47 GLY N N 47 104.817 104.817 109.135 -4.318 25069 4264 1 8 . 1 1 47 47 GLY C C 47 174.665 174.665 176.049 -1.384 25069 4265 1 8 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.877 -0.892 25069 4266 1 8 . 1 1 47 47 GLY H H 47 7.646 7.646 7.598 0.048 25069 4267 1 8 . 1 1 48 48 LYS N N 48 120.422 120.422 118.918 1.504 25069 4268 1 8 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.222 -0.070 25069 4269 1 8 . 1 1 48 48 LYS C C 48 177.029 177.029 177.203 -0.174 25069 4270 1 8 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.907 -0.427 25069 4271 1 8 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.761 -0.509 25069 4272 1 8 . 1 1 48 48 LYS H H 48 8.400 8.400 7.498 0.902 25069 4273 1 8 . 1 1 49 49 ARG N N 49 119.815 119.815 120.053 -0.238 25069 4274 1 8 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.446 -0.143 25069 4275 1 8 . 1 1 49 49 ARG C C 49 175.183 175.183 174.112 1.071 25069 4276 1 8 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.479 0.220 25069 4277 1 8 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.064 -1.557 25069 4278 1 8 . 1 1 49 49 ARG H H 49 7.801 7.801 7.477 0.324 25069 4279 1 8 . 1 1 50 50 THR N N 50 110.525 110.525 113.585 -3.060 25069 4280 1 8 . 1 1 50 50 THR HA H 50 4.091 4.091 4.276 -0.185 25069 4281 1 8 . 1 1 50 50 THR C C 50 174.108 174.108 173.637 0.471 25069 4282 1 8 . 1 1 50 50 THR CA C 50 61.579 61.579 60.960 0.619 25069 4283 1 8 . 1 1 50 50 THR CB C 50 69.136 69.136 69.270 -0.134 25069 4284 1 8 . 1 1 50 50 THR H H 50 7.808 7.808 7.772 0.036 25069 4285 1 8 . 1 1 51 51 ASP N N 51 121.073 121.073 125.702 -4.629 25069 4286 1 8 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.758 -0.198 25069 4287 1 8 . 1 1 51 51 ASP C C 51 175.715 175.715 175.611 0.104 25069 4288 1 8 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.294 -0.240 25069 4289 1 8 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.495 -1.684 25069 4290 1 8 . 1 1 51 51 ASP H H 51 7.924 7.924 7.943 -0.019 25069 4291 1 8 . 1 1 52 52 GLU N N 52 120.418 120.418 123.337 -2.919 25069 4292 1 8 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.308 -0.266 25069 4293 1 8 . 1 1 52 52 GLU C C 52 178.726 178.726 178.050 0.676 25069 4294 1 8 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.096 -0.536 25069 4295 1 8 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.876 -0.492 25069 4296 1 8 . 1 1 52 52 GLU H H 52 8.515 8.515 9.033 -0.518 25069 4297 1 8 . 1 1 53 53 ALA N N 53 120.807 120.807 121.395 -0.588 25069 4298 1 8 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.133 -0.097 25069 4299 1 8 . 1 1 53 53 ALA C C 53 180.416 180.416 179.249 1.167 25069 4300 1 8 . 1 1 53 53 ALA CA C 53 55.141 55.141 55.200 -0.059 25069 4301 1 8 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.144 -0.200 25069 4302 1 8 . 1 1 53 53 ALA H H 53 8.242 8.242 8.744 -0.502 25069 4303 1 8 . 1 1 54 54 ALA N N 54 121.069 121.069 121.944 -0.875 25069 4304 1 8 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.065 -0.138 25069 4305 1 8 . 1 1 54 54 ALA C C 54 180.846 180.846 179.674 1.172 25069 4306 1 8 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.714 0.263 25069 4307 1 8 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.129 0.208 25069 4308 1 8 . 1 1 54 54 ALA H H 54 7.874 7.874 7.725 0.149 25069 4309 1 8 . 1 1 55 55 PHE N N 55 118.066 118.066 118.309 -0.243 25069 4310 1 8 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.054 -0.087 25069 4311 1 8 . 1 1 55 55 PHE C C 55 177.160 177.160 178.283 -1.123 25069 4312 1 8 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.532 -0.503 25069 4313 1 8 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.528 0.304 25069 4314 1 8 . 1 1 55 55 PHE H H 55 8.013 8.013 8.675 -0.662 25069 4315 1 8 . 1 1 56 56 GLN N N 56 118.474 118.474 119.439 -0.965 25069 4316 1 8 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.990 -0.250 25069 4317 1 8 . 1 1 56 56 GLN C C 56 178.531 178.531 178.067 0.464 25069 4318 1 8 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.097 -0.265 25069 4319 1 8 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.192 -0.338 25069 4320 1 8 . 1 1 56 56 GLN H H 56 8.265 8.265 8.709 -0.444 25069 4321 1 8 . 1 1 57 57 LYS N N 57 119.207 119.207 120.515 -1.308 25069 4322 1 8 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.023 -0.170 25069 4323 1 8 . 1 1 57 57 LYS C C 57 178.458 178.458 179.292 -0.834 25069 4324 1 8 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.216 -0.139 25069 4325 1 8 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.008 0.126 25069 4326 1 8 . 1 1 57 57 LYS H H 57 7.622 7.622 8.163 -0.541 25069 4327 1 8 . 1 1 58 58 LEU N N 58 119.398 119.398 120.819 -1.421 25069 4328 1 8 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.917 -0.012 25069 4329 1 8 . 1 1 58 58 LEU C C 58 178.444 178.444 178.300 0.144 25069 4330 1 8 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.764 0.357 25069 4331 1 8 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.714 -0.060 25069 4332 1 8 . 1 1 58 58 LEU H H 58 7.504 7.504 8.280 -0.776 25069 4333 1 8 . 1 1 59 59 MET N N 59 116.434 116.434 119.743 -3.309 25069 4334 1 8 . 1 1 59 59 MET HA H 59 3.614 3.614 3.815 -0.201 25069 4335 1 8 . 1 1 59 59 MET C C 59 177.513 177.513 177.952 -0.439 25069 4336 1 8 . 1 1 59 59 MET CA C 59 58.765 58.765 59.885 -1.120 25069 4337 1 8 . 1 1 59 59 MET CB C 59 31.060 31.060 32.479 -1.419 25069 4338 1 8 . 1 1 59 59 MET H H 59 8.049 8.049 8.632 -0.583 25069 4339 1 8 . 1 1 60 60 SER N N 60 111.447 111.447 114.143 -2.696 25069 4340 1 8 . 1 1 60 60 SER HA H 60 4.066 4.066 4.093 -0.027 25069 4341 1 8 . 1 1 60 60 SER C C 60 175.986 175.986 176.554 -0.568 25069 4342 1 8 . 1 1 60 60 SER CA C 60 61.416 61.416 61.690 -0.274 25069 4343 1 8 . 1 1 60 60 SER CB C 60 62.945 62.945 62.602 0.343 25069 4344 1 8 . 1 1 60 60 SER H H 60 7.839 7.839 8.382 -0.543 25069 4345 1 8 . 1 1 61 61 ASN N N 61 117.559 117.559 119.894 -2.335 25069 4346 1 8 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.508 -0.158 25069 4347 1 8 . 1 1 61 61 ASN C C 61 176.377 176.377 176.754 -0.377 25069 4348 1 8 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.520 -0.517 25069 4349 1 8 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.415 0.458 25069 4350 1 8 . 1 1 61 61 ASN H H 61 7.615 7.615 7.853 -0.238 25069 4351 1 8 . 1 1 62 62 LEU N N 62 117.926 117.926 116.655 1.271 25069 4352 1 8 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.301 -0.273 25069 4353 1 8 . 1 1 62 62 LEU C C 62 178.394 178.394 177.843 0.551 25069 4354 1 8 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.107 0.890 25069 4355 1 8 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.391 1.012 25069 4356 1 8 . 1 1 62 62 LEU H H 62 7.719 7.719 7.662 0.057 25069 4357 1 8 . 1 1 63 63 ASP N N 63 115.899 115.899 119.429 -3.530 25069 4358 1 8 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.825 -0.257 25069 4359 1 8 . 1 1 63 63 ASP C C 63 176.866 176.866 176.558 0.308 25069 4360 1 8 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.418 -1.678 25069 4361 1 8 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.090 -0.605 25069 4362 1 8 . 1 1 63 63 ASP H H 63 7.707 7.707 8.533 -0.826 25069 4363 1 8 . 1 1 64 64 SER N N 64 121.158 121.158 121.524 -0.366 25069 4364 1 8 . 1 1 64 64 SER HA H 64 4.080 4.080 4.362 -0.281 25069 4365 1 8 . 1 1 64 64 SER C C 64 175.780 175.780 175.579 0.201 25069 4366 1 8 . 1 1 64 64 SER CA C 64 60.698 60.698 59.690 1.008 25069 4367 1 8 . 1 1 64 64 SER CB C 64 63.034 63.034 63.428 -0.394 25069 4368 1 8 . 1 1 64 64 SER H H 64 8.034 8.034 8.525 -0.491 25069 4369 1 8 . 1 1 65 65 ASN N N 65 115.443 115.443 118.689 -3.246 25069 4370 1 8 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.620 0.044 25069 4371 1 8 . 1 1 65 65 ASN C C 65 174.775 174.775 175.636 -0.861 25069 4372 1 8 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.918 -1.919 25069 4373 1 8 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.621 -1.450 25069 4374 1 8 . 1 1 65 65 ASN H H 65 8.055 8.055 8.194 -0.139 25069 4375 1 8 . 1 1 66 66 ARG N N 66 114.242 114.242 116.676 -2.434 25069 4376 1 8 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.411 -0.484 25069 4377 1 8 . 1 1 66 66 ARG C C 66 175.354 175.354 175.065 0.289 25069 4378 1 8 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.187 -0.028 25069 4379 1 8 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.178 -0.325 25069 4380 1 8 . 1 1 66 66 ARG H H 66 7.560 7.560 8.223 -0.663 25069 4381 1 8 . 1 1 67 67 ASP N N 67 118.260 118.260 119.815 -1.555 25069 4382 1 8 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.789 -0.187 25069 4383 1 8 . 1 1 67 67 ASP C C 67 177.143 177.143 176.455 0.688 25069 4384 1 8 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.606 -0.587 25069 4385 1 8 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.990 -1.286 25069 4386 1 8 . 1 1 67 67 ASP H H 67 8.406 8.406 8.519 -0.113 25069 4387 1 8 . 1 1 68 68 ASN N N 68 115.091 115.091 115.793 -0.702 25069 4388 1 8 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.348 -0.369 25069 4389 1 8 . 1 1 68 68 ASN C C 68 173.046 173.046 173.137 -0.091 25069 4390 1 8 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.517 0.820 25069 4391 1 8 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.739 0.151 25069 4392 1 8 . 1 1 68 68 ASN H H 68 10.021 10.021 9.009 1.012 25069 4393 1 8 . 1 1 69 69 GLU N N 69 115.671 115.671 116.504 -0.833 25069 4394 1 8 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.939 -0.241 25069 4395 1 8 . 1 1 69 69 GLU C C 69 175.335 175.335 174.885 0.450 25069 4396 1 8 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.115 -0.244 25069 4397 1 8 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.426 2.207 25069 4398 1 8 . 1 1 69 69 GLU H H 69 7.724 7.724 7.855 -0.131 25069 4399 1 8 . 1 1 70 70 VAL N N 70 124.606 124.606 125.880 -1.274 25069 4400 1 8 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.259 0.876 25069 4401 1 8 . 1 1 70 70 VAL C C 70 175.876 175.876 176.439 -0.563 25069 4402 1 8 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.979 -1.837 25069 4403 1 8 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.350 1.207 25069 4404 1 8 . 1 1 70 70 VAL H H 70 9.814 9.814 8.906 0.908 25069 4405 1 8 . 1 1 71 71 ASP N N 71 127.612 127.612 128.790 -1.178 25069 4406 1 8 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.332 -0.307 25069 4407 1 8 . 1 1 71 71 ASP C C 71 175.018 175.018 176.916 -1.898 25069 4408 1 8 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.854 -1.293 25069 4409 1 8 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.210 -1.231 25069 4410 1 8 . 1 1 71 71 ASP H H 71 8.896 8.896 9.788 -0.892 25069 4411 1 8 . 1 1 72 72 PHE N N 72 117.738 117.738 120.204 -2.466 25069 4412 1 8 . 1 1 72 72 PHE C C 72 177.390 177.390 176.990 0.400 25069 4413 1 8 . 1 1 72 72 PHE CA C 72 63.026 63.026 60.930 2.096 25069 4414 1 8 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.986 0.242 25069 4415 1 8 . 1 1 72 72 PHE H H 72 8.993 8.993 8.484 0.509 25069 4416 1 8 . 1 1 73 73 GLN N N 73 120.479 120.479 118.992 1.487 25069 4417 1 8 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.753 0.051 25069 4418 1 8 . 1 1 73 73 GLN C C 73 178.583 178.583 177.955 0.628 25069 4419 1 8 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.508 0.552 25069 4420 1 8 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.488 -0.660 25069 4421 1 8 . 1 1 73 73 GLN H H 73 8.246 8.246 9.183 -0.937 25069 4422 1 8 . 1 1 74 74 GLU N N 74 120.179 120.179 119.371 0.808 25069 4423 1 8 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.988 -0.144 25069 4424 1 8 . 1 1 74 74 GLU C C 74 180.584 180.584 179.273 1.311 25069 4425 1 8 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.263 -0.250 25069 4426 1 8 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.543 0.863 25069 4427 1 8 . 1 1 74 74 GLU H H 74 8.782 8.782 9.246 -0.464 25069 4428 1 8 . 1 1 75 75 TYR N N 75 122.109 122.109 120.940 1.169 25069 4429 1 8 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.349 -0.337 25069 4430 1 8 . 1 1 75 75 TYR C C 75 175.383 175.383 177.100 -1.717 25069 4431 1 8 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.999 -0.776 25069 4432 1 8 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.602 0.188 25069 4433 1 8 . 1 1 75 75 TYR H H 75 8.619 8.619 8.310 0.309 25069 4434 1 8 . 1 1 76 76 SER N N 76 117.790 117.790 116.751 1.039 25069 4435 1 8 . 1 1 76 76 SER HA H 76 3.326 3.326 3.750 -0.424 25069 4436 1 8 . 1 1 76 76 SER C C 76 176.930 176.930 176.518 0.412 25069 4437 1 8 . 1 1 76 76 SER CA C 76 62.377 62.377 62.181 0.196 25069 4438 1 8 . 1 1 76 76 SER CB C 76 62.573 62.573 62.451 0.122 25069 4439 1 8 . 1 1 76 76 SER H H 76 8.654 8.654 8.054 0.600 25069 4440 1 8 . 1 1 77 77 VAL N N 77 123.033 123.033 123.092 -0.059 25069 4441 1 8 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.664 -0.085 25069 4442 1 8 . 1 1 77 77 VAL C C 77 178.969 178.969 177.735 1.234 25069 4443 1 8 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.127 -0.031 25069 4444 1 8 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.515 0.462 25069 4445 1 8 . 1 1 77 77 VAL H H 77 7.844 7.844 8.464 -0.620 25069 4446 1 8 . 1 1 78 78 PHE N N 78 121.473 121.473 121.420 0.053 25069 4447 1 8 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.084 0.264 25069 4448 1 8 . 1 1 78 78 PHE C C 78 177.726 177.726 176.679 1.047 25069 4449 1 8 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.785 -1.456 25069 4450 1 8 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.577 -0.033 25069 4451 1 8 . 1 1 78 78 PHE H H 78 7.439 7.439 7.490 -0.051 25069 4452 1 8 . 1 1 79 79 LEU N N 79 118.574 118.574 118.043 0.531 25069 4453 1 8 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.038 0.192 25069 4454 1 8 . 1 1 79 79 LEU C C 79 178.837 178.837 178.921 -0.084 25069 4455 1 8 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.791 -0.061 25069 4456 1 8 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.919 -0.466 25069 4457 1 8 . 1 1 79 79 LEU H H 79 8.298 8.298 8.003 0.295 25069 4458 1 8 . 1 1 80 80 SER N N 80 112.827 112.827 115.050 -2.223 25069 4459 1 8 . 1 1 80 80 SER HA H 80 3.978 3.978 4.027 -0.049 25069 4460 1 8 . 1 1 80 80 SER C C 80 175.796 175.796 176.936 -1.140 25069 4461 1 8 . 1 1 80 80 SER CA C 80 62.278 62.278 61.982 0.296 25069 4462 1 8 . 1 1 80 80 SER CB C 80 63.148 63.148 62.461 0.687 25069 4463 1 8 . 1 1 80 80 SER H H 80 7.728 7.728 8.235 -0.507 25069 4464 1 8 . 1 1 81 81 SER N N 81 117.584 117.584 119.620 -2.036 25069 4465 1 8 . 1 1 81 81 SER HA H 81 4.151 4.151 4.116 0.035 25069 4466 1 8 . 1 1 81 81 SER C C 81 176.761 176.761 176.796 -0.035 25069 4467 1 8 . 1 1 81 81 SER CA C 81 61.673 61.673 62.128 -0.455 25069 4468 1 8 . 1 1 81 81 SER CB C 81 62.441 62.441 62.848 -0.407 25069 4469 1 8 . 1 1 81 81 SER H H 81 7.703 7.703 8.077 -0.374 25069 4470 1 8 . 1 1 82 82 ILE N N 82 122.194 122.194 122.367 -0.173 25069 4471 1 8 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.560 0.088 25069 4472 1 8 . 1 1 82 82 ILE C C 82 178.743 178.743 177.952 0.791 25069 4473 1 8 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.599 -1.450 25069 4474 1 8 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.360 -0.635 25069 4475 1 8 . 1 1 82 82 ILE H H 82 7.490 7.490 8.042 -0.552 25069 4476 1 8 . 1 1 83 83 ALA N N 83 123.288 123.288 122.223 1.065 25069 4477 1 8 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.980 -0.166 25069 4478 1 8 . 1 1 83 83 ALA C C 83 179.019 179.019 179.598 -0.579 25069 4479 1 8 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.243 0.284 25069 4480 1 8 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.485 -0.836 25069 4481 1 8 . 1 1 83 83 ALA H H 83 8.190 8.190 7.839 0.351 25069 4482 1 8 . 1 1 84 84 MET N N 84 114.549 114.549 116.213 -1.664 25069 4483 1 8 . 1 1 84 84 MET HA H 84 4.660 4.660 4.265 0.395 25069 4484 1 8 . 1 1 84 84 MET C C 84 174.776 174.776 178.114 -3.338 25069 4485 1 8 . 1 1 84 84 MET CA C 84 58.603 58.603 57.977 0.626 25069 4486 1 8 . 1 1 84 84 MET CB C 84 37.147 37.147 32.305 4.842 25069 4487 1 8 . 1 1 84 84 MET H H 84 8.060 8.060 8.465 -0.405 25069 4488 1 8 . 1 1 85 85 MET N N 85 114.638 114.638 119.986 -5.348 25069 4489 1 8 . 1 1 85 85 MET HA H 85 4.079 4.079 4.541 -0.462 25069 4490 1 8 . 1 1 85 85 MET C C 85 178.153 178.153 178.461 -0.308 25069 4491 1 8 . 1 1 85 85 MET CA C 85 58.444 58.444 58.661 -0.217 25069 4492 1 8 . 1 1 85 85 MET CB C 85 32.523 32.523 32.217 0.306 25069 4493 1 8 . 1 1 85 85 MET H H 85 8.097 8.097 8.457 -0.360 25069 4494 1 8 . 1 1 86 86 SER N N 86 114.719 114.719 115.933 -1.214 25069 4495 1 8 . 1 1 86 86 SER HA H 86 4.184 4.184 4.279 -0.095 25069 4496 1 8 . 1 1 86 86 SER C C 86 176.656 176.656 176.518 0.138 25069 4497 1 8 . 1 1 86 86 SER CA C 86 60.867 60.867 62.093 -1.226 25069 4498 1 8 . 1 1 86 86 SER CB C 86 63.250 63.250 62.685 0.565 25069 4499 1 8 . 1 1 86 86 SER H H 86 8.119 8.119 8.715 -0.596 25069 4500 1 8 . 1 1 87 87 ASN N N 87 119.754 119.754 120.076 -0.322 25069 4501 1 8 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.719 -0.141 25069 4502 1 8 . 1 1 87 87 ASN C C 87 176.062 176.062 177.229 -1.167 25069 4503 1 8 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.977 0.199 25069 4504 1 8 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.905 -0.157 25069 4505 1 8 . 1 1 87 87 ASN H H 87 8.328 8.328 7.756 0.572 25069 4506 1 8 . 1 1 88 88 GLU N N 88 117.928 117.928 120.265 -2.337 25069 4507 1 8 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.450 -0.711 25069 4508 1 8 . 1 1 88 88 GLU C C 88 177.870 177.870 178.746 -0.876 25069 4509 1 8 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.925 0.007 25069 4510 1 8 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.547 -0.265 25069 4511 1 8 . 1 1 88 88 GLU H H 88 7.747 7.747 8.613 -0.866 25069 4512 1 8 . 1 1 89 89 PHE N N 89 116.133 116.133 119.419 -3.286 25069 4513 1 8 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.404 -0.235 25069 4514 1 8 . 1 1 89 89 PHE C C 89 176.404 176.404 176.270 0.134 25069 4515 1 8 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.205 -0.149 25069 4516 1 8 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.614 -0.772 25069 4517 1 8 . 1 1 89 89 PHE H H 89 7.465 7.465 7.870 -0.405 25069 4518 1 8 . 1 1 90 90 PHE N N 90 119.130 119.130 120.593 -1.463 25069 4519 1 8 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.161 -0.106 25069 4520 1 8 . 1 1 90 90 PHE C C 90 176.420 176.420 176.517 -0.097 25069 4521 1 8 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.204 -0.434 25069 4522 1 8 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.541 -0.228 25069 4523 1 8 . 1 1 90 90 PHE H H 90 7.537 7.537 7.598 -0.061 25069 4524 1 8 . 1 1 91 91 GLU N N 91 118.971 118.971 117.114 1.857 25069 4525 1 8 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.236 -0.496 25069 4526 1 8 . 1 1 91 91 GLU C C 91 176.491 176.491 177.663 -1.172 25069 4527 1 8 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.795 0.436 25069 4528 1 8 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.639 -0.591 25069 4529 1 8 . 1 1 91 91 GLU H H 91 7.938 7.938 8.300 -0.362 25069 4530 1 8 . 1 1 92 92 GLY N N 92 105.912 105.912 107.097 -1.185 25069 4531 1 8 . 1 1 92 92 GLY C C 92 173.288 173.288 173.549 -0.261 25069 4532 1 8 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.828 0.236 25069 4533 1 8 . 1 1 92 92 GLY H H 92 7.201 7.201 7.678 -0.477 25069 4534 1 8 . 1 1 93 93 PHE N N 93 118.877 118.877 119.590 -0.713 25069 4535 1 8 . 1 1 93 93 PHE C C 93 174.128 174.128 172.942 1.186 25069 4536 1 8 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.963 1.246 25069 4537 1 8 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.456 -2.686 25069 4538 1 8 . 1 1 93 93 PHE H H 93 7.844 7.844 7.467 0.377 25069 4539 1 8 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.728 -0.522 25069 4540 1 8 . 1 1 94 94 PRO C C 94 176.669 176.669 175.331 1.338 25069 4541 1 8 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.000 0.701 25069 4542 1 8 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.496 1.340 25069 4543 1 8 . 1 1 95 95 ASP N N 95 118.031 118.031 121.486 -3.455 25069 4544 1 8 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.833 -0.426 25069 4545 1 8 . 1 1 95 95 ASP C C 95 176.139 176.139 176.466 -0.327 25069 4546 1 8 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.436 0.045 25069 4547 1 8 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.419 -1.398 25069 4548 1 8 . 1 1 95 95 ASP H H 95 8.144 8.144 8.888 -0.744 25069 4549 1 8 . 1 1 96 96 LYS N N 96 119.472 119.472 117.183 2.289 25069 4550 1 8 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.319 -0.182 25069 4551 1 8 . 1 1 96 96 LYS C C 96 176.212 176.212 176.453 -0.241 25069 4552 1 8 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.776 -0.597 25069 4553 1 8 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.678 0.105 25069 4554 1 8 . 1 1 96 96 LYS H H 96 7.980 7.980 7.638 0.342 25069 4555 1 8 . 1 1 97 97 GLN N N 97 120.185 120.185 119.325 0.860 25069 4556 1 8 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.761 -0.340 25069 4557 1 8 . 1 1 97 97 GLN C C 97 173.700 173.700 174.874 -1.174 25069 4558 1 8 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.242 1.561 25069 4559 1 8 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.938 0.794 25069 4560 1 8 . 1 1 97 97 GLN H H 97 8.007 8.007 7.690 0.317 25069 4561 1 8 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.449 -0.206 25069 4562 1 8 . 1 1 98 98 PRO C C 98 176.605 176.605 178.261 -1.656 25069 4563 1 8 . 1 1 98 98 PRO CA C 98 63.014 63.014 64.474 -1.460 25069 4564 1 8 . 1 1 98 98 PRO CB C 98 31.937 31.937 32.005 -0.069 25069 4565 1 8 . 1 1 99 99 ARG N N 99 120.677 120.677 114.858 5.819 25069 4566 1 8 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.852 0.293 25069 4567 1 8 . 1 1 99 99 ARG C C 99 176.053 176.053 176.576 -0.523 25069 4568 1 8 . 1 1 99 99 ARG CA C 99 55.972 55.972 59.035 -3.063 25069 4569 1 8 . 1 1 99 99 ARG CB C 99 30.894 30.894 27.969 2.925 25069 4570 1 8 . 1 1 99 99 ARG H H 99 8.254 8.254 8.506 -0.252 25069 4571 1 8 . 1 1 100 100 LYS N N 100 122.775 122.775 120.395 2.380 25069 4572 1 8 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.188 -0.044 25069 4573 1 8 . 1 1 100 100 LYS C C 100 175.376 175.376 176.900 -1.524 25069 4574 1 8 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.513 -1.117 25069 4575 1 8 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.858 0.431 25069 4576 1 8 . 1 1 100 100 LYS H H 100 8.230 8.230 8.126 0.104 25069 4577 1 9 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.584 -0.375 25069 4578 1 9 . 1 1 2 2 ALA C C 2 173.983 173.983 176.989 -3.006 25069 4579 1 9 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.510 0.092 25069 4580 1 9 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.928 1.948 25069 4581 1 9 . 1 1 3 3 SER N N 3 121.630 121.630 119.249 2.381 25069 4582 1 9 . 1 1 3 3 SER C C 3 172.689 172.689 174.253 -1.564 25069 4583 1 9 . 1 1 3 3 SER CA C 3 56.943 56.943 59.636 -2.693 25069 4584 1 9 . 1 1 3 3 SER CB C 3 63.102 63.102 61.512 1.590 25069 4585 1 9 . 1 1 3 3 SER H H 3 9.907 9.907 8.002 1.905 25069 4586 1 9 . 1 1 4 4 PRO C C 4 179.695 179.695 177.671 2.024 25069 4587 1 9 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.587 0.147 25069 4588 1 9 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.431 0.349 25069 4589 1 9 . 1 1 5 5 LEU N N 5 118.522 118.522 118.418 0.104 25069 4590 1 9 . 1 1 5 5 LEU HA H 5 4.031 4.031 4.020 0.011 25069 4591 1 9 . 1 1 5 5 LEU C C 5 177.968 177.968 178.342 -0.374 25069 4592 1 9 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.291 -0.644 25069 4593 1 9 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.824 0.811 25069 4594 1 9 . 1 1 5 5 LEU H H 5 8.277 8.277 7.551 0.726 25069 4595 1 9 . 1 1 6 6 GLU N N 6 118.997 118.997 118.154 0.843 25069 4596 1 9 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.042 -0.346 25069 4597 1 9 . 1 1 6 6 GLU C C 6 180.177 180.177 179.326 0.851 25069 4598 1 9 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.251 1.088 25069 4599 1 9 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.032 0.802 25069 4600 1 9 . 1 1 6 6 GLU H H 6 8.130 8.130 7.903 0.227 25069 4601 1 9 . 1 1 7 7 LYS N N 7 117.838 117.838 117.931 -0.093 25069 4602 1 9 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.214 -0.218 25069 4603 1 9 . 1 1 7 7 LYS C C 7 178.764 178.764 178.731 0.033 25069 4604 1 9 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.656 1.700 25069 4605 1 9 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.592 0.567 25069 4606 1 9 . 1 1 7 7 LYS H H 7 8.341 8.341 7.477 0.864 25069 4607 1 9 . 1 1 8 8 ALA N N 8 122.327 122.327 122.228 0.099 25069 4608 1 9 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.258 -0.279 25069 4609 1 9 . 1 1 8 8 ALA C C 8 179.482 179.482 179.322 0.160 25069 4610 1 9 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.410 0.758 25069 4611 1 9 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.074 0.220 25069 4612 1 9 . 1 1 8 8 ALA H H 8 8.082 8.082 7.901 0.181 25069 4613 1 9 . 1 1 9 9 LEU N N 9 118.212 118.212 118.789 -0.577 25069 4614 1 9 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.871 0.076 25069 4615 1 9 . 1 1 9 9 LEU C C 9 178.844 178.844 178.637 0.207 25069 4616 1 9 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.682 0.527 25069 4617 1 9 . 1 1 9 9 LEU CB C 9 41.616 41.616 40.976 0.640 25069 4618 1 9 . 1 1 9 9 LEU H H 9 8.042 8.042 7.821 0.221 25069 4619 1 9 . 1 1 10 10 ASP N N 10 117.997 117.997 119.053 -1.056 25069 4620 1 9 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.397 -0.010 25069 4621 1 9 . 1 1 10 10 ASP C C 10 179.582 179.582 178.329 1.253 25069 4622 1 9 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.249 0.521 25069 4623 1 9 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.195 -0.201 25069 4624 1 9 . 1 1 10 10 ASP H H 10 7.587 7.587 7.610 -0.023 25069 4625 1 9 . 1 1 11 11 VAL N N 11 120.702 120.702 119.798 0.904 25069 4626 1 9 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.895 -0.158 25069 4627 1 9 . 1 1 11 11 VAL C C 11 180.061 180.061 178.344 1.717 25069 4628 1 9 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.350 0.794 25069 4629 1 9 . 1 1 11 11 VAL CB C 11 31.626 31.626 30.909 0.717 25069 4630 1 9 . 1 1 11 11 VAL H H 11 8.099 8.099 7.699 0.400 25069 4631 1 9 . 1 1 12 12 MET N N 12 123.185 123.185 120.421 2.764 25069 4632 1 9 . 1 1 12 12 MET HA H 12 3.921 3.921 4.423 -0.502 25069 4633 1 9 . 1 1 12 12 MET C C 12 178.871 178.871 177.916 0.955 25069 4634 1 9 . 1 1 12 12 MET CA C 12 60.784 60.784 58.768 2.016 25069 4635 1 9 . 1 1 12 12 MET CB C 12 32.579 32.579 31.538 1.041 25069 4636 1 9 . 1 1 12 12 MET H H 12 8.454 8.454 8.046 0.408 25069 4637 1 9 . 1 1 13 13 VAL N N 13 118.900 118.900 119.203 -0.303 25069 4638 1 9 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.960 -0.035 25069 4639 1 9 . 1 1 13 13 VAL C C 13 177.712 177.712 179.190 -1.478 25069 4640 1 9 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.515 0.165 25069 4641 1 9 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.843 2.404 25069 4642 1 9 . 1 1 13 13 VAL H H 13 8.117 8.117 7.539 0.578 25069 4643 1 9 . 1 1 14 14 SER N N 14 114.675 114.675 116.852 -2.177 25069 4644 1 9 . 1 1 14 14 SER HA H 14 3.966 3.966 4.584 -0.618 25069 4645 1 9 . 1 1 14 14 SER C C 14 178.306 178.306 176.930 1.376 25069 4646 1 9 . 1 1 14 14 SER CA C 14 61.937 61.937 61.514 0.423 25069 4647 1 9 . 1 1 14 14 SER CB C 14 62.474 62.474 63.178 -0.704 25069 4648 1 9 . 1 1 14 14 SER H H 14 8.935 8.935 7.805 1.130 25069 4649 1 9 . 1 1 15 15 THR N N 15 117.582 117.582 120.389 -2.807 25069 4650 1 9 . 1 1 15 15 THR HA H 15 4.190 4.190 4.056 0.134 25069 4651 1 9 . 1 1 15 15 THR C C 15 174.459 174.459 176.120 -1.661 25069 4652 1 9 . 1 1 15 15 THR CA C 15 67.683 67.683 67.289 0.394 25069 4653 1 9 . 1 1 15 15 THR CB C 15 68.187 68.187 69.006 -0.819 25069 4654 1 9 . 1 1 15 15 THR H H 15 8.543 8.543 8.428 0.115 25069 4655 1 9 . 1 1 16 16 PHE N N 16 118.606 118.606 121.963 -3.357 25069 4656 1 9 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.875 -0.506 25069 4657 1 9 . 1 1 16 16 PHE C C 16 176.480 176.480 177.596 -1.116 25069 4658 1 9 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.976 0.505 25069 4659 1 9 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.927 0.309 25069 4660 1 9 . 1 1 16 16 PHE H H 16 6.809 6.809 8.228 -1.419 25069 4661 1 9 . 1 1 17 17 HIS N N 17 114.536 114.536 119.346 -4.810 25069 4662 1 9 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.206 0.520 25069 4663 1 9 . 1 1 17 17 HIS C C 17 177.124 177.124 177.504 -0.380 25069 4664 1 9 . 1 1 17 17 HIS CA C 17 57.727 57.727 60.299 -2.572 25069 4665 1 9 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.517 0.631 25069 4666 1 9 . 1 1 17 17 HIS H H 17 6.955 6.955 8.182 -1.227 25069 4667 1 9 . 1 1 18 18 LYS N N 18 120.739 120.739 119.837 0.902 25069 4668 1 9 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.866 -0.148 25069 4669 1 9 . 1 1 18 18 LYS C C 18 177.006 177.006 178.200 -1.194 25069 4670 1 9 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.337 -0.469 25069 4671 1 9 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.385 -0.271 25069 4672 1 9 . 1 1 18 18 LYS H H 18 7.820 7.820 8.059 -0.239 25069 4673 1 9 . 1 1 19 19 TYR N N 19 112.545 112.545 115.576 -3.031 25069 4674 1 9 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.351 -0.212 25069 4675 1 9 . 1 1 19 19 TYR C C 19 176.218 176.218 177.678 -1.460 25069 4676 1 9 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.814 -0.916 25069 4677 1 9 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.125 1.332 25069 4678 1 9 . 1 1 19 19 TYR H H 19 6.730 6.730 7.635 -0.905 25069 4679 1 9 . 1 1 20 20 SER N N 20 113.404 113.404 116.758 -3.354 25069 4680 1 9 . 1 1 20 20 SER HA H 20 3.385 3.385 4.032 -0.647 25069 4681 1 9 . 1 1 20 20 SER C C 20 176.961 176.961 176.299 0.662 25069 4682 1 9 . 1 1 20 20 SER CA C 20 61.866 61.866 61.313 0.553 25069 4683 1 9 . 1 1 20 20 SER CB C 20 60.904 60.904 62.918 -2.014 25069 4684 1 9 . 1 1 20 20 SER H H 20 8.493 8.493 8.216 0.277 25069 4685 1 9 . 1 1 21 21 GLY N N 21 109.001 109.001 107.903 1.098 25069 4686 1 9 . 1 1 21 21 GLY C C 21 173.502 173.502 174.069 -0.567 25069 4687 1 9 . 1 1 21 21 GLY CA C 21 45.539 45.539 45.360 0.179 25069 4688 1 9 . 1 1 21 21 GLY H H 21 7.512 7.512 8.268 -0.756 25069 4689 1 9 . 1 1 22 22 LYS N N 22 120.754 120.754 119.359 1.395 25069 4690 1 9 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.226 -0.431 25069 4691 1 9 . 1 1 22 22 LYS C C 22 177.354 177.354 176.330 1.024 25069 4692 1 9 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.414 2.593 25069 4693 1 9 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.365 -0.382 25069 4694 1 9 . 1 1 22 22 LYS H H 22 6.958 6.958 7.418 -0.460 25069 4695 1 9 . 1 1 23 23 GLU N N 23 115.305 115.305 117.484 -2.179 25069 4696 1 9 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.459 -0.001 25069 4697 1 9 . 1 1 23 23 GLU C C 23 176.733 176.733 176.518 0.215 25069 4698 1 9 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.198 -0.763 25069 4699 1 9 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.272 2.082 25069 4700 1 9 . 1 1 23 23 GLU H H 23 9.425 9.425 7.798 1.627 25069 4701 1 9 . 1 1 24 24 GLY N N 24 112.542 112.542 110.958 1.584 25069 4702 1 9 . 1 1 24 24 GLY C C 24 173.486 173.486 174.293 -0.807 25069 4703 1 9 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.372 -0.030 25069 4704 1 9 . 1 1 24 24 GLY H H 24 8.879 8.879 8.569 0.310 25069 4705 1 9 . 1 1 25 25 ASP N N 25 125.117 125.117 121.809 3.308 25069 4706 1 9 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.807 -0.524 25069 4707 1 9 . 1 1 25 25 ASP C C 25 179.177 179.177 175.755 3.422 25069 4708 1 9 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.983 2.131 25069 4709 1 9 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.762 -1.026 25069 4710 1 9 . 1 1 25 25 ASP H H 25 8.423 8.423 8.162 0.261 25069 4711 1 9 . 1 1 26 26 LYS N N 26 131.175 131.175 117.187 13.988 25069 4712 1 9 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.552 -0.356 25069 4713 1 9 . 1 1 26 26 LYS C C 26 176.638 176.638 175.278 1.360 25069 4714 1 9 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.874 1.094 25069 4715 1 9 . 1 1 26 26 LYS CB C 26 31.223 31.223 34.147 -2.924 25069 4716 1 9 . 1 1 26 26 LYS H H 26 9.247 9.247 8.524 0.723 25069 4717 1 9 . 1 1 27 27 PHE N N 27 118.593 118.593 118.969 -0.376 25069 4718 1 9 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.972 -0.273 25069 4719 1 9 . 1 1 27 27 PHE C C 27 173.452 173.452 174.209 -0.757 25069 4720 1 9 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.818 -1.786 25069 4721 1 9 . 1 1 27 27 PHE CB C 27 39.091 39.091 41.328 -2.237 25069 4722 1 9 . 1 1 27 27 PHE H H 27 9.335 9.335 9.098 0.237 25069 4723 1 9 . 1 1 28 28 LYS N N 28 113.854 113.854 118.856 -5.002 25069 4724 1 9 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.237 -0.233 25069 4725 1 9 . 1 1 28 28 LYS C C 28 174.468 174.468 175.189 -0.721 25069 4726 1 9 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.865 0.422 25069 4727 1 9 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.233 1.785 25069 4728 1 9 . 1 1 28 28 LYS H H 28 6.985 6.985 7.434 -0.449 25069 4729 1 9 . 1 1 29 29 LEU N N 29 124.858 124.858 125.139 -0.281 25069 4730 1 9 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.387 0.626 25069 4731 1 9 . 1 1 29 29 LEU C C 29 175.791 175.791 175.834 -0.043 25069 4732 1 9 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.809 -1.210 25069 4733 1 9 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.680 1.877 25069 4734 1 9 . 1 1 29 29 LEU H H 29 9.454 9.454 9.009 0.445 25069 4735 1 9 . 1 1 30 30 ASN N N 30 122.896 122.896 121.931 0.965 25069 4736 1 9 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.120 -0.542 25069 4737 1 9 . 1 1 30 30 ASN C C 30 174.969 174.969 176.643 -1.674 25069 4738 1 9 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.014 -0.916 25069 4739 1 9 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.776 -2.418 25069 4740 1 9 . 1 1 30 30 ASN H H 30 9.560 9.560 8.161 1.399 25069 4741 1 9 . 1 1 31 31 LYS N N 31 115.136 115.136 120.616 -5.480 25069 4742 1 9 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.825 0.045 25069 4743 1 9 . 1 1 31 31 LYS C C 31 177.992 177.992 178.236 -0.244 25069 4744 1 9 . 1 1 31 31 LYS CA C 31 61.035 61.035 61.111 -0.076 25069 4745 1 9 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.243 -0.038 25069 4746 1 9 . 1 1 31 31 LYS H H 31 8.204 8.204 8.911 -0.707 25069 4747 1 9 . 1 1 32 32 SER N N 32 113.755 113.755 115.314 -1.559 25069 4748 1 9 . 1 1 32 32 SER HA H 32 3.939 3.939 4.013 -0.074 25069 4749 1 9 . 1 1 32 32 SER C C 32 177.484 177.484 176.617 0.867 25069 4750 1 9 . 1 1 32 32 SER CA C 32 61.374 61.374 62.252 -0.878 25069 4751 1 9 . 1 1 32 32 SER CB C 32 62.733 62.733 62.458 0.275 25069 4752 1 9 . 1 1 32 32 SER H H 32 7.575 7.575 8.366 -0.791 25069 4753 1 9 . 1 1 33 33 GLU N N 33 122.657 122.657 122.161 0.496 25069 4754 1 9 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.076 -0.163 25069 4755 1 9 . 1 1 33 33 GLU C C 33 178.560 178.560 178.848 -0.288 25069 4756 1 9 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.864 -0.022 25069 4757 1 9 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.027 2.172 25069 4758 1 9 . 1 1 33 33 GLU H H 33 8.608 8.608 7.728 0.880 25069 4759 1 9 . 1 1 34 34 LEU N N 34 117.375 117.375 122.159 -4.784 25069 4760 1 9 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.768 0.037 25069 4761 1 9 . 1 1 34 34 LEU C C 34 177.693 177.693 178.107 -0.414 25069 4762 1 9 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.499 -0.723 25069 4763 1 9 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.774 -0.077 25069 4764 1 9 . 1 1 34 34 LEU H H 34 8.859 8.859 8.562 0.297 25069 4765 1 9 . 1 1 35 35 LYS N N 35 117.418 117.418 118.858 -1.440 25069 4766 1 9 . 1 1 35 35 LYS HA H 35 3.526 3.526 2.978 0.548 25069 4767 1 9 . 1 1 35 35 LYS C C 35 179.129 179.129 178.552 0.577 25069 4768 1 9 . 1 1 35 35 LYS CA C 35 60.166 60.166 59.987 0.179 25069 4769 1 9 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.654 0.105 25069 4770 1 9 . 1 1 35 35 LYS H H 35 7.901 7.901 8.190 -0.289 25069 4771 1 9 . 1 1 36 36 GLU N N 36 120.491 120.491 119.288 1.203 25069 4772 1 9 . 1 1 36 36 GLU HA H 36 3.719 3.719 3.990 -0.272 25069 4773 1 9 . 1 1 36 36 GLU C C 36 176.354 176.354 179.149 -2.795 25069 4774 1 9 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.073 0.896 25069 4775 1 9 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.701 -0.308 25069 4776 1 9 . 1 1 36 36 GLU H H 36 7.619 7.619 8.230 -0.611 25069 4777 1 9 . 1 1 37 37 LEU N N 37 120.058 120.058 121.148 -1.090 25069 4778 1 9 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.751 -0.326 25069 4779 1 9 . 1 1 37 37 LEU C C 37 179.412 179.412 178.210 1.202 25069 4780 1 9 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.528 1.909 25069 4781 1 9 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.619 0.185 25069 4782 1 9 . 1 1 37 37 LEU H H 37 7.762 7.762 7.869 -0.107 25069 4783 1 9 . 1 1 38 38 LEU N N 38 116.987 116.987 119.781 -2.794 25069 4784 1 9 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.083 -0.418 25069 4785 1 9 . 1 1 38 38 LEU C C 38 178.279 178.279 179.619 -1.340 25069 4786 1 9 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.489 0.189 25069 4787 1 9 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.983 1.331 25069 4788 1 9 . 1 1 38 38 LEU H H 38 8.532 8.532 8.464 0.068 25069 4789 1 9 . 1 1 39 39 THR N N 39 108.650 108.650 110.480 -1.830 25069 4790 1 9 . 1 1 39 39 THR HA H 39 3.693 3.693 4.009 -0.316 25069 4791 1 9 . 1 1 39 39 THR C C 39 176.231 176.231 176.912 -0.681 25069 4792 1 9 . 1 1 39 39 THR CA C 39 65.997 65.997 65.897 0.100 25069 4793 1 9 . 1 1 39 39 THR CB C 39 69.618 69.618 68.797 0.820 25069 4794 1 9 . 1 1 39 39 THR H H 39 7.883 7.883 8.670 -0.787 25069 4795 1 9 . 1 1 40 40 ARG N N 40 115.482 115.482 119.632 -4.150 25069 4796 1 9 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.330 -0.178 25069 4797 1 9 . 1 1 40 40 ARG C C 40 178.520 178.520 178.412 0.108 25069 4798 1 9 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.266 -0.230 25069 4799 1 9 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.834 0.411 25069 4800 1 9 . 1 1 40 40 ARG H H 40 8.015 8.015 7.813 0.202 25069 4801 1 9 . 1 1 41 41 GLU N N 41 112.106 112.106 117.025 -4.919 25069 4802 1 9 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.433 0.401 25069 4803 1 9 . 1 1 41 41 GLU C C 41 177.856 177.856 177.297 0.559 25069 4804 1 9 . 1 1 41 41 GLU CA C 41 55.198 55.198 57.049 -1.851 25069 4805 1 9 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.621 -0.300 25069 4806 1 9 . 1 1 41 41 GLU H H 41 8.463 8.463 8.493 -0.030 25069 4807 1 9 . 1 1 42 42 LEU N N 42 119.287 119.287 120.596 -1.309 25069 4808 1 9 . 1 1 42 42 LEU HA H 42 5.052 5.052 5.213 -0.161 25069 4809 1 9 . 1 1 42 42 LEU C C 42 174.457 174.457 174.753 -0.296 25069 4810 1 9 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.644 0.194 25069 4811 1 9 . 1 1 42 42 LEU CB C 42 44.083 44.083 41.806 2.276 25069 4812 1 9 . 1 1 42 42 LEU H H 42 7.688 7.688 7.792 -0.104 25069 4813 1 9 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.370 -0.166 25069 4814 1 9 . 1 1 43 43 PRO C C 43 179.969 179.969 178.448 1.521 25069 4815 1 9 . 1 1 43 43 PRO CA C 43 65.689 65.689 66.089 -0.400 25069 4816 1 9 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.845 -1.018 25069 4817 1 9 . 1 1 44 44 SER N N 44 114.352 114.352 113.358 0.994 25069 4818 1 9 . 1 1 44 44 SER HA H 44 4.093 4.093 4.122 -0.029 25069 4819 1 9 . 1 1 44 44 SER C C 44 175.709 175.709 176.418 -0.709 25069 4820 1 9 . 1 1 44 44 SER CA C 44 60.793 60.793 61.192 -0.399 25069 4821 1 9 . 1 1 44 44 SER CB C 44 62.400 62.400 62.237 0.163 25069 4822 1 9 . 1 1 44 44 SER H H 44 8.674 8.674 8.407 0.267 25069 4823 1 9 . 1 1 45 45 PHE N N 45 121.558 121.558 119.989 1.569 25069 4824 1 9 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.321 -0.169 25069 4825 1 9 . 1 1 45 45 PHE C C 45 176.441 176.441 177.724 -1.283 25069 4826 1 9 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.903 -0.569 25069 4827 1 9 . 1 1 45 45 PHE CB C 45 39.789 39.789 38.890 0.899 25069 4828 1 9 . 1 1 45 45 PHE H H 45 7.952 7.952 8.082 -0.130 25069 4829 1 9 . 1 1 46 46 LEU N N 46 117.590 117.590 116.220 1.370 25069 4830 1 9 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.453 -0.617 25069 4831 1 9 . 1 1 46 46 LEU C C 46 178.236 178.236 179.346 -1.110 25069 4832 1 9 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.739 1.405 25069 4833 1 9 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.746 0.770 25069 4834 1 9 . 1 1 46 46 LEU H H 46 7.906 7.906 8.159 -0.253 25069 4835 1 9 . 1 1 47 47 GLY N N 47 104.817 104.817 109.842 -5.025 25069 4836 1 9 . 1 1 47 47 GLY C C 47 174.665 174.665 175.875 -1.210 25069 4837 1 9 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.813 -0.828 25069 4838 1 9 . 1 1 47 47 GLY H H 47 7.646 7.646 7.627 0.019 25069 4839 1 9 . 1 1 48 48 LYS N N 48 120.422 120.422 119.129 1.293 25069 4840 1 9 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.223 -0.071 25069 4841 1 9 . 1 1 48 48 LYS C C 48 177.029 177.029 177.243 -0.214 25069 4842 1 9 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.987 -0.507 25069 4843 1 9 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.817 -0.565 25069 4844 1 9 . 1 1 48 48 LYS H H 48 8.400 8.400 7.512 0.888 25069 4845 1 9 . 1 1 49 49 ARG N N 49 119.815 119.815 119.960 -0.145 25069 4846 1 9 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.446 -0.143 25069 4847 1 9 . 1 1 49 49 ARG C C 49 175.183 175.183 174.142 1.041 25069 4848 1 9 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.532 0.167 25069 4849 1 9 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.085 -1.578 25069 4850 1 9 . 1 1 49 49 ARG H H 49 7.801 7.801 7.665 0.136 25069 4851 1 9 . 1 1 50 50 THR N N 50 110.525 110.525 114.163 -3.638 25069 4852 1 9 . 1 1 50 50 THR HA H 50 4.091 4.091 4.246 -0.155 25069 4853 1 9 . 1 1 50 50 THR C C 50 174.108 174.108 173.845 0.263 25069 4854 1 9 . 1 1 50 50 THR CA C 50 61.579 61.579 61.161 0.418 25069 4855 1 9 . 1 1 50 50 THR CB C 50 69.136 69.136 69.757 -0.621 25069 4856 1 9 . 1 1 50 50 THR H H 50 7.808 7.808 7.905 -0.097 25069 4857 1 9 . 1 1 51 51 ASP N N 51 121.073 121.073 124.339 -3.266 25069 4858 1 9 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.676 -0.116 25069 4859 1 9 . 1 1 51 51 ASP C C 51 175.715 175.715 176.108 -0.393 25069 4860 1 9 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.592 -0.537 25069 4861 1 9 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.700 -0.889 25069 4862 1 9 . 1 1 51 51 ASP H H 51 7.924 7.924 7.737 0.187 25069 4863 1 9 . 1 1 52 52 GLU N N 52 120.418 120.418 123.406 -2.988 25069 4864 1 9 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.240 -0.198 25069 4865 1 9 . 1 1 52 52 GLU C C 52 178.726 178.726 178.038 0.688 25069 4866 1 9 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.383 -0.823 25069 4867 1 9 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.739 -0.355 25069 4868 1 9 . 1 1 52 52 GLU H H 52 8.515 8.515 9.092 -0.577 25069 4869 1 9 . 1 1 53 53 ALA N N 53 120.807 120.807 121.314 -0.507 25069 4870 1 9 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.135 -0.099 25069 4871 1 9 . 1 1 53 53 ALA C C 53 180.416 180.416 179.226 1.190 25069 4872 1 9 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.985 0.156 25069 4873 1 9 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.070 -0.126 25069 4874 1 9 . 1 1 53 53 ALA H H 53 8.242 8.242 8.160 0.082 25069 4875 1 9 . 1 1 54 54 ALA N N 54 121.069 121.069 122.078 -1.009 25069 4876 1 9 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.048 -0.121 25069 4877 1 9 . 1 1 54 54 ALA C C 54 180.846 180.846 179.591 1.255 25069 4878 1 9 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.745 0.232 25069 4879 1 9 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.119 0.218 25069 4880 1 9 . 1 1 54 54 ALA H H 54 7.874 7.874 7.706 0.168 25069 4881 1 9 . 1 1 55 55 PHE N N 55 118.066 118.066 118.341 -0.275 25069 4882 1 9 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.118 -0.151 25069 4883 1 9 . 1 1 55 55 PHE C C 55 177.160 177.160 177.952 -0.792 25069 4884 1 9 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.913 0.116 25069 4885 1 9 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.460 0.372 25069 4886 1 9 . 1 1 55 55 PHE H H 55 8.013 8.013 8.656 -0.643 25069 4887 1 9 . 1 1 56 56 GLN N N 56 118.474 118.474 120.505 -2.031 25069 4888 1 9 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.992 -0.252 25069 4889 1 9 . 1 1 56 56 GLN C C 56 178.531 178.531 177.970 0.561 25069 4890 1 9 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.047 -0.215 25069 4891 1 9 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.046 -0.192 25069 4892 1 9 . 1 1 56 56 GLN H H 56 8.265 8.265 8.549 -0.284 25069 4893 1 9 . 1 1 57 57 LYS N N 57 119.207 119.207 120.763 -1.556 25069 4894 1 9 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.105 -0.252 25069 4895 1 9 . 1 1 57 57 LYS C C 57 178.458 178.458 179.604 -1.146 25069 4896 1 9 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.013 0.064 25069 4897 1 9 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.041 0.093 25069 4898 1 9 . 1 1 57 57 LYS H H 57 7.622 7.622 8.200 -0.578 25069 4899 1 9 . 1 1 58 58 LEU N N 58 119.398 119.398 121.703 -2.305 25069 4900 1 9 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.895 0.010 25069 4901 1 9 . 1 1 58 58 LEU C C 58 178.444 178.444 178.108 0.336 25069 4902 1 9 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.855 0.266 25069 4903 1 9 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.668 -0.014 25069 4904 1 9 . 1 1 58 58 LEU H H 58 7.504 7.504 8.395 -0.891 25069 4905 1 9 . 1 1 59 59 MET N N 59 116.434 116.434 119.363 -2.929 25069 4906 1 9 . 1 1 59 59 MET HA H 59 3.614 3.614 3.855 -0.241 25069 4907 1 9 . 1 1 59 59 MET C C 59 177.513 177.513 177.787 -0.274 25069 4908 1 9 . 1 1 59 59 MET CA C 59 58.765 58.765 60.017 -1.252 25069 4909 1 9 . 1 1 59 59 MET CB C 59 31.060 31.060 32.447 -1.387 25069 4910 1 9 . 1 1 59 59 MET H H 59 8.049 8.049 8.649 -0.600 25069 4911 1 9 . 1 1 60 60 SER N N 60 111.447 111.447 114.382 -2.935 25069 4912 1 9 . 1 1 60 60 SER HA H 60 4.066 4.066 4.151 -0.085 25069 4913 1 9 . 1 1 60 60 SER C C 60 175.986 175.986 177.138 -1.152 25069 4914 1 9 . 1 1 60 60 SER CA C 60 61.416 61.416 61.039 0.377 25069 4915 1 9 . 1 1 60 60 SER CB C 60 62.945 62.945 62.269 0.676 25069 4916 1 9 . 1 1 60 60 SER H H 60 7.839 7.839 8.207 -0.368 25069 4917 1 9 . 1 1 61 61 ASN N N 61 117.559 117.559 121.460 -3.901 25069 4918 1 9 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.537 -0.187 25069 4919 1 9 . 1 1 61 61 ASN C C 61 176.377 176.377 176.878 -0.501 25069 4920 1 9 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.731 -0.728 25069 4921 1 9 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.383 0.490 25069 4922 1 9 . 1 1 61 61 ASN H H 61 7.615 7.615 7.925 -0.310 25069 4923 1 9 . 1 1 62 62 LEU N N 62 117.926 117.926 117.024 0.902 25069 4924 1 9 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.257 -0.229 25069 4925 1 9 . 1 1 62 62 LEU C C 62 178.394 178.394 178.098 0.296 25069 4926 1 9 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.501 0.497 25069 4927 1 9 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.197 1.204 25069 4928 1 9 . 1 1 62 62 LEU H H 62 7.719 7.719 8.021 -0.302 25069 4929 1 9 . 1 1 63 63 ASP N N 63 115.899 115.899 119.450 -3.551 25069 4930 1 9 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.613 -0.045 25069 4931 1 9 . 1 1 63 63 ASP C C 63 176.866 176.866 176.225 0.641 25069 4932 1 9 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.137 -1.397 25069 4933 1 9 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.828 -0.342 25069 4934 1 9 . 1 1 63 63 ASP H H 63 7.707 7.707 8.406 -0.699 25069 4935 1 9 . 1 1 64 64 SER N N 64 121.158 121.158 119.886 1.272 25069 4936 1 9 . 1 1 64 64 SER HA H 64 4.080 4.080 4.349 -0.269 25069 4937 1 9 . 1 1 64 64 SER C C 64 175.780 175.780 175.526 0.254 25069 4938 1 9 . 1 1 64 64 SER CA C 64 60.698 60.698 59.702 0.996 25069 4939 1 9 . 1 1 64 64 SER CB C 64 63.034 63.034 63.377 -0.343 25069 4940 1 9 . 1 1 64 64 SER H H 64 8.034 8.034 8.636 -0.602 25069 4941 1 9 . 1 1 65 65 ASN N N 65 115.443 115.443 117.487 -2.044 25069 4942 1 9 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.575 0.089 25069 4943 1 9 . 1 1 65 65 ASN C C 65 174.775 174.775 175.018 -0.243 25069 4944 1 9 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.553 -1.554 25069 4945 1 9 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.570 -1.399 25069 4946 1 9 . 1 1 65 65 ASN H H 65 8.055 8.055 8.035 0.020 25069 4947 1 9 . 1 1 66 66 ARG N N 66 114.242 114.242 118.089 -3.847 25069 4948 1 9 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.485 -0.558 25069 4949 1 9 . 1 1 66 66 ARG C C 66 175.354 175.354 175.442 -0.088 25069 4950 1 9 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.198 -0.039 25069 4951 1 9 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.206 -0.353 25069 4952 1 9 . 1 1 66 66 ARG H H 66 7.560 7.560 7.834 -0.274 25069 4953 1 9 . 1 1 67 67 ASP N N 67 118.260 118.260 119.884 -1.624 25069 4954 1 9 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.815 -0.213 25069 4955 1 9 . 1 1 67 67 ASP C C 67 177.143 177.143 176.335 0.808 25069 4956 1 9 . 1 1 67 67 ASP CA C 67 53.019 53.019 54.085 -1.066 25069 4957 1 9 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.869 -1.165 25069 4958 1 9 . 1 1 67 67 ASP H H 67 8.406 8.406 8.601 -0.195 25069 4959 1 9 . 1 1 68 68 ASN N N 68 115.091 115.091 115.700 -0.609 25069 4960 1 9 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.338 -0.359 25069 4961 1 9 . 1 1 68 68 ASN C C 68 173.046 173.046 173.124 -0.078 25069 4962 1 9 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.416 0.922 25069 4963 1 9 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.643 0.247 25069 4964 1 9 . 1 1 68 68 ASN H H 68 10.021 10.021 8.930 1.091 25069 4965 1 9 . 1 1 69 69 GLU N N 69 115.671 115.671 116.503 -0.832 25069 4966 1 9 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.992 -0.294 25069 4967 1 9 . 1 1 69 69 GLU C C 69 175.335 175.335 175.468 -0.133 25069 4968 1 9 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.973 -0.102 25069 4969 1 9 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.195 2.438 25069 4970 1 9 . 1 1 69 69 GLU H H 69 7.724 7.724 8.065 -0.341 25069 4971 1 9 . 1 1 70 70 VAL N N 70 124.606 124.606 125.689 -1.083 25069 4972 1 9 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.120 1.015 25069 4973 1 9 . 1 1 70 70 VAL C C 70 175.876 175.876 175.659 0.217 25069 4974 1 9 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.825 -1.683 25069 4975 1 9 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.974 0.583 25069 4976 1 9 . 1 1 70 70 VAL H H 70 9.814 9.814 8.577 1.237 25069 4977 1 9 . 1 1 71 71 ASP N N 71 127.612 127.612 126.522 1.090 25069 4978 1 9 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.338 -0.313 25069 4979 1 9 . 1 1 71 71 ASP C C 71 175.018 175.018 177.146 -2.128 25069 4980 1 9 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.644 -0.083 25069 4981 1 9 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.650 -0.671 25069 4982 1 9 . 1 1 71 71 ASP H H 71 8.896 8.896 8.232 0.664 25069 4983 1 9 . 1 1 72 72 PHE N N 72 117.738 117.738 118.412 -0.674 25069 4984 1 9 . 1 1 72 72 PHE C C 72 177.390 177.390 177.776 -0.386 25069 4985 1 9 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.886 0.140 25069 4986 1 9 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.443 0.785 25069 4987 1 9 . 1 1 72 72 PHE H H 72 8.993 8.993 7.889 1.104 25069 4988 1 9 . 1 1 73 73 GLN N N 73 120.479 120.479 118.522 1.957 25069 4989 1 9 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.899 -0.095 25069 4990 1 9 . 1 1 73 73 GLN C C 73 178.583 178.583 177.731 0.852 25069 4991 1 9 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.673 0.387 25069 4992 1 9 . 1 1 73 73 GLN CB C 73 27.828 27.828 27.929 -0.101 25069 4993 1 9 . 1 1 73 73 GLN H H 73 8.246 8.246 9.188 -0.942 25069 4994 1 9 . 1 1 74 74 GLU N N 74 120.179 120.179 119.685 0.494 25069 4995 1 9 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.124 -0.280 25069 4996 1 9 . 1 1 74 74 GLU C C 74 180.584 180.584 179.031 1.553 25069 4997 1 9 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.057 -0.044 25069 4998 1 9 . 1 1 74 74 GLU CB C 74 30.406 30.406 28.812 1.594 25069 4999 1 9 . 1 1 74 74 GLU H H 74 8.782 8.782 8.067 0.715 25069 5000 1 9 . 1 1 75 75 TYR N N 75 122.109 122.109 122.195 -0.086 25069 5001 1 9 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.436 -0.424 25069 5002 1 9 . 1 1 75 75 TYR C C 75 175.383 175.383 177.471 -2.088 25069 5003 1 9 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.234 -1.011 25069 5004 1 9 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.585 0.205 25069 5005 1 9 . 1 1 75 75 TYR H H 75 8.619 8.619 8.672 -0.053 25069 5006 1 9 . 1 1 76 76 SER N N 76 117.790 117.790 116.606 1.184 25069 5007 1 9 . 1 1 76 76 SER HA H 76 3.326 3.326 4.005 -0.679 25069 5008 1 9 . 1 1 76 76 SER C C 76 176.930 176.930 176.631 0.299 25069 5009 1 9 . 1 1 76 76 SER CA C 76 62.377 62.377 62.655 -0.278 25069 5010 1 9 . 1 1 76 76 SER CB C 76 62.573 62.573 62.741 -0.168 25069 5011 1 9 . 1 1 76 76 SER H H 76 8.654 8.654 8.341 0.313 25069 5012 1 9 . 1 1 77 77 VAL N N 77 123.033 123.033 123.218 -0.185 25069 5013 1 9 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.816 -0.237 25069 5014 1 9 . 1 1 77 77 VAL C C 77 178.969 178.969 177.844 1.125 25069 5015 1 9 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.130 -0.034 25069 5016 1 9 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.734 0.243 25069 5017 1 9 . 1 1 77 77 VAL H H 77 7.844 7.844 8.505 -0.661 25069 5018 1 9 . 1 1 78 78 PHE N N 78 121.473 121.473 121.770 -0.297 25069 5019 1 9 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.156 0.192 25069 5020 1 9 . 1 1 78 78 PHE C C 78 177.726 177.726 176.742 0.984 25069 5021 1 9 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.664 -1.335 25069 5022 1 9 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.747 -0.203 25069 5023 1 9 . 1 1 78 78 PHE H H 78 7.439 7.439 7.776 -0.337 25069 5024 1 9 . 1 1 79 79 LEU N N 79 118.574 118.574 117.704 0.870 25069 5025 1 9 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.129 0.101 25069 5026 1 9 . 1 1 79 79 LEU C C 79 178.837 178.837 178.897 -0.060 25069 5027 1 9 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.850 -0.120 25069 5028 1 9 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.904 -0.452 25069 5029 1 9 . 1 1 79 79 LEU H H 79 8.298 8.298 8.186 0.112 25069 5030 1 9 . 1 1 80 80 SER N N 80 112.827 112.827 114.512 -1.685 25069 5031 1 9 . 1 1 80 80 SER HA H 80 3.978 3.978 4.041 -0.063 25069 5032 1 9 . 1 1 80 80 SER C C 80 175.796 175.796 176.883 -1.087 25069 5033 1 9 . 1 1 80 80 SER CA C 80 62.278 62.278 61.799 0.479 25069 5034 1 9 . 1 1 80 80 SER CB C 80 63.148 63.148 62.581 0.567 25069 5035 1 9 . 1 1 80 80 SER H H 80 7.728 7.728 8.004 -0.276 25069 5036 1 9 . 1 1 81 81 SER N N 81 117.584 117.584 118.911 -1.327 25069 5037 1 9 . 1 1 81 81 SER HA H 81 4.151 4.151 4.166 -0.015 25069 5038 1 9 . 1 1 81 81 SER C C 81 176.761 176.761 176.535 0.226 25069 5039 1 9 . 1 1 81 81 SER CA C 81 61.673 61.673 61.755 -0.082 25069 5040 1 9 . 1 1 81 81 SER CB C 81 62.441 62.441 62.999 -0.558 25069 5041 1 9 . 1 1 81 81 SER H H 81 7.703 7.703 8.000 -0.297 25069 5042 1 9 . 1 1 82 82 ILE N N 82 122.194 122.194 121.428 0.766 25069 5043 1 9 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.548 0.100 25069 5044 1 9 . 1 1 82 82 ILE C C 82 178.743 178.743 177.435 1.308 25069 5045 1 9 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.393 -1.244 25069 5046 1 9 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.426 -0.701 25069 5047 1 9 . 1 1 82 82 ILE H H 82 7.490 7.490 8.299 -0.809 25069 5048 1 9 . 1 1 83 83 ALA N N 83 123.288 123.288 121.770 1.518 25069 5049 1 9 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.956 -0.142 25069 5050 1 9 . 1 1 83 83 ALA C C 83 179.019 179.019 179.909 -0.890 25069 5051 1 9 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.080 0.447 25069 5052 1 9 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.201 -0.552 25069 5053 1 9 . 1 1 83 83 ALA H H 83 8.190 8.190 7.754 0.436 25069 5054 1 9 . 1 1 84 84 MET N N 84 114.549 114.549 118.368 -3.819 25069 5055 1 9 . 1 1 84 84 MET HA H 84 4.660 4.660 3.942 0.718 25069 5056 1 9 . 1 1 84 84 MET C C 84 174.776 174.776 178.762 -3.986 25069 5057 1 9 . 1 1 84 84 MET CA C 84 58.603 58.603 59.646 -1.043 25069 5058 1 9 . 1 1 84 84 MET CB C 84 37.147 37.147 32.636 4.511 25069 5059 1 9 . 1 1 84 84 MET H H 84 8.060 8.060 8.436 -0.376 25069 5060 1 9 . 1 1 85 85 MET N N 85 114.638 114.638 118.064 -3.426 25069 5061 1 9 . 1 1 85 85 MET HA H 85 4.079 4.079 4.240 -0.161 25069 5062 1 9 . 1 1 85 85 MET C C 85 178.153 178.153 179.162 -1.009 25069 5063 1 9 . 1 1 85 85 MET CA C 85 58.444 58.444 57.280 1.164 25069 5064 1 9 . 1 1 85 85 MET CB C 85 32.523 32.523 30.883 1.640 25069 5065 1 9 . 1 1 85 85 MET H H 85 8.097 8.097 8.588 -0.491 25069 5066 1 9 . 1 1 86 86 SER N N 86 114.719 114.719 114.604 0.115 25069 5067 1 9 . 1 1 86 86 SER HA H 86 4.184 4.184 4.231 -0.047 25069 5068 1 9 . 1 1 86 86 SER C C 86 176.656 176.656 176.199 0.457 25069 5069 1 9 . 1 1 86 86 SER CA C 86 60.867 60.867 61.696 -0.829 25069 5070 1 9 . 1 1 86 86 SER CB C 86 63.250 63.250 63.148 0.102 25069 5071 1 9 . 1 1 86 86 SER H H 86 8.119 8.119 8.690 -0.571 25069 5072 1 9 . 1 1 87 87 ASN N N 87 119.754 119.754 118.582 1.172 25069 5073 1 9 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.818 -0.240 25069 5074 1 9 . 1 1 87 87 ASN C C 87 176.062 176.062 177.673 -1.611 25069 5075 1 9 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.843 0.333 25069 5076 1 9 . 1 1 87 87 ASN CB C 87 38.748 38.748 39.178 -0.430 25069 5077 1 9 . 1 1 87 87 ASN H H 87 8.328 8.328 7.760 0.568 25069 5078 1 9 . 1 1 88 88 GLU N N 88 117.928 117.928 121.067 -3.139 25069 5079 1 9 . 1 1 88 88 GLU HA H 88 3.739 3.739 3.950 -0.211 25069 5080 1 9 . 1 1 88 88 GLU C C 88 177.870 177.870 179.073 -1.203 25069 5081 1 9 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.216 -0.284 25069 5082 1 9 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.051 0.230 25069 5083 1 9 . 1 1 88 88 GLU H H 88 7.747 7.747 8.699 -0.952 25069 5084 1 9 . 1 1 89 89 PHE N N 89 116.133 116.133 117.802 -1.669 25069 5085 1 9 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.417 -0.248 25069 5086 1 9 . 1 1 89 89 PHE C C 89 176.404 176.404 178.003 -1.599 25069 5087 1 9 . 1 1 89 89 PHE CA C 89 59.056 59.056 60.347 -1.291 25069 5088 1 9 . 1 1 89 89 PHE CB C 89 38.842 38.842 38.886 -0.044 25069 5089 1 9 . 1 1 89 89 PHE H H 89 7.465 7.465 8.570 -1.105 25069 5090 1 9 . 1 1 90 90 PHE N N 90 119.130 119.130 120.646 -1.516 25069 5091 1 9 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.263 -0.208 25069 5092 1 9 . 1 1 90 90 PHE C C 90 176.420 176.420 176.493 -0.073 25069 5093 1 9 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.630 -0.860 25069 5094 1 9 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.185 0.128 25069 5095 1 9 . 1 1 90 90 PHE H H 90 7.537 7.537 7.597 -0.060 25069 5096 1 9 . 1 1 91 91 GLU N N 91 118.971 118.971 117.789 1.182 25069 5097 1 9 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.163 -0.423 25069 5098 1 9 . 1 1 91 91 GLU C C 91 176.491 176.491 177.454 -0.963 25069 5099 1 9 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.508 -0.277 25069 5100 1 9 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.317 -0.269 25069 5101 1 9 . 1 1 91 91 GLU H H 91 7.938 7.938 8.447 -0.509 25069 5102 1 9 . 1 1 92 92 GLY N N 92 105.912 105.912 105.438 0.474 25069 5103 1 9 . 1 1 92 92 GLY C C 92 173.288 173.288 173.857 -0.569 25069 5104 1 9 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.897 0.167 25069 5105 1 9 . 1 1 92 92 GLY H H 92 7.201 7.201 7.856 -0.655 25069 5106 1 9 . 1 1 93 93 PHE N N 93 118.877 118.877 119.864 -0.987 25069 5107 1 9 . 1 1 93 93 PHE C C 93 174.128 174.128 172.894 1.234 25069 5108 1 9 . 1 1 93 93 PHE CA C 93 56.209 56.209 55.825 0.383 25069 5109 1 9 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.145 -2.375 25069 5110 1 9 . 1 1 93 93 PHE H H 93 7.844 7.844 7.629 0.215 25069 5111 1 9 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.383 -0.177 25069 5112 1 9 . 1 1 94 94 PRO C C 94 176.669 176.669 175.208 1.461 25069 5113 1 9 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.040 0.661 25069 5114 1 9 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.262 1.574 25069 5115 1 9 . 1 1 95 95 ASP N N 95 118.031 118.031 122.568 -4.537 25069 5116 1 9 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.669 -0.262 25069 5117 1 9 . 1 1 95 95 ASP C C 95 176.139 176.139 177.427 -1.288 25069 5118 1 9 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.588 -0.107 25069 5119 1 9 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.621 -1.600 25069 5120 1 9 . 1 1 95 95 ASP H H 95 8.144 8.144 8.784 -0.640 25069 5121 1 9 . 1 1 96 96 LYS N N 96 119.472 119.472 118.737 0.735 25069 5122 1 9 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.245 -0.108 25069 5123 1 9 . 1 1 96 96 LYS C C 96 176.212 176.212 176.751 -0.539 25069 5124 1 9 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.223 -1.044 25069 5125 1 9 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.139 0.644 25069 5126 1 9 . 1 1 96 96 LYS H H 96 7.980 7.980 7.564 0.416 25069 5127 1 9 . 1 1 97 97 GLN N N 97 120.185 120.185 119.778 0.407 25069 5128 1 9 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.560 -0.139 25069 5129 1 9 . 1 1 97 97 GLN C C 97 173.700 173.700 175.049 -1.349 25069 5130 1 9 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.240 0.563 25069 5131 1 9 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.407 0.325 25069 5132 1 9 . 1 1 97 97 GLN H H 97 8.007 8.007 7.700 0.307 25069 5133 1 9 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.505 -0.262 25069 5134 1 9 . 1 1 98 98 PRO C C 98 176.605 176.605 177.789 -1.184 25069 5135 1 9 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.995 -0.981 25069 5136 1 9 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.993 -0.056 25069 5137 1 9 . 1 1 99 99 ARG N N 99 120.677 120.677 115.605 5.072 25069 5138 1 9 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.833 0.312 25069 5139 1 9 . 1 1 99 99 ARG C C 99 176.053 176.053 177.299 -1.246 25069 5140 1 9 . 1 1 99 99 ARG CA C 99 55.972 55.972 59.006 -3.034 25069 5141 1 9 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.228 2.666 25069 5142 1 9 . 1 1 99 99 ARG H H 99 8.254 8.254 8.447 -0.193 25069 5143 1 9 . 1 1 100 100 LYS N N 100 122.775 122.775 121.146 1.629 25069 5144 1 9 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.142 0.002 25069 5145 1 9 . 1 1 100 100 LYS C C 100 175.376 175.376 176.260 -0.884 25069 5146 1 9 . 1 1 100 100 LYS CA C 100 56.396 56.396 58.259 -1.863 25069 5147 1 9 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.983 0.306 25069 5148 1 9 . 1 1 100 100 LYS H H 100 8.230 8.230 7.844 0.386 25069 5149 1 10 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.437 -0.228 25069 5150 1 10 . 1 1 2 2 ALA C C 2 173.983 173.983 177.196 -3.213 25069 5151 1 10 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.689 -0.087 25069 5152 1 10 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.202 1.674 25069 5153 1 10 . 1 1 3 3 SER N N 3 121.630 121.630 115.595 6.035 25069 5154 1 10 . 1 1 3 3 SER C C 3 172.689 172.689 174.738 -2.049 25069 5155 1 10 . 1 1 3 3 SER CA C 3 56.943 56.943 57.688 -0.745 25069 5156 1 10 . 1 1 3 3 SER CB C 3 63.102 63.102 61.851 1.251 25069 5157 1 10 . 1 1 3 3 SER H H 3 9.907 9.907 7.785 2.122 25069 5158 1 10 . 1 1 4 4 PRO C C 4 179.695 179.695 177.370 2.325 25069 5159 1 10 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.279 0.455 25069 5160 1 10 . 1 1 4 4 PRO CB C 4 31.780 31.780 30.826 0.954 25069 5161 1 10 . 1 1 5 5 LEU N N 5 118.522 118.522 118.645 -0.123 25069 5162 1 10 . 1 1 5 5 LEU HA H 5 4.031 4.031 4.004 0.027 25069 5163 1 10 . 1 1 5 5 LEU C C 5 177.968 177.968 178.254 -0.286 25069 5164 1 10 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.859 -0.211 25069 5165 1 10 . 1 1 5 5 LEU CB C 5 42.635 42.635 42.119 0.516 25069 5166 1 10 . 1 1 5 5 LEU H H 5 8.277 8.277 8.327 -0.050 25069 5167 1 10 . 1 1 6 6 GLU N N 6 118.997 118.997 119.684 -0.687 25069 5168 1 10 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.010 -0.314 25069 5169 1 10 . 1 1 6 6 GLU C C 6 180.177 180.177 179.004 1.173 25069 5170 1 10 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.344 0.995 25069 5171 1 10 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.557 1.277 25069 5172 1 10 . 1 1 6 6 GLU H H 6 8.130 8.130 8.675 -0.545 25069 5173 1 10 . 1 1 7 7 LYS N N 7 117.838 117.838 119.060 -1.222 25069 5174 1 10 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.264 -0.268 25069 5175 1 10 . 1 1 7 7 LYS C C 7 178.764 178.764 178.692 0.072 25069 5176 1 10 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.680 1.676 25069 5177 1 10 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.682 0.477 25069 5178 1 10 . 1 1 7 7 LYS H H 7 8.341 8.341 8.405 -0.064 25069 5179 1 10 . 1 1 8 8 ALA N N 8 122.327 122.327 122.818 -0.491 25069 5180 1 10 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.163 -0.184 25069 5181 1 10 . 1 1 8 8 ALA C C 8 179.482 179.482 179.414 0.068 25069 5182 1 10 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.715 0.453 25069 5183 1 10 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.075 0.219 25069 5184 1 10 . 1 1 8 8 ALA H H 8 8.082 8.082 8.083 -0.001 25069 5185 1 10 . 1 1 9 9 LEU N N 9 118.212 118.212 118.306 -0.094 25069 5186 1 10 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.866 0.081 25069 5187 1 10 . 1 1 9 9 LEU C C 9 178.844 178.844 178.812 0.032 25069 5188 1 10 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.602 0.607 25069 5189 1 10 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.207 0.409 25069 5190 1 10 . 1 1 9 9 LEU H H 9 8.042 8.042 7.921 0.121 25069 5191 1 10 . 1 1 10 10 ASP N N 10 117.997 117.997 118.472 -0.475 25069 5192 1 10 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.419 -0.032 25069 5193 1 10 . 1 1 10 10 ASP C C 10 179.582 179.582 178.370 1.212 25069 5194 1 10 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.084 0.687 25069 5195 1 10 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.030 -0.036 25069 5196 1 10 . 1 1 10 10 ASP H H 10 7.587 7.587 7.646 -0.059 25069 5197 1 10 . 1 1 11 11 VAL N N 11 120.702 120.702 119.387 1.315 25069 5198 1 10 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.814 -0.077 25069 5199 1 10 . 1 1 11 11 VAL C C 11 180.061 180.061 177.570 2.491 25069 5200 1 10 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.948 0.196 25069 5201 1 10 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.179 0.447 25069 5202 1 10 . 1 1 11 11 VAL H H 11 8.099 8.099 7.807 0.292 25069 5203 1 10 . 1 1 12 12 MET N N 12 123.185 123.185 121.183 2.002 25069 5204 1 10 . 1 1 12 12 MET HA H 12 3.921 3.921 4.357 -0.436 25069 5205 1 10 . 1 1 12 12 MET C C 12 178.871 178.871 178.192 0.679 25069 5206 1 10 . 1 1 12 12 MET CA C 12 60.784 60.784 58.412 2.372 25069 5207 1 10 . 1 1 12 12 MET CB C 12 32.579 32.579 31.760 0.819 25069 5208 1 10 . 1 1 12 12 MET H H 12 8.454 8.454 7.972 0.482 25069 5209 1 10 . 1 1 13 13 VAL N N 13 118.900 118.900 119.578 -0.678 25069 5210 1 10 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.921 0.004 25069 5211 1 10 . 1 1 13 13 VAL C C 13 177.712 177.712 178.491 -0.779 25069 5212 1 10 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.892 -0.212 25069 5213 1 10 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.419 2.828 25069 5214 1 10 . 1 1 13 13 VAL H H 13 8.117 8.117 7.786 0.331 25069 5215 1 10 . 1 1 14 14 SER N N 14 114.675 114.675 114.663 0.012 25069 5216 1 10 . 1 1 14 14 SER HA H 14 3.966 3.966 4.188 -0.222 25069 5217 1 10 . 1 1 14 14 SER C C 14 178.306 178.306 176.716 1.590 25069 5218 1 10 . 1 1 14 14 SER CA C 14 61.937 61.937 61.497 0.440 25069 5219 1 10 . 1 1 14 14 SER CB C 14 62.474 62.474 62.860 -0.386 25069 5220 1 10 . 1 1 14 14 SER H H 14 8.935 8.935 7.787 1.148 25069 5221 1 10 . 1 1 15 15 THR N N 15 117.582 117.582 118.926 -1.344 25069 5222 1 10 . 1 1 15 15 THR HA H 15 4.190 4.190 4.009 0.181 25069 5223 1 10 . 1 1 15 15 THR C C 15 174.459 174.459 176.195 -1.736 25069 5224 1 10 . 1 1 15 15 THR CA C 15 67.683 67.683 66.845 0.838 25069 5225 1 10 . 1 1 15 15 THR CB C 15 68.187 68.187 68.529 -0.342 25069 5226 1 10 . 1 1 15 15 THR H H 15 8.543 8.543 8.214 0.329 25069 5227 1 10 . 1 1 16 16 PHE N N 16 118.606 118.606 122.318 -3.712 25069 5228 1 10 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.820 -0.451 25069 5229 1 10 . 1 1 16 16 PHE C C 16 176.480 176.480 176.624 -0.144 25069 5230 1 10 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.789 0.691 25069 5231 1 10 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.829 0.407 25069 5232 1 10 . 1 1 16 16 PHE H H 16 6.809 6.809 8.328 -1.519 25069 5233 1 10 . 1 1 17 17 HIS N N 17 114.536 114.536 117.636 -3.100 25069 5234 1 10 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.621 0.105 25069 5235 1 10 . 1 1 17 17 HIS C C 17 177.124 177.124 177.112 0.012 25069 5236 1 10 . 1 1 17 17 HIS CA C 17 57.727 57.727 56.910 0.817 25069 5237 1 10 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.259 0.889 25069 5238 1 10 . 1 1 17 17 HIS H H 17 6.955 6.955 8.124 -1.169 25069 5239 1 10 . 1 1 18 18 LYS N N 18 120.739 120.739 119.309 1.430 25069 5240 1 10 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.055 -0.337 25069 5241 1 10 . 1 1 18 18 LYS C C 18 177.006 177.006 177.810 -0.804 25069 5242 1 10 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.908 -0.040 25069 5243 1 10 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.240 -0.126 25069 5244 1 10 . 1 1 18 18 LYS H H 18 7.820 7.820 7.342 0.478 25069 5245 1 10 . 1 1 19 19 TYR N N 19 112.545 112.545 116.654 -4.109 25069 5246 1 10 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.286 -0.147 25069 5247 1 10 . 1 1 19 19 TYR C C 19 176.218 176.218 177.683 -1.465 25069 5248 1 10 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.748 -0.850 25069 5249 1 10 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.117 1.340 25069 5250 1 10 . 1 1 19 19 TYR H H 19 6.730 6.730 7.667 -0.937 25069 5251 1 10 . 1 1 20 20 SER N N 20 113.404 113.404 114.604 -1.200 25069 5252 1 10 . 1 1 20 20 SER HA H 20 3.385 3.385 4.184 -0.799 25069 5253 1 10 . 1 1 20 20 SER C C 20 176.961 176.961 176.299 0.662 25069 5254 1 10 . 1 1 20 20 SER CA C 20 61.866 61.866 60.319 1.547 25069 5255 1 10 . 1 1 20 20 SER CB C 20 60.904 60.904 63.047 -2.143 25069 5256 1 10 . 1 1 20 20 SER H H 20 8.493 8.493 8.281 0.212 25069 5257 1 10 . 1 1 21 21 GLY N N 21 109.001 109.001 108.405 0.596 25069 5258 1 10 . 1 1 21 21 GLY C C 21 173.502 173.502 174.529 -1.027 25069 5259 1 10 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.859 0.680 25069 5260 1 10 . 1 1 21 21 GLY H H 21 7.512 7.512 7.618 -0.106 25069 5261 1 10 . 1 1 22 22 LYS N N 22 120.754 120.754 117.874 2.880 25069 5262 1 10 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.353 -0.558 25069 5263 1 10 . 1 1 22 22 LYS C C 22 177.354 177.354 176.285 1.069 25069 5264 1 10 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.820 3.187 25069 5265 1 10 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.425 -0.441 25069 5266 1 10 . 1 1 22 22 LYS H H 22 6.958 6.958 7.379 -0.421 25069 5267 1 10 . 1 1 23 23 GLU N N 23 115.305 115.305 117.435 -2.130 25069 5268 1 10 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.445 0.013 25069 5269 1 10 . 1 1 23 23 GLU C C 23 176.733 176.733 175.681 1.052 25069 5270 1 10 . 1 1 23 23 GLU CA C 23 54.435 54.435 54.857 -0.422 25069 5271 1 10 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.846 2.507 25069 5272 1 10 . 1 1 23 23 GLU H H 23 9.425 9.425 8.051 1.374 25069 5273 1 10 . 1 1 24 24 GLY N N 24 112.542 112.542 110.679 1.863 25069 5274 1 10 . 1 1 24 24 GLY C C 24 173.486 173.486 173.576 -0.090 25069 5275 1 10 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.002 1.339 25069 5276 1 10 . 1 1 24 24 GLY H H 24 8.879 8.879 8.266 0.613 25069 5277 1 10 . 1 1 25 25 ASP N N 25 125.117 125.117 123.630 1.487 25069 5278 1 10 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.703 -0.420 25069 5279 1 10 . 1 1 25 25 ASP C C 25 179.177 179.177 177.326 1.851 25069 5280 1 10 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.540 1.574 25069 5281 1 10 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.410 -0.674 25069 5282 1 10 . 1 1 25 25 ASP H H 25 8.423 8.423 8.542 -0.119 25069 5283 1 10 . 1 1 26 26 LYS N N 26 131.175 131.175 125.966 5.209 25069 5284 1 10 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.165 0.031 25069 5285 1 10 . 1 1 26 26 LYS C C 26 176.638 176.638 176.407 0.231 25069 5286 1 10 . 1 1 26 26 LYS CA C 26 57.968 57.968 57.476 0.492 25069 5287 1 10 . 1 1 26 26 LYS CB C 26 31.223 31.223 31.993 -0.770 25069 5288 1 10 . 1 1 26 26 LYS H H 26 9.247 9.247 8.575 0.672 25069 5289 1 10 . 1 1 27 27 PHE N N 27 118.593 118.593 115.232 3.361 25069 5290 1 10 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.240 -0.541 25069 5291 1 10 . 1 1 27 27 PHE C C 27 173.452 173.452 174.637 -1.185 25069 5292 1 10 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.175 -1.143 25069 5293 1 10 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.412 -1.321 25069 5294 1 10 . 1 1 27 27 PHE H H 27 9.335 9.335 8.191 1.144 25069 5295 1 10 . 1 1 28 28 LYS N N 28 113.854 113.854 119.623 -5.769 25069 5296 1 10 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.197 -0.193 25069 5297 1 10 . 1 1 28 28 LYS C C 28 174.468 174.468 175.138 -0.670 25069 5298 1 10 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.282 0.005 25069 5299 1 10 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.087 1.931 25069 5300 1 10 . 1 1 28 28 LYS H H 28 6.985 6.985 7.435 -0.450 25069 5301 1 10 . 1 1 29 29 LEU N N 29 124.858 124.858 125.569 -0.711 25069 5302 1 10 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.387 0.626 25069 5303 1 10 . 1 1 29 29 LEU C C 29 175.791 175.791 176.276 -0.485 25069 5304 1 10 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.807 -1.208 25069 5305 1 10 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.674 1.883 25069 5306 1 10 . 1 1 29 29 LEU H H 29 9.454 9.454 9.087 0.367 25069 5307 1 10 . 1 1 30 30 ASN N N 30 122.896 122.896 122.307 0.589 25069 5308 1 10 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.007 -0.429 25069 5309 1 10 . 1 1 30 30 ASN C C 30 174.969 174.969 176.595 -1.626 25069 5310 1 10 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.335 -1.237 25069 5311 1 10 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.519 -2.161 25069 5312 1 10 . 1 1 30 30 ASN H H 30 9.560 9.560 8.120 1.440 25069 5313 1 10 . 1 1 31 31 LYS N N 31 115.136 115.136 121.067 -5.931 25069 5314 1 10 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.796 0.074 25069 5315 1 10 . 1 1 31 31 LYS C C 31 177.992 177.992 178.441 -0.449 25069 5316 1 10 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.777 0.258 25069 5317 1 10 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.849 0.356 25069 5318 1 10 . 1 1 31 31 LYS H H 31 8.204 8.204 8.712 -0.508 25069 5319 1 10 . 1 1 32 32 SER N N 32 113.755 113.755 114.424 -0.669 25069 5320 1 10 . 1 1 32 32 SER HA H 32 3.939 3.939 4.041 -0.102 25069 5321 1 10 . 1 1 32 32 SER C C 32 177.484 177.484 176.471 1.013 25069 5322 1 10 . 1 1 32 32 SER CA C 32 61.374 61.374 61.615 -0.241 25069 5323 1 10 . 1 1 32 32 SER CB C 32 62.733 62.733 62.785 -0.052 25069 5324 1 10 . 1 1 32 32 SER H H 32 7.575 7.575 8.228 -0.653 25069 5325 1 10 . 1 1 33 33 GLU N N 33 122.657 122.657 121.186 1.471 25069 5326 1 10 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.340 -0.427 25069 5327 1 10 . 1 1 33 33 GLU C C 33 178.560 178.560 179.086 -0.526 25069 5328 1 10 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.108 0.733 25069 5329 1 10 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.836 1.363 25069 5330 1 10 . 1 1 33 33 GLU H H 33 8.608 8.608 7.706 0.902 25069 5331 1 10 . 1 1 34 34 LEU N N 34 117.375 117.375 123.191 -5.816 25069 5332 1 10 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.780 0.025 25069 5333 1 10 . 1 1 34 34 LEU C C 34 177.693 177.693 177.871 -0.178 25069 5334 1 10 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.623 -0.847 25069 5335 1 10 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.730 -0.033 25069 5336 1 10 . 1 1 34 34 LEU H H 34 8.859 8.859 8.792 0.067 25069 5337 1 10 . 1 1 35 35 LYS N N 35 117.418 117.418 118.680 -1.262 25069 5338 1 10 . 1 1 35 35 LYS HA H 35 3.526 3.526 2.925 0.601 25069 5339 1 10 . 1 1 35 35 LYS C C 35 179.129 179.129 178.610 0.519 25069 5340 1 10 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.050 0.116 25069 5341 1 10 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.525 0.234 25069 5342 1 10 . 1 1 35 35 LYS H H 35 7.901 7.901 8.135 -0.234 25069 5343 1 10 . 1 1 36 36 GLU N N 36 120.491 120.491 119.497 0.994 25069 5344 1 10 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.030 -0.311 25069 5345 1 10 . 1 1 36 36 GLU C C 36 176.354 176.354 179.243 -2.889 25069 5346 1 10 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.142 0.827 25069 5347 1 10 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.725 -0.332 25069 5348 1 10 . 1 1 36 36 GLU H H 36 7.619 7.619 7.693 -0.074 25069 5349 1 10 . 1 1 37 37 LEU N N 37 120.058 120.058 120.838 -0.780 25069 5350 1 10 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.939 -0.514 25069 5351 1 10 . 1 1 37 37 LEU C C 37 179.412 179.412 178.684 0.728 25069 5352 1 10 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.528 1.909 25069 5353 1 10 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.573 0.231 25069 5354 1 10 . 1 1 37 37 LEU H H 37 7.762 7.762 8.109 -0.347 25069 5355 1 10 . 1 1 38 38 LEU N N 38 116.987 116.987 119.637 -2.650 25069 5356 1 10 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.117 -0.452 25069 5357 1 10 . 1 1 38 38 LEU C C 38 178.279 178.279 179.541 -1.262 25069 5358 1 10 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.403 0.276 25069 5359 1 10 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.010 1.304 25069 5360 1 10 . 1 1 38 38 LEU H H 38 8.532 8.532 8.450 0.082 25069 5361 1 10 . 1 1 39 39 THR N N 39 108.650 108.650 111.077 -2.427 25069 5362 1 10 . 1 1 39 39 THR HA H 39 3.693 3.693 3.984 -0.291 25069 5363 1 10 . 1 1 39 39 THR C C 39 176.231 176.231 176.866 -0.635 25069 5364 1 10 . 1 1 39 39 THR CA C 39 65.997 65.997 65.951 0.046 25069 5365 1 10 . 1 1 39 39 THR CB C 39 69.618 69.618 68.857 0.761 25069 5366 1 10 . 1 1 39 39 THR H H 39 7.883 7.883 8.701 -0.818 25069 5367 1 10 . 1 1 40 40 ARG N N 40 115.482 115.482 119.650 -4.168 25069 5368 1 10 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.318 -0.166 25069 5369 1 10 . 1 1 40 40 ARG C C 40 178.520 178.520 178.416 0.104 25069 5370 1 10 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.209 -0.174 25069 5371 1 10 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.863 0.382 25069 5372 1 10 . 1 1 40 40 ARG H H 40 8.015 8.015 8.021 -0.006 25069 5373 1 10 . 1 1 41 41 GLU N N 41 112.106 112.106 116.266 -4.160 25069 5374 1 10 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.386 0.448 25069 5375 1 10 . 1 1 41 41 GLU C C 41 177.856 177.856 176.598 1.258 25069 5376 1 10 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.533 -1.335 25069 5377 1 10 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.451 -0.130 25069 5378 1 10 . 1 1 41 41 GLU H H 41 8.463 8.463 8.330 0.133 25069 5379 1 10 . 1 1 42 42 LEU N N 42 119.287 119.287 120.978 -1.691 25069 5380 1 10 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.940 0.112 25069 5381 1 10 . 1 1 42 42 LEU C C 42 174.457 174.457 174.544 -0.087 25069 5382 1 10 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.557 0.281 25069 5383 1 10 . 1 1 42 42 LEU CB C 42 44.083 44.083 41.973 2.110 25069 5384 1 10 . 1 1 42 42 LEU H H 42 7.688 7.688 7.601 0.087 25069 5385 1 10 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.407 -0.203 25069 5386 1 10 . 1 1 43 43 PRO C C 43 179.969 179.969 179.035 0.934 25069 5387 1 10 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.843 -0.154 25069 5388 1 10 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.968 -1.141 25069 5389 1 10 . 1 1 44 44 SER N N 44 114.352 114.352 113.662 0.690 25069 5390 1 10 . 1 1 44 44 SER HA H 44 4.093 4.093 4.268 -0.175 25069 5391 1 10 . 1 1 44 44 SER C C 44 175.709 175.709 176.406 -0.697 25069 5392 1 10 . 1 1 44 44 SER CA C 44 60.793 60.793 60.989 -0.196 25069 5393 1 10 . 1 1 44 44 SER CB C 44 62.400 62.400 62.755 -0.354 25069 5394 1 10 . 1 1 44 44 SER H H 44 8.674 8.674 8.329 0.345 25069 5395 1 10 . 1 1 45 45 PHE N N 45 121.558 121.558 119.928 1.630 25069 5396 1 10 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.250 -0.098 25069 5397 1 10 . 1 1 45 45 PHE C C 45 176.441 176.441 176.932 -0.491 25069 5398 1 10 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.996 -0.662 25069 5399 1 10 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.228 0.561 25069 5400 1 10 . 1 1 45 45 PHE H H 45 7.952 7.952 8.154 -0.202 25069 5401 1 10 . 1 1 46 46 LEU N N 46 117.590 117.590 117.691 -0.101 25069 5402 1 10 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.365 -0.529 25069 5403 1 10 . 1 1 46 46 LEU C C 46 178.236 178.236 179.329 -1.093 25069 5404 1 10 . 1 1 46 46 LEU CA C 46 56.144 56.144 55.926 0.218 25069 5405 1 10 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.423 0.093 25069 5406 1 10 . 1 1 46 46 LEU H H 46 7.906 7.906 8.630 -0.724 25069 5407 1 10 . 1 1 47 47 GLY N N 47 104.817 104.817 108.146 -3.329 25069 5408 1 10 . 1 1 47 47 GLY C C 47 174.665 174.665 176.079 -1.414 25069 5409 1 10 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.979 -0.994 25069 5410 1 10 . 1 1 47 47 GLY H H 47 7.646 7.646 7.876 -0.230 25069 5411 1 10 . 1 1 48 48 LYS N N 48 120.422 120.422 119.532 0.890 25069 5412 1 10 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.192 -0.040 25069 5413 1 10 . 1 1 48 48 LYS C C 48 177.029 177.029 176.512 0.517 25069 5414 1 10 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.923 -0.444 25069 5415 1 10 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.675 -0.423 25069 5416 1 10 . 1 1 48 48 LYS H H 48 8.400 8.400 7.287 1.113 25069 5417 1 10 . 1 1 49 49 ARG N N 49 119.815 119.815 119.417 0.398 25069 5418 1 10 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.521 -0.218 25069 5419 1 10 . 1 1 49 49 ARG C C 49 175.183 175.183 174.228 0.955 25069 5420 1 10 . 1 1 49 49 ARG CA C 49 55.699 55.699 54.948 0.751 25069 5421 1 10 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.215 -1.708 25069 5422 1 10 . 1 1 49 49 ARG H H 49 7.801 7.801 7.719 0.082 25069 5423 1 10 . 1 1 50 50 THR N N 50 110.525 110.525 113.997 -3.472 25069 5424 1 10 . 1 1 50 50 THR HA H 50 4.091 4.091 4.111 -0.020 25069 5425 1 10 . 1 1 50 50 THR C C 50 174.108 174.108 173.842 0.266 25069 5426 1 10 . 1 1 50 50 THR CA C 50 61.579 61.579 61.729 -0.150 25069 5427 1 10 . 1 1 50 50 THR CB C 50 69.136 69.136 69.256 -0.120 25069 5428 1 10 . 1 1 50 50 THR H H 50 7.808 7.808 7.951 -0.143 25069 5429 1 10 . 1 1 51 51 ASP N N 51 121.073 121.073 125.030 -3.957 25069 5430 1 10 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.723 -0.163 25069 5431 1 10 . 1 1 51 51 ASP C C 51 175.715 175.715 176.182 -0.467 25069 5432 1 10 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.260 -0.206 25069 5433 1 10 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.163 -1.352 25069 5434 1 10 . 1 1 51 51 ASP H H 51 7.924 7.924 7.582 0.342 25069 5435 1 10 . 1 1 52 52 GLU N N 52 120.418 120.418 124.393 -3.975 25069 5436 1 10 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.216 -0.174 25069 5437 1 10 . 1 1 52 52 GLU C C 52 178.726 178.726 178.089 0.637 25069 5438 1 10 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.358 -0.798 25069 5439 1 10 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.754 -0.370 25069 5440 1 10 . 1 1 52 52 GLU H H 52 8.515 8.515 9.100 -0.585 25069 5441 1 10 . 1 1 53 53 ALA N N 53 120.807 120.807 120.818 -0.011 25069 5442 1 10 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.164 -0.128 25069 5443 1 10 . 1 1 53 53 ALA C C 53 180.416 180.416 179.161 1.255 25069 5444 1 10 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.888 0.253 25069 5445 1 10 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.116 -0.172 25069 5446 1 10 . 1 1 53 53 ALA H H 53 8.242 8.242 8.449 -0.207 25069 5447 1 10 . 1 1 54 54 ALA N N 54 121.069 121.069 122.548 -1.479 25069 5448 1 10 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.010 -0.083 25069 5449 1 10 . 1 1 54 54 ALA C C 54 180.846 180.846 179.561 1.285 25069 5450 1 10 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.794 0.183 25069 5451 1 10 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.096 0.241 25069 5452 1 10 . 1 1 54 54 ALA H H 54 7.874 7.874 7.606 0.268 25069 5453 1 10 . 1 1 55 55 PHE N N 55 118.066 118.066 118.120 -0.054 25069 5454 1 10 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.100 -0.133 25069 5455 1 10 . 1 1 55 55 PHE C C 55 177.160 177.160 178.043 -0.883 25069 5456 1 10 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.923 0.106 25069 5457 1 10 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.227 0.605 25069 5458 1 10 . 1 1 55 55 PHE H H 55 8.013 8.013 8.772 -0.759 25069 5459 1 10 . 1 1 56 56 GLN N N 56 118.474 118.474 120.015 -1.541 25069 5460 1 10 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.030 -0.290 25069 5461 1 10 . 1 1 56 56 GLN C C 56 178.531 178.531 178.113 0.418 25069 5462 1 10 . 1 1 56 56 GLN CA C 56 58.832 58.832 58.924 -0.092 25069 5463 1 10 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.021 -0.167 25069 5464 1 10 . 1 1 56 56 GLN H H 56 8.265 8.265 8.387 -0.122 25069 5465 1 10 . 1 1 57 57 LYS N N 57 119.207 119.207 120.960 -1.753 25069 5466 1 10 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.137 -0.284 25069 5467 1 10 . 1 1 57 57 LYS C C 57 178.458 178.458 179.635 -1.177 25069 5468 1 10 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.936 0.141 25069 5469 1 10 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.062 0.072 25069 5470 1 10 . 1 1 57 57 LYS H H 57 7.622 7.622 8.210 -0.588 25069 5471 1 10 . 1 1 58 58 LEU N N 58 119.398 119.398 122.153 -2.755 25069 5472 1 10 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.967 -0.062 25069 5473 1 10 . 1 1 58 58 LEU C C 58 178.444 178.444 178.151 0.293 25069 5474 1 10 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.957 0.164 25069 5475 1 10 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.735 -0.081 25069 5476 1 10 . 1 1 58 58 LEU H H 58 7.504 7.504 8.453 -0.949 25069 5477 1 10 . 1 1 59 59 MET N N 59 116.434 116.434 119.517 -3.083 25069 5478 1 10 . 1 1 59 59 MET HA H 59 3.614 3.614 3.882 -0.268 25069 5479 1 10 . 1 1 59 59 MET C C 59 177.513 177.513 177.902 -0.389 25069 5480 1 10 . 1 1 59 59 MET CA C 59 58.765 58.765 59.911 -1.146 25069 5481 1 10 . 1 1 59 59 MET CB C 59 31.060 31.060 32.382 -1.322 25069 5482 1 10 . 1 1 59 59 MET H H 59 8.049 8.049 8.707 -0.658 25069 5483 1 10 . 1 1 60 60 SER N N 60 111.447 111.447 114.214 -2.767 25069 5484 1 10 . 1 1 60 60 SER HA H 60 4.066 4.066 4.152 -0.086 25069 5485 1 10 . 1 1 60 60 SER C C 60 175.986 175.986 177.015 -1.029 25069 5486 1 10 . 1 1 60 60 SER CA C 60 61.416 61.416 61.060 0.356 25069 5487 1 10 . 1 1 60 60 SER CB C 60 62.945 62.945 62.338 0.607 25069 5488 1 10 . 1 1 60 60 SER H H 60 7.839 7.839 8.154 -0.315 25069 5489 1 10 . 1 1 61 61 ASN N N 61 117.559 117.559 120.898 -3.339 25069 5490 1 10 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.572 -0.222 25069 5491 1 10 . 1 1 61 61 ASN C C 61 176.377 176.377 176.848 -0.471 25069 5492 1 10 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.447 -0.444 25069 5493 1 10 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.506 0.367 25069 5494 1 10 . 1 1 61 61 ASN H H 61 7.615 7.615 7.732 -0.117 25069 5495 1 10 . 1 1 62 62 LEU N N 62 117.926 117.926 116.627 1.299 25069 5496 1 10 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.333 -0.305 25069 5497 1 10 . 1 1 62 62 LEU C C 62 178.394 178.394 177.664 0.730 25069 5498 1 10 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.334 0.663 25069 5499 1 10 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.222 1.180 25069 5500 1 10 . 1 1 62 62 LEU H H 62 7.719 7.719 8.064 -0.345 25069 5501 1 10 . 1 1 63 63 ASP N N 63 115.899 115.899 119.595 -3.696 25069 5502 1 10 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.819 -0.251 25069 5503 1 10 . 1 1 63 63 ASP C C 63 176.866 176.866 176.464 0.402 25069 5504 1 10 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.870 -1.130 25069 5505 1 10 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.845 -0.359 25069 5506 1 10 . 1 1 63 63 ASP H H 63 7.707 7.707 8.409 -0.702 25069 5507 1 10 . 1 1 64 64 SER N N 64 121.158 121.158 121.738 -0.580 25069 5508 1 10 . 1 1 64 64 SER HA H 64 4.080 4.080 4.364 -0.284 25069 5509 1 10 . 1 1 64 64 SER C C 64 175.780 175.780 175.460 0.320 25069 5510 1 10 . 1 1 64 64 SER CA C 64 60.698 60.698 60.255 0.443 25069 5511 1 10 . 1 1 64 64 SER CB C 64 63.034 63.034 63.388 -0.354 25069 5512 1 10 . 1 1 64 64 SER H H 64 8.034 8.034 8.614 -0.580 25069 5513 1 10 . 1 1 65 65 ASN N N 65 115.443 115.443 118.841 -3.398 25069 5514 1 10 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.593 0.071 25069 5515 1 10 . 1 1 65 65 ASN C C 65 174.775 174.775 175.520 -0.745 25069 5516 1 10 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.746 -1.747 25069 5517 1 10 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.612 -1.441 25069 5518 1 10 . 1 1 65 65 ASN H H 65 8.055 8.055 8.478 -0.423 25069 5519 1 10 . 1 1 66 66 ARG N N 66 114.242 114.242 116.214 -1.972 25069 5520 1 10 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.502 -0.575 25069 5521 1 10 . 1 1 66 66 ARG C C 66 175.354 175.354 175.346 0.008 25069 5522 1 10 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.301 -0.142 25069 5523 1 10 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.282 -0.428 25069 5524 1 10 . 1 1 66 66 ARG H H 66 7.560 7.560 8.238 -0.678 25069 5525 1 10 . 1 1 67 67 ASP N N 67 118.260 118.260 119.619 -1.359 25069 5526 1 10 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.768 -0.166 25069 5527 1 10 . 1 1 67 67 ASP C C 67 177.143 177.143 176.267 0.876 25069 5528 1 10 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.699 -0.680 25069 5529 1 10 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.540 -0.836 25069 5530 1 10 . 1 1 67 67 ASP H H 67 8.406 8.406 8.324 0.082 25069 5531 1 10 . 1 1 68 68 ASN N N 68 115.091 115.091 113.892 1.199 25069 5532 1 10 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.383 -0.404 25069 5533 1 10 . 1 1 68 68 ASN C C 68 173.046 173.046 173.217 -0.171 25069 5534 1 10 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.198 1.139 25069 5535 1 10 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.414 0.476 25069 5536 1 10 . 1 1 68 68 ASN H H 68 10.021 10.021 8.561 1.460 25069 5537 1 10 . 1 1 69 69 GLU N N 69 115.671 115.671 116.954 -1.283 25069 5538 1 10 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.011 -0.313 25069 5539 1 10 . 1 1 69 69 GLU C C 69 175.335 175.335 175.595 -0.260 25069 5540 1 10 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.787 0.084 25069 5541 1 10 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.115 2.518 25069 5542 1 10 . 1 1 69 69 GLU H H 69 7.724 7.724 7.776 -0.052 25069 5543 1 10 . 1 1 70 70 VAL N N 70 124.606 124.606 126.408 -1.802 25069 5544 1 10 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.295 0.840 25069 5545 1 10 . 1 1 70 70 VAL C C 70 175.876 175.876 176.070 -0.194 25069 5546 1 10 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.858 -1.716 25069 5547 1 10 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.590 0.967 25069 5548 1 10 . 1 1 70 70 VAL H H 70 9.814 9.814 8.825 0.989 25069 5549 1 10 . 1 1 71 71 ASP N N 71 127.612 127.612 128.181 -0.569 25069 5550 1 10 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.413 -0.388 25069 5551 1 10 . 1 1 71 71 ASP C C 71 175.018 175.018 177.812 -2.794 25069 5552 1 10 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.845 -0.284 25069 5553 1 10 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.517 -1.538 25069 5554 1 10 . 1 1 71 71 ASP H H 71 8.896 8.896 9.506 -0.610 25069 5555 1 10 . 1 1 72 72 PHE N N 72 117.738 117.738 119.183 -1.445 25069 5556 1 10 . 1 1 72 72 PHE C C 72 177.390 177.390 177.643 -0.253 25069 5557 1 10 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.258 0.769 25069 5558 1 10 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.311 0.917 25069 5559 1 10 . 1 1 72 72 PHE H H 72 8.993 8.993 8.152 0.841 25069 5560 1 10 . 1 1 73 73 GLN N N 73 120.479 120.479 119.809 0.670 25069 5561 1 10 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.837 -0.033 25069 5562 1 10 . 1 1 73 73 GLN C C 73 178.583 178.583 177.961 0.622 25069 5563 1 10 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.887 0.173 25069 5564 1 10 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.548 -0.720 25069 5565 1 10 . 1 1 73 73 GLN H H 73 8.246 8.246 8.371 -0.125 25069 5566 1 10 . 1 1 74 74 GLU N N 74 120.179 120.179 118.684 1.495 25069 5567 1 10 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.074 -0.230 25069 5568 1 10 . 1 1 74 74 GLU C C 74 180.584 180.584 179.216 1.368 25069 5569 1 10 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.421 -0.408 25069 5570 1 10 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.254 1.152 25069 5571 1 10 . 1 1 74 74 GLU H H 74 8.782 8.782 8.329 0.453 25069 5572 1 10 . 1 1 75 75 TYR N N 75 122.109 122.109 121.449 0.660 25069 5573 1 10 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.510 -0.498 25069 5574 1 10 . 1 1 75 75 TYR C C 75 175.383 175.383 177.473 -2.090 25069 5575 1 10 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.236 -0.013 25069 5576 1 10 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.864 -0.074 25069 5577 1 10 . 1 1 75 75 TYR H H 75 8.619 8.619 8.603 0.016 25069 5578 1 10 . 1 1 76 76 SER N N 76 117.790 117.790 115.755 2.035 25069 5579 1 10 . 1 1 76 76 SER HA H 76 3.326 3.326 4.037 -0.711 25069 5580 1 10 . 1 1 76 76 SER C C 76 176.930 176.930 176.613 0.317 25069 5581 1 10 . 1 1 76 76 SER CA C 76 62.377 62.377 61.449 0.928 25069 5582 1 10 . 1 1 76 76 SER CB C 76 62.573 62.573 62.818 -0.245 25069 5583 1 10 . 1 1 76 76 SER H H 76 8.654 8.654 8.444 0.210 25069 5584 1 10 . 1 1 77 77 VAL N N 77 123.033 123.033 123.201 -0.168 25069 5585 1 10 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.823 -0.244 25069 5586 1 10 . 1 1 77 77 VAL C C 77 178.969 178.969 177.844 1.125 25069 5587 1 10 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.461 -0.365 25069 5588 1 10 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.464 0.513 25069 5589 1 10 . 1 1 77 77 VAL H H 77 7.844 7.844 8.375 -0.531 25069 5590 1 10 . 1 1 78 78 PHE N N 78 121.473 121.473 121.172 0.301 25069 5591 1 10 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.124 0.224 25069 5592 1 10 . 1 1 78 78 PHE C C 78 177.726 177.726 176.834 0.892 25069 5593 1 10 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.888 -1.559 25069 5594 1 10 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.744 -0.200 25069 5595 1 10 . 1 1 78 78 PHE H H 78 7.439 7.439 7.644 -0.205 25069 5596 1 10 . 1 1 79 79 LEU N N 79 118.574 118.574 117.780 0.794 25069 5597 1 10 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.183 0.047 25069 5598 1 10 . 1 1 79 79 LEU C C 79 178.837 178.837 178.878 -0.041 25069 5599 1 10 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.580 0.150 25069 5600 1 10 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.985 -0.533 25069 5601 1 10 . 1 1 79 79 LEU H H 79 8.298 8.298 8.012 0.286 25069 5602 1 10 . 1 1 80 80 SER N N 80 112.827 112.827 115.320 -2.493 25069 5603 1 10 . 1 1 80 80 SER HA H 80 3.978 3.978 4.037 -0.059 25069 5604 1 10 . 1 1 80 80 SER C C 80 175.796 175.796 176.897 -1.101 25069 5605 1 10 . 1 1 80 80 SER CA C 80 62.278 62.278 61.802 0.476 25069 5606 1 10 . 1 1 80 80 SER CB C 80 63.148 63.148 62.517 0.631 25069 5607 1 10 . 1 1 80 80 SER H H 80 7.728 7.728 8.452 -0.724 25069 5608 1 10 . 1 1 81 81 SER N N 81 117.584 117.584 118.678 -1.094 25069 5609 1 10 . 1 1 81 81 SER HA H 81 4.151 4.151 4.154 -0.003 25069 5610 1 10 . 1 1 81 81 SER C C 81 176.761 176.761 176.672 0.089 25069 5611 1 10 . 1 1 81 81 SER CA C 81 61.673 61.673 61.415 0.258 25069 5612 1 10 . 1 1 81 81 SER CB C 81 62.441 62.441 62.819 -0.378 25069 5613 1 10 . 1 1 81 81 SER H H 81 7.703 7.703 8.045 -0.342 25069 5614 1 10 . 1 1 82 82 ILE N N 82 122.194 122.194 121.372 0.822 25069 5615 1 10 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.607 0.041 25069 5616 1 10 . 1 1 82 82 ILE C C 82 178.743 178.743 177.297 1.446 25069 5617 1 10 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.281 -1.131 25069 5618 1 10 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.329 -0.604 25069 5619 1 10 . 1 1 82 82 ILE H H 82 7.490 7.490 7.806 -0.316 25069 5620 1 10 . 1 1 83 83 ALA N N 83 123.288 123.288 122.026 1.262 25069 5621 1 10 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.952 -0.138 25069 5622 1 10 . 1 1 83 83 ALA C C 83 179.019 179.019 179.975 -0.956 25069 5623 1 10 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.054 0.473 25069 5624 1 10 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.270 -0.621 25069 5625 1 10 . 1 1 83 83 ALA H H 83 8.190 8.190 7.833 0.357 25069 5626 1 10 . 1 1 84 84 MET N N 84 114.549 114.549 117.524 -2.975 25069 5627 1 10 . 1 1 84 84 MET HA H 84 4.660 4.660 4.122 0.538 25069 5628 1 10 . 1 1 84 84 MET C C 84 174.776 174.776 178.323 -3.547 25069 5629 1 10 . 1 1 84 84 MET CA C 84 58.603 58.603 59.165 -0.562 25069 5630 1 10 . 1 1 84 84 MET CB C 84 37.147 37.147 32.815 4.332 25069 5631 1 10 . 1 1 84 84 MET H H 84 8.060 8.060 8.424 -0.364 25069 5632 1 10 . 1 1 85 85 MET N N 85 114.638 114.638 119.381 -4.743 25069 5633 1 10 . 1 1 85 85 MET HA H 85 4.079 4.079 4.294 -0.215 25069 5634 1 10 . 1 1 85 85 MET C C 85 178.153 178.153 178.543 -0.390 25069 5635 1 10 . 1 1 85 85 MET CA C 85 58.444 58.444 58.796 -0.352 25069 5636 1 10 . 1 1 85 85 MET CB C 85 32.523 32.523 31.684 0.838 25069 5637 1 10 . 1 1 85 85 MET H H 85 8.097 8.097 8.528 -0.431 25069 5638 1 10 . 1 1 86 86 SER N N 86 114.719 114.719 115.018 -0.299 25069 5639 1 10 . 1 1 86 86 SER HA H 86 4.184 4.184 4.278 -0.094 25069 5640 1 10 . 1 1 86 86 SER C C 86 176.656 176.656 176.770 -0.114 25069 5641 1 10 . 1 1 86 86 SER CA C 86 60.867 60.867 61.548 -0.681 25069 5642 1 10 . 1 1 86 86 SER CB C 86 63.250 63.250 62.808 0.442 25069 5643 1 10 . 1 1 86 86 SER H H 86 8.119 8.119 8.623 -0.504 25069 5644 1 10 . 1 1 87 87 ASN N N 87 119.754 119.754 120.651 -0.897 25069 5645 1 10 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.535 0.043 25069 5646 1 10 . 1 1 87 87 ASN C C 87 176.062 176.062 177.401 -1.339 25069 5647 1 10 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.409 -0.233 25069 5648 1 10 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.724 0.024 25069 5649 1 10 . 1 1 87 87 ASN H H 87 8.328 8.328 7.708 0.620 25069 5650 1 10 . 1 1 88 88 GLU N N 88 117.928 117.928 119.676 -1.748 25069 5651 1 10 . 1 1 88 88 GLU HA H 88 3.739 3.739 3.991 -0.252 25069 5652 1 10 . 1 1 88 88 GLU C C 88 177.870 177.870 179.094 -1.224 25069 5653 1 10 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.241 -0.309 25069 5654 1 10 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.542 -0.261 25069 5655 1 10 . 1 1 88 88 GLU H H 88 7.747 7.747 8.676 -0.929 25069 5656 1 10 . 1 1 89 89 PHE N N 89 116.133 116.133 119.783 -3.650 25069 5657 1 10 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.334 -0.165 25069 5658 1 10 . 1 1 89 89 PHE C C 89 176.404 176.404 176.657 -0.253 25069 5659 1 10 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.572 -0.516 25069 5660 1 10 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.470 -0.628 25069 5661 1 10 . 1 1 89 89 PHE H H 89 7.465 7.465 7.825 -0.360 25069 5662 1 10 . 1 1 90 90 PHE N N 90 119.130 119.130 120.207 -1.077 25069 5663 1 10 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.070 -0.015 25069 5664 1 10 . 1 1 90 90 PHE C C 90 176.420 176.420 176.498 -0.078 25069 5665 1 10 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.612 -0.842 25069 5666 1 10 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.277 0.036 25069 5667 1 10 . 1 1 90 90 PHE H H 90 7.537 7.537 7.399 0.138 25069 5668 1 10 . 1 1 91 91 GLU N N 91 118.971 118.971 117.549 1.422 25069 5669 1 10 . 1 1 91 91 GLU HA H 91 3.740 3.740 3.988 -0.248 25069 5670 1 10 . 1 1 91 91 GLU C C 91 176.491 176.491 177.595 -1.104 25069 5671 1 10 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.297 -0.066 25069 5672 1 10 . 1 1 91 91 GLU CB C 91 30.048 30.048 29.895 0.153 25069 5673 1 10 . 1 1 91 91 GLU H H 91 7.938 7.938 7.944 -0.006 25069 5674 1 10 . 1 1 92 92 GLY N N 92 105.912 105.912 106.418 -0.506 25069 5675 1 10 . 1 1 92 92 GLY C C 92 173.288 173.288 173.672 -0.384 25069 5676 1 10 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.996 0.068 25069 5677 1 10 . 1 1 92 92 GLY H H 92 7.201 7.201 7.627 -0.426 25069 5678 1 10 . 1 1 93 93 PHE N N 93 118.877 118.877 115.862 3.015 25069 5679 1 10 . 1 1 93 93 PHE C C 93 174.128 174.128 173.119 1.009 25069 5680 1 10 . 1 1 93 93 PHE CA C 93 56.209 56.209 53.823 2.386 25069 5681 1 10 . 1 1 93 93 PHE CB C 93 38.770 38.770 39.484 -0.714 25069 5682 1 10 . 1 1 93 93 PHE H H 93 7.844 7.844 7.380 0.464 25069 5683 1 10 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.415 -0.209 25069 5684 1 10 . 1 1 94 94 PRO C C 94 176.669 176.669 176.524 0.145 25069 5685 1 10 . 1 1 94 94 PRO CA C 94 63.701 63.701 62.950 0.751 25069 5686 1 10 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.645 1.191 25069 5687 1 10 . 1 1 95 95 ASP N N 95 118.031 118.031 121.805 -3.774 25069 5688 1 10 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.286 0.121 25069 5689 1 10 . 1 1 95 95 ASP C C 95 176.139 176.139 176.401 -0.262 25069 5690 1 10 . 1 1 95 95 ASP CA C 95 54.481 54.481 55.703 -1.222 25069 5691 1 10 . 1 1 95 95 ASP CB C 95 41.021 41.021 40.647 0.374 25069 5692 1 10 . 1 1 95 95 ASP H H 95 8.144 8.144 8.291 -0.147 25069 5693 1 10 . 1 1 96 96 LYS N N 96 119.472 119.472 117.003 2.469 25069 5694 1 10 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.242 -0.105 25069 5695 1 10 . 1 1 96 96 LYS C C 96 176.212 176.212 176.789 -0.577 25069 5696 1 10 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.518 -0.339 25069 5697 1 10 . 1 1 96 96 LYS CB C 96 32.783 32.783 31.905 0.878 25069 5698 1 10 . 1 1 96 96 LYS H H 96 7.980 7.980 8.143 -0.163 25069 5699 1 10 . 1 1 97 97 GLN N N 97 120.185 120.185 119.736 0.449 25069 5700 1 10 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.806 -0.385 25069 5701 1 10 . 1 1 97 97 GLN C C 97 173.700 173.700 174.660 -0.960 25069 5702 1 10 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.634 1.169 25069 5703 1 10 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.509 1.223 25069 5704 1 10 . 1 1 97 97 GLN H H 97 8.007 8.007 7.525 0.482 25069 5705 1 10 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.500 -0.257 25069 5706 1 10 . 1 1 98 98 PRO C C 98 176.605 176.605 176.772 -0.167 25069 5707 1 10 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.730 -0.716 25069 5708 1 10 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.716 0.221 25069 5709 1 10 . 1 1 99 99 ARG N N 99 120.677 120.677 114.830 5.847 25069 5710 1 10 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.037 0.108 25069 5711 1 10 . 1 1 99 99 ARG C C 99 176.053 176.053 175.467 0.586 25069 5712 1 10 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.333 -1.361 25069 5713 1 10 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.382 2.512 25069 5714 1 10 . 1 1 99 99 ARG H H 99 8.254 8.254 8.544 -0.290 25069 5715 1 10 . 1 1 100 100 LYS N N 100 122.775 122.775 114.838 7.937 25069 5716 1 10 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.334 -0.190 25069 5717 1 10 . 1 1 100 100 LYS C C 100 175.376 175.376 175.530 -0.154 25069 5718 1 10 . 1 1 100 100 LYS CA C 100 56.396 56.396 55.927 0.469 25069 5719 1 10 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.401 -0.112 25069 5720 1 10 . 1 1 100 100 LYS H H 100 8.230 8.230 7.990 0.240 25069 5721 1 11 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.528 -0.319 25069 5722 1 11 . 1 1 2 2 ALA C C 2 173.983 173.983 177.390 -3.407 25069 5723 1 11 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.305 0.297 25069 5724 1 11 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.299 2.577 25069 5725 1 11 . 1 1 3 3 SER N N 3 121.630 121.630 120.482 1.148 25069 5726 1 11 . 1 1 3 3 SER C C 3 172.689 172.689 174.047 -1.358 25069 5727 1 11 . 1 1 3 3 SER CA C 3 56.943 56.943 58.526 -1.583 25069 5728 1 11 . 1 1 3 3 SER CB C 3 63.102 63.102 61.730 1.372 25069 5729 1 11 . 1 1 3 3 SER H H 3 9.907 9.907 7.839 2.068 25069 5730 1 11 . 1 1 4 4 PRO C C 4 179.695 179.695 177.911 1.784 25069 5731 1 11 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.641 0.093 25069 5732 1 11 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.444 0.336 25069 5733 1 11 . 1 1 5 5 LEU N N 5 118.522 118.522 118.977 -0.455 25069 5734 1 11 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.954 0.077 25069 5735 1 11 . 1 1 5 5 LEU C C 5 177.968 177.968 178.563 -0.595 25069 5736 1 11 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.355 -0.707 25069 5737 1 11 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.778 0.857 25069 5738 1 11 . 1 1 5 5 LEU H H 5 8.277 8.277 7.383 0.894 25069 5739 1 11 . 1 1 6 6 GLU N N 6 118.997 118.997 117.835 1.162 25069 5740 1 11 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.959 -0.263 25069 5741 1 11 . 1 1 6 6 GLU C C 6 180.177 180.177 178.993 1.184 25069 5742 1 11 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.347 0.992 25069 5743 1 11 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.240 0.594 25069 5744 1 11 . 1 1 6 6 GLU H H 6 8.130 8.130 7.915 0.215 25069 5745 1 11 . 1 1 7 7 LYS N N 7 117.838 117.838 118.440 -0.602 25069 5746 1 11 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.157 -0.161 25069 5747 1 11 . 1 1 7 7 LYS C C 7 178.764 178.764 178.728 0.036 25069 5748 1 11 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.107 1.249 25069 5749 1 11 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.814 0.345 25069 5750 1 11 . 1 1 7 7 LYS H H 7 8.341 8.341 7.809 0.532 25069 5751 1 11 . 1 1 8 8 ALA N N 8 122.327 122.327 122.056 0.271 25069 5752 1 11 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.190 -0.211 25069 5753 1 11 . 1 1 8 8 ALA C C 8 179.482 179.482 179.362 0.120 25069 5754 1 11 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.398 0.770 25069 5755 1 11 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.058 0.236 25069 5756 1 11 . 1 1 8 8 ALA H H 8 8.082 8.082 7.998 0.084 25069 5757 1 11 . 1 1 9 9 LEU N N 9 118.212 118.212 118.512 -0.300 25069 5758 1 11 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.850 0.097 25069 5759 1 11 . 1 1 9 9 LEU C C 9 178.844 178.844 178.599 0.245 25069 5760 1 11 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.489 0.720 25069 5761 1 11 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.115 0.501 25069 5762 1 11 . 1 1 9 9 LEU H H 9 8.042 8.042 7.807 0.235 25069 5763 1 11 . 1 1 10 10 ASP N N 10 117.997 117.997 119.433 -1.436 25069 5764 1 11 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.381 0.006 25069 5765 1 11 . 1 1 10 10 ASP C C 10 179.582 179.582 178.448 1.134 25069 5766 1 11 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.279 0.491 25069 5767 1 11 . 1 1 10 10 ASP CB C 10 40.994 40.994 40.892 0.103 25069 5768 1 11 . 1 1 10 10 ASP H H 10 7.587 7.587 7.607 -0.020 25069 5769 1 11 . 1 1 11 11 VAL N N 11 120.702 120.702 119.257 1.445 25069 5770 1 11 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.748 -0.011 25069 5771 1 11 . 1 1 11 11 VAL C C 11 180.061 180.061 177.616 2.445 25069 5772 1 11 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.797 0.347 25069 5773 1 11 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.610 0.016 25069 5774 1 11 . 1 1 11 11 VAL H H 11 8.099 8.099 7.416 0.683 25069 5775 1 11 . 1 1 12 12 MET N N 12 123.185 123.185 119.742 3.443 25069 5776 1 11 . 1 1 12 12 MET HA H 12 3.921 3.921 4.091 -0.170 25069 5777 1 11 . 1 1 12 12 MET C C 12 178.871 178.871 177.283 1.588 25069 5778 1 11 . 1 1 12 12 MET CA C 12 60.784 60.784 58.627 2.157 25069 5779 1 11 . 1 1 12 12 MET CB C 12 32.579 32.579 32.135 0.444 25069 5780 1 11 . 1 1 12 12 MET H H 12 8.454 8.454 7.676 0.778 25069 5781 1 11 . 1 1 13 13 VAL N N 13 118.900 118.900 120.606 -1.706 25069 5782 1 11 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.070 0.855 25069 5783 1 11 . 1 1 13 13 VAL C C 13 177.712 177.712 177.935 -0.223 25069 5784 1 11 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.020 0.659 25069 5785 1 11 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.230 2.017 25069 5786 1 11 . 1 1 13 13 VAL H H 13 8.117 8.117 7.398 0.719 25069 5787 1 11 . 1 1 14 14 SER N N 14 114.675 114.675 115.449 -0.774 25069 5788 1 11 . 1 1 14 14 SER HA H 14 3.966 3.966 3.891 0.075 25069 5789 1 11 . 1 1 14 14 SER C C 14 178.306 178.306 176.498 1.808 25069 5790 1 11 . 1 1 14 14 SER CA C 14 61.937 61.937 60.845 1.092 25069 5791 1 11 . 1 1 14 14 SER CB C 14 62.474 62.474 62.962 -0.488 25069 5792 1 11 . 1 1 14 14 SER H H 14 8.935 8.935 7.476 1.459 25069 5793 1 11 . 1 1 15 15 THR N N 15 117.582 117.582 118.934 -1.352 25069 5794 1 11 . 1 1 15 15 THR HA H 15 4.190 4.190 3.911 0.279 25069 5795 1 11 . 1 1 15 15 THR C C 15 174.459 174.459 176.262 -1.803 25069 5796 1 11 . 1 1 15 15 THR CA C 15 67.683 67.683 66.701 0.982 25069 5797 1 11 . 1 1 15 15 THR CB C 15 68.187 68.187 68.441 -0.254 25069 5798 1 11 . 1 1 15 15 THR H H 15 8.543 8.543 7.923 0.620 25069 5799 1 11 . 1 1 16 16 PHE N N 16 118.606 118.606 118.620 -0.014 25069 5800 1 11 . 1 1 16 16 PHE HA H 16 3.369 3.369 4.067 -0.698 25069 5801 1 11 . 1 1 16 16 PHE C C 16 176.480 176.480 178.344 -1.864 25069 5802 1 11 . 1 1 16 16 PHE CA C 16 62.481 62.481 59.484 2.997 25069 5803 1 11 . 1 1 16 16 PHE CB C 16 39.236 39.236 37.206 2.030 25069 5804 1 11 . 1 1 16 16 PHE H H 16 6.809 6.809 7.170 -0.361 25069 5805 1 11 . 1 1 17 17 HIS N N 17 114.536 114.536 117.729 -3.193 25069 5806 1 11 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.495 0.231 25069 5807 1 11 . 1 1 17 17 HIS C C 17 177.124 177.124 177.610 -0.486 25069 5808 1 11 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.502 0.225 25069 5809 1 11 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.266 0.882 25069 5810 1 11 . 1 1 17 17 HIS H H 17 6.955 6.955 8.033 -1.078 25069 5811 1 11 . 1 1 18 18 LYS N N 18 120.739 120.739 120.259 0.480 25069 5812 1 11 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.877 -0.159 25069 5813 1 11 . 1 1 18 18 LYS C C 18 177.006 177.006 177.174 -0.168 25069 5814 1 11 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.194 -0.326 25069 5815 1 11 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.149 -0.035 25069 5816 1 11 . 1 1 18 18 LYS H H 18 7.820 7.820 7.523 0.297 25069 5817 1 11 . 1 1 19 19 TYR N N 19 112.545 112.545 114.870 -2.325 25069 5818 1 11 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.421 -0.282 25069 5819 1 11 . 1 1 19 19 TYR C C 19 176.218 176.218 177.712 -1.494 25069 5820 1 11 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.164 -0.266 25069 5821 1 11 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.143 1.314 25069 5822 1 11 . 1 1 19 19 TYR H H 19 6.730 6.730 7.574 -0.844 25069 5823 1 11 . 1 1 20 20 SER N N 20 113.404 113.404 116.612 -3.208 25069 5824 1 11 . 1 1 20 20 SER HA H 20 3.385 3.385 4.266 -0.881 25069 5825 1 11 . 1 1 20 20 SER C C 20 176.961 176.961 175.899 1.062 25069 5826 1 11 . 1 1 20 20 SER CA C 20 61.866 61.866 61.538 0.327 25069 5827 1 11 . 1 1 20 20 SER CB C 20 60.904 60.904 63.182 -2.278 25069 5828 1 11 . 1 1 20 20 SER H H 20 8.493 8.493 8.490 0.003 25069 5829 1 11 . 1 1 21 21 GLY N N 21 109.001 109.001 106.327 2.674 25069 5830 1 11 . 1 1 21 21 GLY C C 21 173.502 173.502 174.170 -0.668 25069 5831 1 11 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.890 0.649 25069 5832 1 11 . 1 1 21 21 GLY H H 21 7.512 7.512 7.799 -0.287 25069 5833 1 11 . 1 1 22 22 LYS N N 22 120.754 120.754 118.268 2.486 25069 5834 1 11 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.383 -0.588 25069 5835 1 11 . 1 1 22 22 LYS C C 22 177.354 177.354 176.389 0.965 25069 5836 1 11 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.636 3.371 25069 5837 1 11 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.851 -0.868 25069 5838 1 11 . 1 1 22 22 LYS H H 22 6.958 6.958 7.690 -0.732 25069 5839 1 11 . 1 1 23 23 GLU N N 23 115.305 115.305 116.599 -1.294 25069 5840 1 11 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.408 0.050 25069 5841 1 11 . 1 1 23 23 GLU C C 23 176.733 176.733 175.547 1.186 25069 5842 1 11 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.903 -1.468 25069 5843 1 11 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.575 1.779 25069 5844 1 11 . 1 1 23 23 GLU H H 23 9.425 9.425 7.583 1.842 25069 5845 1 11 . 1 1 24 24 GLY N N 24 112.542 112.542 112.942 -0.400 25069 5846 1 11 . 1 1 24 24 GLY C C 24 173.486 173.486 173.451 0.035 25069 5847 1 11 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.238 1.104 25069 5848 1 11 . 1 1 24 24 GLY H H 24 8.879 8.879 8.433 0.446 25069 5849 1 11 . 1 1 25 25 ASP N N 25 125.117 125.117 121.527 3.590 25069 5850 1 11 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.650 -0.367 25069 5851 1 11 . 1 1 25 25 ASP C C 25 179.177 179.177 175.644 3.533 25069 5852 1 11 . 1 1 25 25 ASP CA C 25 55.114 55.114 52.630 2.484 25069 5853 1 11 . 1 1 25 25 ASP CB C 25 41.736 41.736 43.948 -2.212 25069 5854 1 11 . 1 1 25 25 ASP H H 25 8.423 8.423 7.820 0.603 25069 5855 1 11 . 1 1 26 26 LYS N N 26 131.175 131.175 121.233 9.942 25069 5856 1 11 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.208 -0.012 25069 5857 1 11 . 1 1 26 26 LYS C C 26 176.638 176.638 175.988 0.650 25069 5858 1 11 . 1 1 26 26 LYS CA C 26 57.968 57.968 58.263 -0.295 25069 5859 1 11 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.306 -1.083 25069 5860 1 11 . 1 1 26 26 LYS H H 26 9.247 9.247 8.432 0.815 25069 5861 1 11 . 1 1 27 27 PHE N N 27 118.593 118.593 109.305 9.288 25069 5862 1 11 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.999 -0.300 25069 5863 1 11 . 1 1 27 27 PHE C C 27 173.452 173.452 173.939 -0.487 25069 5864 1 11 . 1 1 27 27 PHE CA C 27 56.032 56.032 55.551 0.481 25069 5865 1 11 . 1 1 27 27 PHE CB C 27 39.091 39.091 38.983 0.108 25069 5866 1 11 . 1 1 27 27 PHE H H 27 9.335 9.335 7.052 2.283 25069 5867 1 11 . 1 1 28 28 LYS N N 28 113.854 113.854 119.478 -5.624 25069 5868 1 11 . 1 1 28 28 LYS HA H 28 5.004 5.004 4.744 0.260 25069 5869 1 11 . 1 1 28 28 LYS C C 28 174.468 174.468 175.102 -0.634 25069 5870 1 11 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.044 0.243 25069 5871 1 11 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.138 1.880 25069 5872 1 11 . 1 1 28 28 LYS H H 28 6.985 6.985 7.350 -0.365 25069 5873 1 11 . 1 1 29 29 LEU N N 29 124.858 124.858 125.170 -0.312 25069 5874 1 11 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.637 0.376 25069 5875 1 11 . 1 1 29 29 LEU C C 29 175.791 175.791 175.805 -0.014 25069 5876 1 11 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.470 -0.871 25069 5877 1 11 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.177 1.380 25069 5878 1 11 . 1 1 29 29 LEU H H 29 9.454 9.454 8.815 0.639 25069 5879 1 11 . 1 1 30 30 ASN N N 30 122.896 122.896 121.613 1.283 25069 5880 1 11 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.040 -0.462 25069 5881 1 11 . 1 1 30 30 ASN C C 30 174.969 174.969 176.456 -1.487 25069 5882 1 11 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.021 -0.923 25069 5883 1 11 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.606 -2.248 25069 5884 1 11 . 1 1 30 30 ASN H H 30 9.560 9.560 8.265 1.295 25069 5885 1 11 . 1 1 31 31 LYS N N 31 115.136 115.136 120.154 -5.018 25069 5886 1 11 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.830 0.040 25069 5887 1 11 . 1 1 31 31 LYS C C 31 177.992 177.992 178.638 -0.646 25069 5888 1 11 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.732 0.303 25069 5889 1 11 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.109 0.096 25069 5890 1 11 . 1 1 31 31 LYS H H 31 8.204 8.204 8.882 -0.678 25069 5891 1 11 . 1 1 32 32 SER N N 32 113.755 113.755 115.114 -1.359 25069 5892 1 11 . 1 1 32 32 SER HA H 32 3.939 3.939 3.982 -0.043 25069 5893 1 11 . 1 1 32 32 SER C C 32 177.484 177.484 176.636 0.848 25069 5894 1 11 . 1 1 32 32 SER CA C 32 61.374 61.374 61.795 -0.421 25069 5895 1 11 . 1 1 32 32 SER CB C 32 62.733 62.733 62.804 -0.071 25069 5896 1 11 . 1 1 32 32 SER H H 32 7.575 7.575 8.055 -0.480 25069 5897 1 11 . 1 1 33 33 GLU N N 33 122.657 122.657 121.802 0.855 25069 5898 1 11 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.113 -0.200 25069 5899 1 11 . 1 1 33 33 GLU C C 33 178.560 178.560 178.892 -0.332 25069 5900 1 11 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.615 0.227 25069 5901 1 11 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.464 1.735 25069 5902 1 11 . 1 1 33 33 GLU H H 33 8.608 8.608 7.655 0.953 25069 5903 1 11 . 1 1 34 34 LEU N N 34 117.375 117.375 122.546 -5.171 25069 5904 1 11 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.832 -0.027 25069 5905 1 11 . 1 1 34 34 LEU C C 34 177.693 177.693 178.082 -0.389 25069 5906 1 11 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.753 -0.977 25069 5907 1 11 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.833 -0.136 25069 5908 1 11 . 1 1 34 34 LEU H H 34 8.859 8.859 8.773 0.086 25069 5909 1 11 . 1 1 35 35 LYS N N 35 117.418 117.418 118.336 -0.918 25069 5910 1 11 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.346 0.180 25069 5911 1 11 . 1 1 35 35 LYS C C 35 179.129 179.129 178.658 0.471 25069 5912 1 11 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.031 0.135 25069 5913 1 11 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.491 0.268 25069 5914 1 11 . 1 1 35 35 LYS H H 35 7.901 7.901 8.296 -0.395 25069 5915 1 11 . 1 1 36 36 GLU N N 36 120.491 120.491 119.484 1.007 25069 5916 1 11 . 1 1 36 36 GLU HA H 36 3.719 3.719 3.931 -0.212 25069 5917 1 11 . 1 1 36 36 GLU C C 36 176.354 176.354 178.964 -2.610 25069 5918 1 11 . 1 1 36 36 GLU CA C 36 59.969 59.969 58.872 1.097 25069 5919 1 11 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.518 -0.125 25069 5920 1 11 . 1 1 36 36 GLU H H 36 7.619 7.619 7.502 0.117 25069 5921 1 11 . 1 1 37 37 LEU N N 37 120.058 120.058 121.277 -1.219 25069 5922 1 11 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.121 -0.696 25069 5923 1 11 . 1 1 37 37 LEU C C 37 179.412 179.412 178.391 1.021 25069 5924 1 11 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.764 1.673 25069 5925 1 11 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.846 -0.042 25069 5926 1 11 . 1 1 37 37 LEU H H 37 7.762 7.762 7.826 -0.064 25069 5927 1 11 . 1 1 38 38 LEU N N 38 116.987 116.987 120.392 -3.405 25069 5928 1 11 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.245 -0.580 25069 5929 1 11 . 1 1 38 38 LEU C C 38 178.279 178.279 180.166 -1.887 25069 5930 1 11 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.288 0.390 25069 5931 1 11 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.788 1.526 25069 5932 1 11 . 1 1 38 38 LEU H H 38 8.532 8.532 8.842 -0.310 25069 5933 1 11 . 1 1 39 39 THR N N 39 108.650 108.650 110.992 -2.342 25069 5934 1 11 . 1 1 39 39 THR HA H 39 3.693 3.693 4.052 -0.359 25069 5935 1 11 . 1 1 39 39 THR C C 39 176.231 176.231 177.195 -0.964 25069 5936 1 11 . 1 1 39 39 THR CA C 39 65.997 65.997 66.356 -0.359 25069 5937 1 11 . 1 1 39 39 THR CB C 39 69.618 69.618 68.483 1.135 25069 5938 1 11 . 1 1 39 39 THR H H 39 7.883 7.883 8.528 -0.645 25069 5939 1 11 . 1 1 40 40 ARG N N 40 115.482 115.482 119.624 -4.142 25069 5940 1 11 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.306 -0.154 25069 5941 1 11 . 1 1 40 40 ARG C C 40 178.520 178.520 178.430 0.090 25069 5942 1 11 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.041 -0.006 25069 5943 1 11 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.777 0.468 25069 5944 1 11 . 1 1 40 40 ARG H H 40 8.015 8.015 7.833 0.182 25069 5945 1 11 . 1 1 41 41 GLU N N 41 112.106 112.106 117.207 -5.101 25069 5946 1 11 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.443 0.391 25069 5947 1 11 . 1 1 41 41 GLU C C 41 177.856 177.856 177.200 0.656 25069 5948 1 11 . 1 1 41 41 GLU CA C 41 55.198 55.198 57.030 -1.832 25069 5949 1 11 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.921 -0.600 25069 5950 1 11 . 1 1 41 41 GLU H H 41 8.463 8.463 8.445 0.018 25069 5951 1 11 . 1 1 42 42 LEU N N 42 119.287 119.287 121.281 -1.994 25069 5952 1 11 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.999 0.053 25069 5953 1 11 . 1 1 42 42 LEU C C 42 174.457 174.457 174.464 -0.007 25069 5954 1 11 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.452 0.386 25069 5955 1 11 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.131 1.952 25069 5956 1 11 . 1 1 42 42 LEU H H 42 7.688 7.688 8.024 -0.336 25069 5957 1 11 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.372 -0.168 25069 5958 1 11 . 1 1 43 43 PRO C C 43 179.969 179.969 178.403 1.566 25069 5959 1 11 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.820 -0.131 25069 5960 1 11 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.960 -1.133 25069 5961 1 11 . 1 1 44 44 SER N N 44 114.352 114.352 112.858 1.494 25069 5962 1 11 . 1 1 44 44 SER HA H 44 4.093 4.093 4.233 -0.140 25069 5963 1 11 . 1 1 44 44 SER C C 44 175.709 175.709 176.325 -0.616 25069 5964 1 11 . 1 1 44 44 SER CA C 44 60.793 60.793 60.836 -0.043 25069 5965 1 11 . 1 1 44 44 SER CB C 44 62.400 62.400 62.811 -0.411 25069 5966 1 11 . 1 1 44 44 SER H H 44 8.674 8.674 8.265 0.409 25069 5967 1 11 . 1 1 45 45 PHE N N 45 121.558 121.558 122.163 -0.605 25069 5968 1 11 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.292 -0.140 25069 5969 1 11 . 1 1 45 45 PHE C C 45 176.441 176.441 176.956 -0.515 25069 5970 1 11 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.964 -0.630 25069 5971 1 11 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.235 0.554 25069 5972 1 11 . 1 1 45 45 PHE H H 45 7.952 7.952 8.301 -0.349 25069 5973 1 11 . 1 1 46 46 LEU N N 46 117.590 117.590 115.666 1.924 25069 5974 1 11 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.314 -0.478 25069 5975 1 11 . 1 1 46 46 LEU C C 46 178.236 178.236 178.116 0.120 25069 5976 1 11 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.748 1.396 25069 5977 1 11 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.948 0.568 25069 5978 1 11 . 1 1 46 46 LEU H H 46 7.906 7.906 7.793 0.113 25069 5979 1 11 . 1 1 47 47 GLY N N 47 104.817 104.817 108.526 -3.709 25069 5980 1 11 . 1 1 47 47 GLY C C 47 174.665 174.665 175.764 -1.099 25069 5981 1 11 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.837 -0.851 25069 5982 1 11 . 1 1 47 47 GLY H H 47 7.646 7.646 7.573 0.073 25069 5983 1 11 . 1 1 48 48 LYS N N 48 120.422 120.422 118.530 1.892 25069 5984 1 11 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.227 -0.075 25069 5985 1 11 . 1 1 48 48 LYS C C 48 177.029 177.029 176.876 0.153 25069 5986 1 11 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.907 -0.428 25069 5987 1 11 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.821 -0.569 25069 5988 1 11 . 1 1 48 48 LYS H H 48 8.400 8.400 7.409 0.991 25069 5989 1 11 . 1 1 49 49 ARG N N 49 119.815 119.815 120.303 -0.488 25069 5990 1 11 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.393 -0.090 25069 5991 1 11 . 1 1 49 49 ARG C C 49 175.183 175.183 173.939 1.244 25069 5992 1 11 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.845 -0.146 25069 5993 1 11 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.735 -1.228 25069 5994 1 11 . 1 1 49 49 ARG H H 49 7.801 7.801 7.189 0.612 25069 5995 1 11 . 1 1 50 50 THR N N 50 110.525 110.525 113.654 -3.129 25069 5996 1 11 . 1 1 50 50 THR HA H 50 4.091 4.091 4.312 -0.221 25069 5997 1 11 . 1 1 50 50 THR C C 50 174.108 174.108 173.568 0.540 25069 5998 1 11 . 1 1 50 50 THR CA C 50 61.579 61.579 60.861 0.718 25069 5999 1 11 . 1 1 50 50 THR CB C 50 69.136 69.136 70.330 -1.194 25069 6000 1 11 . 1 1 50 50 THR H H 50 7.808 7.808 7.708 0.100 25069 6001 1 11 . 1 1 51 51 ASP N N 51 121.073 121.073 123.390 -2.317 25069 6002 1 11 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.619 -0.059 25069 6003 1 11 . 1 1 51 51 ASP C C 51 175.715 175.715 176.106 -0.391 25069 6004 1 11 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.716 -0.662 25069 6005 1 11 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.528 -0.717 25069 6006 1 11 . 1 1 51 51 ASP H H 51 7.924 7.924 7.661 0.263 25069 6007 1 11 . 1 1 52 52 GLU N N 52 120.418 120.418 122.608 -2.190 25069 6008 1 11 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.176 -0.134 25069 6009 1 11 . 1 1 52 52 GLU C C 52 178.726 178.726 178.015 0.711 25069 6010 1 11 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.023 -0.463 25069 6011 1 11 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.724 -0.340 25069 6012 1 11 . 1 1 52 52 GLU H H 52 8.515 8.515 8.978 -0.463 25069 6013 1 11 . 1 1 53 53 ALA N N 53 120.807 120.807 121.006 -0.199 25069 6014 1 11 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.170 -0.134 25069 6015 1 11 . 1 1 53 53 ALA C C 53 180.416 180.416 179.174 1.242 25069 6016 1 11 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.858 0.283 25069 6017 1 11 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.173 -0.229 25069 6018 1 11 . 1 1 53 53 ALA H H 53 8.242 8.242 8.552 -0.310 25069 6019 1 11 . 1 1 54 54 ALA N N 54 121.069 121.069 122.014 -0.945 25069 6020 1 11 . 1 1 54 54 ALA HA H 54 3.927 3.927 3.997 -0.070 25069 6021 1 11 . 1 1 54 54 ALA C C 54 180.846 180.846 179.647 1.199 25069 6022 1 11 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.752 0.225 25069 6023 1 11 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.024 0.313 25069 6024 1 11 . 1 1 54 54 ALA H H 54 7.874 7.874 7.813 0.061 25069 6025 1 11 . 1 1 55 55 PHE N N 55 118.066 118.066 117.782 0.284 25069 6026 1 11 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.204 -0.237 25069 6027 1 11 . 1 1 55 55 PHE C C 55 177.160 177.160 177.829 -0.669 25069 6028 1 11 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.748 0.281 25069 6029 1 11 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.486 0.346 25069 6030 1 11 . 1 1 55 55 PHE H H 55 8.013 8.013 8.000 0.013 25069 6031 1 11 . 1 1 56 56 GLN N N 56 118.474 118.474 120.513 -2.039 25069 6032 1 11 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.986 -0.246 25069 6033 1 11 . 1 1 56 56 GLN C C 56 178.531 178.531 178.027 0.504 25069 6034 1 11 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.189 -0.357 25069 6035 1 11 . 1 1 56 56 GLN CB C 56 27.854 27.854 27.995 -0.141 25069 6036 1 11 . 1 1 56 56 GLN H H 56 8.265 8.265 8.041 0.224 25069 6037 1 11 . 1 1 57 57 LYS N N 57 119.207 119.207 119.902 -0.695 25069 6038 1 11 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.066 -0.213 25069 6039 1 11 . 1 1 57 57 LYS C C 57 178.458 178.458 179.143 -0.685 25069 6040 1 11 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.111 -0.034 25069 6041 1 11 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.032 0.102 25069 6042 1 11 . 1 1 57 57 LYS H H 57 7.622 7.622 8.279 -0.657 25069 6043 1 11 . 1 1 58 58 LEU N N 58 119.398 119.398 121.718 -2.320 25069 6044 1 11 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.935 -0.030 25069 6045 1 11 . 1 1 58 58 LEU C C 58 178.444 178.444 178.316 0.128 25069 6046 1 11 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.923 0.197 25069 6047 1 11 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.684 -0.030 25069 6048 1 11 . 1 1 58 58 LEU H H 58 7.504 7.504 8.226 -0.722 25069 6049 1 11 . 1 1 59 59 MET N N 59 116.434 116.434 119.508 -3.074 25069 6050 1 11 . 1 1 59 59 MET HA H 59 3.614 3.614 3.876 -0.262 25069 6051 1 11 . 1 1 59 59 MET C C 59 177.513 177.513 178.137 -0.624 25069 6052 1 11 . 1 1 59 59 MET CA C 59 58.765 58.765 59.542 -0.777 25069 6053 1 11 . 1 1 59 59 MET CB C 59 31.060 31.060 32.019 -0.959 25069 6054 1 11 . 1 1 59 59 MET H H 59 8.049 8.049 8.639 -0.590 25069 6055 1 11 . 1 1 60 60 SER N N 60 111.447 111.447 114.400 -2.953 25069 6056 1 11 . 1 1 60 60 SER HA H 60 4.066 4.066 4.141 -0.075 25069 6057 1 11 . 1 1 60 60 SER C C 60 175.986 175.986 177.119 -1.133 25069 6058 1 11 . 1 1 60 60 SER CA C 60 61.416 61.416 61.092 0.324 25069 6059 1 11 . 1 1 60 60 SER CB C 60 62.945 62.945 62.741 0.204 25069 6060 1 11 . 1 1 60 60 SER H H 60 7.839 7.839 8.184 -0.345 25069 6061 1 11 . 1 1 61 61 ASN N N 61 117.559 117.559 119.823 -2.264 25069 6062 1 11 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.558 -0.208 25069 6063 1 11 . 1 1 61 61 ASN C C 61 176.377 176.377 177.035 -0.658 25069 6064 1 11 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.504 -0.501 25069 6065 1 11 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.577 0.297 25069 6066 1 11 . 1 1 61 61 ASN H H 61 7.615 7.615 7.937 -0.322 25069 6067 1 11 . 1 1 62 62 LEU N N 62 117.926 117.926 117.236 0.690 25069 6068 1 11 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.224 -0.196 25069 6069 1 11 . 1 1 62 62 LEU C C 62 178.394 178.394 177.784 0.610 25069 6070 1 11 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.312 0.685 25069 6071 1 11 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.163 1.239 25069 6072 1 11 . 1 1 62 62 LEU H H 62 7.719 7.719 8.038 -0.319 25069 6073 1 11 . 1 1 63 63 ASP N N 63 115.899 115.899 118.729 -2.830 25069 6074 1 11 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.429 0.139 25069 6075 1 11 . 1 1 63 63 ASP C C 63 176.866 176.866 176.149 0.717 25069 6076 1 11 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.387 -1.647 25069 6077 1 11 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.827 -0.341 25069 6078 1 11 . 1 1 63 63 ASP H H 63 7.707 7.707 8.329 -0.622 25069 6079 1 11 . 1 1 64 64 SER N N 64 121.158 121.158 120.880 0.278 25069 6080 1 11 . 1 1 64 64 SER HA H 64 4.080 4.080 4.309 -0.229 25069 6081 1 11 . 1 1 64 64 SER C C 64 175.780 175.780 175.603 0.177 25069 6082 1 11 . 1 1 64 64 SER CA C 64 60.698 60.698 59.912 0.786 25069 6083 1 11 . 1 1 64 64 SER CB C 64 63.034 63.034 63.246 -0.212 25069 6084 1 11 . 1 1 64 64 SER H H 64 8.034 8.034 8.555 -0.521 25069 6085 1 11 . 1 1 65 65 ASN N N 65 115.443 115.443 118.791 -3.348 25069 6086 1 11 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.593 0.071 25069 6087 1 11 . 1 1 65 65 ASN C C 65 174.775 174.775 175.079 -0.304 25069 6088 1 11 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.945 -1.946 25069 6089 1 11 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.682 -1.511 25069 6090 1 11 . 1 1 65 65 ASN H H 65 8.055 8.055 8.092 -0.037 25069 6091 1 11 . 1 1 66 66 ARG N N 66 114.242 114.242 117.000 -2.758 25069 6092 1 11 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.439 -0.512 25069 6093 1 11 . 1 1 66 66 ARG C C 66 175.354 175.354 175.432 -0.078 25069 6094 1 11 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.166 -0.007 25069 6095 1 11 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.232 -0.379 25069 6096 1 11 . 1 1 66 66 ARG H H 66 7.560 7.560 7.532 0.028 25069 6097 1 11 . 1 1 67 67 ASP N N 67 118.260 118.260 119.535 -1.275 25069 6098 1 11 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.723 -0.121 25069 6099 1 11 . 1 1 67 67 ASP C C 67 177.143 177.143 176.058 1.085 25069 6100 1 11 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.197 -0.178 25069 6101 1 11 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.565 -0.861 25069 6102 1 11 . 1 1 67 67 ASP H H 67 8.406 8.406 8.394 0.012 25069 6103 1 11 . 1 1 68 68 ASN N N 68 115.091 115.091 115.280 -0.189 25069 6104 1 11 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.416 -0.437 25069 6105 1 11 . 1 1 68 68 ASN C C 68 173.046 173.046 173.386 -0.340 25069 6106 1 11 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.395 0.942 25069 6107 1 11 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.559 0.331 25069 6108 1 11 . 1 1 68 68 ASN H H 68 10.021 10.021 8.833 1.188 25069 6109 1 11 . 1 1 69 69 GLU N N 69 115.671 115.671 116.698 -1.027 25069 6110 1 11 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.801 -0.103 25069 6111 1 11 . 1 1 69 69 GLU C C 69 175.335 175.335 175.172 0.163 25069 6112 1 11 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.979 -0.108 25069 6113 1 11 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.005 2.628 25069 6114 1 11 . 1 1 69 69 GLU H H 69 7.724 7.724 7.765 -0.041 25069 6115 1 11 . 1 1 70 70 VAL N N 70 124.606 124.606 125.303 -0.697 25069 6116 1 11 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.079 1.056 25069 6117 1 11 . 1 1 70 70 VAL C C 70 175.876 175.876 175.811 0.065 25069 6118 1 11 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.156 -1.014 25069 6119 1 11 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.044 1.514 25069 6120 1 11 . 1 1 70 70 VAL H H 70 9.814 9.814 8.789 1.025 25069 6121 1 11 . 1 1 71 71 ASP N N 71 127.612 127.612 127.006 0.606 25069 6122 1 11 . 1 1 71 71 ASP HA H 71 5.025 5.025 4.968 0.057 25069 6123 1 11 . 1 1 71 71 ASP C C 71 175.018 175.018 177.481 -2.463 25069 6124 1 11 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.255 -0.694 25069 6125 1 11 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.350 -0.371 25069 6126 1 11 . 1 1 71 71 ASP H H 71 8.896 8.896 8.283 0.613 25069 6127 1 11 . 1 1 72 72 PHE N N 72 117.738 117.738 117.899 -0.161 25069 6128 1 11 . 1 1 72 72 PHE C C 72 177.390 177.390 178.070 -0.680 25069 6129 1 11 . 1 1 72 72 PHE CA C 72 63.026 63.026 63.047 -0.021 25069 6130 1 11 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.650 0.578 25069 6131 1 11 . 1 1 72 72 PHE H H 72 8.993 8.993 8.450 0.543 25069 6132 1 11 . 1 1 73 73 GLN N N 73 120.479 120.479 119.605 0.874 25069 6133 1 11 . 1 1 73 73 GLN HA H 73 3.804 3.804 4.011 -0.207 25069 6134 1 11 . 1 1 73 73 GLN C C 73 178.583 178.583 177.926 0.657 25069 6135 1 11 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.865 0.195 25069 6136 1 11 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.352 -0.524 25069 6137 1 11 . 1 1 73 73 GLN H H 73 8.246 8.246 8.627 -0.381 25069 6138 1 11 . 1 1 74 74 GLU N N 74 120.179 120.179 118.840 1.339 25069 6139 1 11 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.035 -0.191 25069 6140 1 11 . 1 1 74 74 GLU C C 74 180.584 180.584 179.168 1.416 25069 6141 1 11 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.511 -0.498 25069 6142 1 11 . 1 1 74 74 GLU CB C 74 30.406 30.406 28.773 1.633 25069 6143 1 11 . 1 1 74 74 GLU H H 74 8.782 8.782 8.793 -0.011 25069 6144 1 11 . 1 1 75 75 TYR N N 75 122.109 122.109 120.727 1.382 25069 6145 1 11 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.177 -0.165 25069 6146 1 11 . 1 1 75 75 TYR C C 75 175.383 175.383 177.259 -1.876 25069 6147 1 11 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.304 -1.081 25069 6148 1 11 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.384 0.406 25069 6149 1 11 . 1 1 75 75 TYR H H 75 8.619 8.619 8.415 0.204 25069 6150 1 11 . 1 1 76 76 SER N N 76 117.790 117.790 116.614 1.176 25069 6151 1 11 . 1 1 76 76 SER HA H 76 3.326 3.326 4.353 -1.027 25069 6152 1 11 . 1 1 76 76 SER C C 76 176.930 176.930 176.379 0.551 25069 6153 1 11 . 1 1 76 76 SER CA C 76 62.377 62.377 62.394 -0.017 25069 6154 1 11 . 1 1 76 76 SER CB C 76 62.573 62.573 62.769 -0.196 25069 6155 1 11 . 1 1 76 76 SER H H 76 8.654 8.654 8.420 0.234 25069 6156 1 11 . 1 1 77 77 VAL N N 77 123.033 123.033 121.794 1.239 25069 6157 1 11 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.762 -0.183 25069 6158 1 11 . 1 1 77 77 VAL C C 77 178.969 178.969 177.404 1.565 25069 6159 1 11 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.139 -0.043 25069 6160 1 11 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.038 0.939 25069 6161 1 11 . 1 1 77 77 VAL H H 77 7.844 7.844 8.485 -0.641 25069 6162 1 11 . 1 1 78 78 PHE N N 78 121.473 121.473 122.486 -1.013 25069 6163 1 11 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.151 0.197 25069 6164 1 11 . 1 1 78 78 PHE C C 78 177.726 177.726 178.099 -0.373 25069 6165 1 11 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.509 -1.180 25069 6166 1 11 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.344 0.200 25069 6167 1 11 . 1 1 78 78 PHE H H 78 7.439 7.439 7.543 -0.104 25069 6168 1 11 . 1 1 79 79 LEU N N 79 118.574 118.574 118.958 -0.384 25069 6169 1 11 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.303 -0.073 25069 6170 1 11 . 1 1 79 79 LEU C C 79 178.837 178.837 178.741 0.096 25069 6171 1 11 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.700 0.030 25069 6172 1 11 . 1 1 79 79 LEU CB C 79 40.452 40.452 41.089 -0.637 25069 6173 1 11 . 1 1 79 79 LEU H H 79 8.298 8.298 8.301 -0.003 25069 6174 1 11 . 1 1 80 80 SER N N 80 112.827 112.827 115.355 -2.528 25069 6175 1 11 . 1 1 80 80 SER HA H 80 3.978 3.978 3.946 0.032 25069 6176 1 11 . 1 1 80 80 SER C C 80 175.796 175.796 176.441 -0.645 25069 6177 1 11 . 1 1 80 80 SER CA C 80 62.278 62.278 61.946 0.332 25069 6178 1 11 . 1 1 80 80 SER CB C 80 63.148 63.148 63.147 0.001 25069 6179 1 11 . 1 1 80 80 SER H H 80 7.728 7.728 8.555 -0.827 25069 6180 1 11 . 1 1 81 81 SER N N 81 117.584 117.584 118.231 -0.647 25069 6181 1 11 . 1 1 81 81 SER HA H 81 4.151 4.151 4.175 -0.024 25069 6182 1 11 . 1 1 81 81 SER C C 81 176.761 176.761 176.845 -0.084 25069 6183 1 11 . 1 1 81 81 SER CA C 81 61.673 61.673 61.490 0.183 25069 6184 1 11 . 1 1 81 81 SER CB C 81 62.441 62.441 62.369 0.072 25069 6185 1 11 . 1 1 81 81 SER H H 81 7.703 7.703 8.360 -0.657 25069 6186 1 11 . 1 1 82 82 ILE N N 82 122.194 122.194 123.149 -0.955 25069 6187 1 11 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.617 0.031 25069 6188 1 11 . 1 1 82 82 ILE C C 82 178.743 178.743 178.072 0.671 25069 6189 1 11 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.218 -1.069 25069 6190 1 11 . 1 1 82 82 ILE CB C 82 36.725 36.725 36.960 -0.235 25069 6191 1 11 . 1 1 82 82 ILE H H 82 7.490 7.490 8.167 -0.677 25069 6192 1 11 . 1 1 83 83 ALA N N 83 123.288 123.288 123.063 0.225 25069 6193 1 11 . 1 1 83 83 ALA HA H 83 3.814 3.814 4.068 -0.254 25069 6194 1 11 . 1 1 83 83 ALA C C 83 179.019 179.019 180.008 -0.989 25069 6195 1 11 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.750 0.777 25069 6196 1 11 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.743 -1.094 25069 6197 1 11 . 1 1 83 83 ALA H H 83 8.190 8.190 7.858 0.332 25069 6198 1 11 . 1 1 84 84 MET N N 84 114.549 114.549 118.046 -3.497 25069 6199 1 11 . 1 1 84 84 MET HA H 84 4.660 4.660 4.017 0.643 25069 6200 1 11 . 1 1 84 84 MET C C 84 174.776 174.776 178.628 -3.852 25069 6201 1 11 . 1 1 84 84 MET CA C 84 58.603 58.603 59.411 -0.808 25069 6202 1 11 . 1 1 84 84 MET CB C 84 37.147 37.147 32.668 4.479 25069 6203 1 11 . 1 1 84 84 MET H H 84 8.060 8.060 8.479 -0.419 25069 6204 1 11 . 1 1 85 85 MET N N 85 114.638 114.638 118.564 -3.926 25069 6205 1 11 . 1 1 85 85 MET HA H 85 4.079 4.079 4.322 -0.243 25069 6206 1 11 . 1 1 85 85 MET C C 85 178.153 178.153 179.107 -0.954 25069 6207 1 11 . 1 1 85 85 MET CA C 85 58.444 58.444 57.525 0.919 25069 6208 1 11 . 1 1 85 85 MET CB C 85 32.523 32.523 31.365 1.158 25069 6209 1 11 . 1 1 85 85 MET H H 85 8.097 8.097 8.772 -0.675 25069 6210 1 11 . 1 1 86 86 SER N N 86 114.719 114.719 114.470 0.249 25069 6211 1 11 . 1 1 86 86 SER HA H 86 4.184 4.184 4.276 -0.092 25069 6212 1 11 . 1 1 86 86 SER C C 86 176.656 176.656 176.581 0.075 25069 6213 1 11 . 1 1 86 86 SER CA C 86 60.867 60.867 61.811 -0.944 25069 6214 1 11 . 1 1 86 86 SER CB C 86 63.250 63.250 62.539 0.710 25069 6215 1 11 . 1 1 86 86 SER H H 86 8.119 8.119 8.659 -0.540 25069 6216 1 11 . 1 1 87 87 ASN N N 87 119.754 119.754 121.229 -1.475 25069 6217 1 11 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.488 0.090 25069 6218 1 11 . 1 1 87 87 ASN C C 87 176.062 176.062 177.206 -1.144 25069 6219 1 11 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.267 -0.091 25069 6220 1 11 . 1 1 87 87 ASN CB C 87 38.748 38.748 39.069 -0.321 25069 6221 1 11 . 1 1 87 87 ASN H H 87 8.328 8.328 7.680 0.648 25069 6222 1 11 . 1 1 88 88 GLU N N 88 117.928 117.928 119.777 -1.849 25069 6223 1 11 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.018 -0.279 25069 6224 1 11 . 1 1 88 88 GLU C C 88 177.870 177.870 179.100 -1.230 25069 6225 1 11 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.136 -0.204 25069 6226 1 11 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.022 0.259 25069 6227 1 11 . 1 1 88 88 GLU H H 88 7.747 7.747 8.574 -0.827 25069 6228 1 11 . 1 1 89 89 PHE N N 89 116.133 116.133 117.116 -0.983 25069 6229 1 11 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.300 -0.131 25069 6230 1 11 . 1 1 89 89 PHE C C 89 176.404 176.404 177.758 -1.354 25069 6231 1 11 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.926 -0.870 25069 6232 1 11 . 1 1 89 89 PHE CB C 89 38.842 38.842 38.672 0.170 25069 6233 1 11 . 1 1 89 89 PHE H H 89 7.465 7.465 7.936 -0.471 25069 6234 1 11 . 1 1 90 90 PHE N N 90 119.130 119.130 120.906 -1.776 25069 6235 1 11 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.211 -0.156 25069 6236 1 11 . 1 1 90 90 PHE C C 90 176.420 176.420 176.701 -0.281 25069 6237 1 11 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.850 -1.080 25069 6238 1 11 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.392 -0.079 25069 6239 1 11 . 1 1 90 90 PHE H H 90 7.537 7.537 7.462 0.075 25069 6240 1 11 . 1 1 91 91 GLU N N 91 118.971 118.971 117.497 1.474 25069 6241 1 11 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.195 -0.455 25069 6242 1 11 . 1 1 91 91 GLU C C 91 176.491 176.491 177.665 -1.174 25069 6243 1 11 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.398 -0.167 25069 6244 1 11 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.352 -0.304 25069 6245 1 11 . 1 1 91 91 GLU H H 91 7.938 7.938 8.047 -0.109 25069 6246 1 11 . 1 1 92 92 GLY N N 92 105.912 105.912 105.592 0.320 25069 6247 1 11 . 1 1 92 92 GLY C C 92 173.288 173.288 173.518 -0.230 25069 6248 1 11 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.044 0.020 25069 6249 1 11 . 1 1 92 92 GLY H H 92 7.201 7.201 7.975 -0.774 25069 6250 1 11 . 1 1 93 93 PHE N N 93 118.877 118.877 118.970 -0.093 25069 6251 1 11 . 1 1 93 93 PHE C C 93 174.128 174.128 173.418 0.710 25069 6252 1 11 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.703 1.506 25069 6253 1 11 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.763 -2.993 25069 6254 1 11 . 1 1 93 93 PHE H H 93 7.844 7.844 7.554 0.290 25069 6255 1 11 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.711 -0.505 25069 6256 1 11 . 1 1 94 94 PRO C C 94 176.669 176.669 175.814 0.855 25069 6257 1 11 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.105 0.596 25069 6258 1 11 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.456 1.380 25069 6259 1 11 . 1 1 95 95 ASP N N 95 118.031 118.031 121.693 -3.662 25069 6260 1 11 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.666 -0.259 25069 6261 1 11 . 1 1 95 95 ASP C C 95 176.139 176.139 177.524 -1.385 25069 6262 1 11 . 1 1 95 95 ASP CA C 95 54.481 54.481 53.980 0.501 25069 6263 1 11 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.086 -1.065 25069 6264 1 11 . 1 1 95 95 ASP H H 95 8.144 8.144 8.181 -0.037 25069 6265 1 11 . 1 1 96 96 LYS N N 96 119.472 119.472 119.312 0.160 25069 6266 1 11 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.173 -0.036 25069 6267 1 11 . 1 1 96 96 LYS C C 96 176.212 176.212 176.447 -0.235 25069 6268 1 11 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.803 -1.624 25069 6269 1 11 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.099 0.684 25069 6270 1 11 . 1 1 96 96 LYS H H 96 7.980 7.980 8.449 -0.469 25069 6271 1 11 . 1 1 97 97 GLN N N 97 120.185 120.185 117.563 2.622 25069 6272 1 11 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.818 -0.397 25069 6273 1 11 . 1 1 97 97 GLN C C 97 173.700 173.700 173.669 0.031 25069 6274 1 11 . 1 1 97 97 GLN CA C 97 53.803 53.803 51.950 1.853 25069 6275 1 11 . 1 1 97 97 GLN CB C 97 28.732 28.732 29.910 -1.178 25069 6276 1 11 . 1 1 97 97 GLN H H 97 8.007 8.007 7.756 0.251 25069 6277 1 11 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.646 -0.403 25069 6278 1 11 . 1 1 98 98 PRO C C 98 176.605 176.605 175.813 0.792 25069 6279 1 11 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.347 0.667 25069 6280 1 11 . 1 1 98 98 PRO CB C 98 31.937 31.937 30.860 1.077 25069 6281 1 11 . 1 1 99 99 ARG N N 99 120.677 120.677 122.576 -1.899 25069 6282 1 11 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.386 -0.241 25069 6283 1 11 . 1 1 99 99 ARG C C 99 176.053 176.053 176.887 -0.834 25069 6284 1 11 . 1 1 99 99 ARG CA C 99 55.972 55.972 53.863 2.109 25069 6285 1 11 . 1 1 99 99 ARG CB C 99 30.894 30.894 27.713 3.181 25069 6286 1 11 . 1 1 99 99 ARG H H 99 8.254 8.254 7.829 0.425 25069 6287 1 11 . 1 1 100 100 LYS N N 100 122.775 122.775 121.575 1.200 25069 6288 1 11 . 1 1 100 100 LYS HA H 100 4.144 4.144 3.854 0.290 25069 6289 1 11 . 1 1 100 100 LYS C C 100 175.376 175.376 176.019 -0.643 25069 6290 1 11 . 1 1 100 100 LYS CA C 100 56.396 56.396 58.420 -2.024 25069 6291 1 11 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.114 1.175 25069 6292 1 11 . 1 1 100 100 LYS H H 100 8.230 8.230 8.684 -0.454 25069 6293 1 12 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.575 -0.366 25069 6294 1 12 . 1 1 2 2 ALA C C 2 173.983 173.983 177.515 -3.532 25069 6295 1 12 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.369 0.233 25069 6296 1 12 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.650 2.226 25069 6297 1 12 . 1 1 3 3 SER N N 3 121.630 121.630 119.896 1.734 25069 6298 1 12 . 1 1 3 3 SER C C 3 172.689 172.689 173.843 -1.154 25069 6299 1 12 . 1 1 3 3 SER CA C 3 56.943 56.943 58.982 -2.039 25069 6300 1 12 . 1 1 3 3 SER CB C 3 63.102 63.102 61.301 1.801 25069 6301 1 12 . 1 1 3 3 SER H H 3 9.907 9.907 7.939 1.968 25069 6302 1 12 . 1 1 4 4 PRO C C 4 179.695 179.695 177.978 1.717 25069 6303 1 12 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.567 0.167 25069 6304 1 12 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.466 0.314 25069 6305 1 12 . 1 1 5 5 LEU N N 5 118.522 118.522 118.463 0.059 25069 6306 1 12 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.979 0.052 25069 6307 1 12 . 1 1 5 5 LEU C C 5 177.968 177.968 178.389 -0.421 25069 6308 1 12 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.147 -0.499 25069 6309 1 12 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.805 0.830 25069 6310 1 12 . 1 1 5 5 LEU H H 5 8.277 8.277 7.579 0.698 25069 6311 1 12 . 1 1 6 6 GLU N N 6 118.997 118.997 117.579 1.418 25069 6312 1 12 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.963 -0.267 25069 6313 1 12 . 1 1 6 6 GLU C C 6 180.177 180.177 179.025 1.152 25069 6314 1 12 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.073 1.266 25069 6315 1 12 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.067 0.767 25069 6316 1 12 . 1 1 6 6 GLU H H 6 8.130 8.130 7.894 0.236 25069 6317 1 12 . 1 1 7 7 LYS N N 7 117.838 117.838 118.252 -0.414 25069 6318 1 12 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.196 -0.200 25069 6319 1 12 . 1 1 7 7 LYS C C 7 178.764 178.764 178.742 0.022 25069 6320 1 12 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.946 1.410 25069 6321 1 12 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.842 0.317 25069 6322 1 12 . 1 1 7 7 LYS H H 7 8.341 8.341 7.792 0.549 25069 6323 1 12 . 1 1 8 8 ALA N N 8 122.327 122.327 122.219 0.108 25069 6324 1 12 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.205 -0.226 25069 6325 1 12 . 1 1 8 8 ALA C C 8 179.482 179.482 179.430 0.052 25069 6326 1 12 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.480 0.688 25069 6327 1 12 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.061 0.233 25069 6328 1 12 . 1 1 8 8 ALA H H 8 8.082 8.082 7.984 0.098 25069 6329 1 12 . 1 1 9 9 LEU N N 9 118.212 118.212 118.481 -0.269 25069 6330 1 12 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.890 0.057 25069 6331 1 12 . 1 1 9 9 LEU C C 9 178.844 178.844 178.462 0.382 25069 6332 1 12 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.525 0.684 25069 6333 1 12 . 1 1 9 9 LEU CB C 9 41.616 41.616 40.989 0.627 25069 6334 1 12 . 1 1 9 9 LEU H H 9 8.042 8.042 7.792 0.250 25069 6335 1 12 . 1 1 10 10 ASP N N 10 117.997 117.997 119.682 -1.685 25069 6336 1 12 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.418 -0.031 25069 6337 1 12 . 1 1 10 10 ASP C C 10 179.582 179.582 178.661 0.921 25069 6338 1 12 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.652 0.118 25069 6339 1 12 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.181 -0.187 25069 6340 1 12 . 1 1 10 10 ASP H H 10 7.587 7.587 7.632 -0.045 25069 6341 1 12 . 1 1 11 11 VAL N N 11 120.702 120.702 119.549 1.153 25069 6342 1 12 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.874 -0.138 25069 6343 1 12 . 1 1 11 11 VAL C C 11 180.061 180.061 177.999 2.062 25069 6344 1 12 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.507 0.637 25069 6345 1 12 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.618 0.008 25069 6346 1 12 . 1 1 11 11 VAL H H 11 8.099 8.099 7.605 0.494 25069 6347 1 12 . 1 1 12 12 MET N N 12 123.185 123.185 120.019 3.166 25069 6348 1 12 . 1 1 12 12 MET HA H 12 3.921 3.921 4.383 -0.462 25069 6349 1 12 . 1 1 12 12 MET C C 12 178.871 178.871 178.079 0.792 25069 6350 1 12 . 1 1 12 12 MET CA C 12 60.784 60.784 59.059 1.725 25069 6351 1 12 . 1 1 12 12 MET CB C 12 32.579 32.579 32.215 0.364 25069 6352 1 12 . 1 1 12 12 MET H H 12 8.454 8.454 7.778 0.676 25069 6353 1 12 . 1 1 13 13 VAL N N 13 118.900 118.900 121.238 -2.338 25069 6354 1 12 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.843 0.082 25069 6355 1 12 . 1 1 13 13 VAL C C 13 177.712 177.712 178.379 -0.667 25069 6356 1 12 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.622 0.058 25069 6357 1 12 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.377 1.870 25069 6358 1 12 . 1 1 13 13 VAL H H 13 8.117 8.117 7.738 0.379 25069 6359 1 12 . 1 1 14 14 SER N N 14 114.675 114.675 115.740 -1.065 25069 6360 1 12 . 1 1 14 14 SER HA H 14 3.966 3.966 4.064 -0.098 25069 6361 1 12 . 1 1 14 14 SER C C 14 178.306 178.306 176.803 1.503 25069 6362 1 12 . 1 1 14 14 SER CA C 14 61.937 61.937 61.685 0.252 25069 6363 1 12 . 1 1 14 14 SER CB C 14 62.474 62.474 62.841 -0.367 25069 6364 1 12 . 1 1 14 14 SER H H 14 8.935 8.935 7.727 1.208 25069 6365 1 12 . 1 1 15 15 THR N N 15 117.582 117.582 119.797 -2.215 25069 6366 1 12 . 1 1 15 15 THR HA H 15 4.190 4.190 3.925 0.265 25069 6367 1 12 . 1 1 15 15 THR C C 15 174.459 174.459 175.999 -1.540 25069 6368 1 12 . 1 1 15 15 THR CA C 15 67.683 67.683 67.014 0.669 25069 6369 1 12 . 1 1 15 15 THR CB C 15 68.187 68.187 68.887 -0.700 25069 6370 1 12 . 1 1 15 15 THR H H 15 8.543 8.543 8.422 0.121 25069 6371 1 12 . 1 1 16 16 PHE N N 16 118.606 118.606 121.595 -2.989 25069 6372 1 12 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.691 -0.322 25069 6373 1 12 . 1 1 16 16 PHE C C 16 176.480 176.480 176.677 -0.197 25069 6374 1 12 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.478 1.003 25069 6375 1 12 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.850 0.386 25069 6376 1 12 . 1 1 16 16 PHE H H 16 6.809 6.809 7.901 -1.092 25069 6377 1 12 . 1 1 17 17 HIS N N 17 114.536 114.536 117.653 -3.117 25069 6378 1 12 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.362 0.364 25069 6379 1 12 . 1 1 17 17 HIS C C 17 177.124 177.124 177.718 -0.594 25069 6380 1 12 . 1 1 17 17 HIS CA C 17 57.727 57.727 58.147 -0.420 25069 6381 1 12 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.593 0.555 25069 6382 1 12 . 1 1 17 17 HIS H H 17 6.955 6.955 8.117 -1.162 25069 6383 1 12 . 1 1 18 18 LYS N N 18 120.739 120.739 120.360 0.379 25069 6384 1 12 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.063 -0.345 25069 6385 1 12 . 1 1 18 18 LYS C C 18 177.006 177.006 177.762 -0.756 25069 6386 1 12 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.825 0.043 25069 6387 1 12 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.120 -0.006 25069 6388 1 12 . 1 1 18 18 LYS H H 18 7.820 7.820 7.550 0.270 25069 6389 1 12 . 1 1 19 19 TYR N N 19 112.545 112.545 115.950 -3.405 25069 6390 1 12 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.330 -0.191 25069 6391 1 12 . 1 1 19 19 TYR C C 19 176.218 176.218 177.417 -1.199 25069 6392 1 12 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.120 -0.222 25069 6393 1 12 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.356 1.101 25069 6394 1 12 . 1 1 19 19 TYR H H 19 6.730 6.730 7.671 -0.941 25069 6395 1 12 . 1 1 20 20 SER N N 20 113.404 113.404 114.188 -0.784 25069 6396 1 12 . 1 1 20 20 SER HA H 20 3.385 3.385 4.629 -1.244 25069 6397 1 12 . 1 1 20 20 SER C C 20 176.961 176.961 176.303 0.658 25069 6398 1 12 . 1 1 20 20 SER CA C 20 61.866 61.866 59.583 2.283 25069 6399 1 12 . 1 1 20 20 SER CB C 20 60.904 60.904 63.005 -2.101 25069 6400 1 12 . 1 1 20 20 SER H H 20 8.493 8.493 8.188 0.305 25069 6401 1 12 . 1 1 21 21 GLY N N 21 109.001 109.001 108.615 0.386 25069 6402 1 12 . 1 1 21 21 GLY C C 21 173.502 173.502 174.642 -1.140 25069 6403 1 12 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.952 0.587 25069 6404 1 12 . 1 1 21 21 GLY H H 21 7.512 7.512 7.667 -0.155 25069 6405 1 12 . 1 1 22 22 LYS N N 22 120.754 120.754 118.749 2.005 25069 6406 1 12 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.432 -0.637 25069 6407 1 12 . 1 1 22 22 LYS C C 22 177.354 177.354 176.563 0.791 25069 6408 1 12 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.135 2.872 25069 6409 1 12 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.923 -0.940 25069 6410 1 12 . 1 1 22 22 LYS H H 22 6.958 6.958 7.829 -0.871 25069 6411 1 12 . 1 1 23 23 GLU N N 23 115.305 115.305 118.662 -3.357 25069 6412 1 12 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.411 0.047 25069 6413 1 12 . 1 1 23 23 GLU C C 23 176.733 176.733 175.865 0.868 25069 6414 1 12 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.142 -0.706 25069 6415 1 12 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.098 2.256 25069 6416 1 12 . 1 1 23 23 GLU H H 23 9.425 9.425 8.671 0.754 25069 6417 1 12 . 1 1 24 24 GLY N N 24 112.542 112.542 112.328 0.214 25069 6418 1 12 . 1 1 24 24 GLY C C 24 173.486 173.486 174.375 -0.889 25069 6419 1 12 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.461 -0.119 25069 6420 1 12 . 1 1 24 24 GLY H H 24 8.879 8.879 8.508 0.371 25069 6421 1 12 . 1 1 25 25 ASP N N 25 125.117 125.117 122.441 2.676 25069 6422 1 12 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.882 -0.599 25069 6423 1 12 . 1 1 25 25 ASP C C 25 179.177 179.177 176.045 3.132 25069 6424 1 12 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.398 1.716 25069 6425 1 12 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.075 -0.339 25069 6426 1 12 . 1 1 25 25 ASP H H 25 8.423 8.423 8.170 0.253 25069 6427 1 12 . 1 1 26 26 LYS N N 26 131.175 131.175 117.429 13.746 25069 6428 1 12 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.787 -0.591 25069 6429 1 12 . 1 1 26 26 LYS C C 26 176.638 176.638 176.150 0.488 25069 6430 1 12 . 1 1 26 26 LYS CA C 26 57.968 57.968 57.722 0.246 25069 6431 1 12 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.595 -2.372 25069 6432 1 12 . 1 1 26 26 LYS H H 26 9.247 9.247 8.770 0.477 25069 6433 1 12 . 1 1 27 27 PHE N N 27 118.593 118.593 117.767 0.826 25069 6434 1 12 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.147 -0.448 25069 6435 1 12 . 1 1 27 27 PHE C C 27 173.452 173.452 174.512 -1.060 25069 6436 1 12 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.006 -0.974 25069 6437 1 12 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.267 -1.176 25069 6438 1 12 . 1 1 27 27 PHE H H 27 9.335 9.335 8.524 0.811 25069 6439 1 12 . 1 1 28 28 LYS N N 28 113.854 113.854 119.698 -5.844 25069 6440 1 12 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.419 -0.415 25069 6441 1 12 . 1 1 28 28 LYS C C 28 174.468 174.468 175.241 -0.773 25069 6442 1 12 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.346 -0.060 25069 6443 1 12 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.269 1.749 25069 6444 1 12 . 1 1 28 28 LYS H H 28 6.985 6.985 7.798 -0.813 25069 6445 1 12 . 1 1 29 29 LEU N N 29 124.858 124.858 125.924 -1.066 25069 6446 1 12 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.850 0.163 25069 6447 1 12 . 1 1 29 29 LEU C C 29 175.791 175.791 176.672 -0.881 25069 6448 1 12 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.510 -0.911 25069 6449 1 12 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.466 2.091 25069 6450 1 12 . 1 1 29 29 LEU H H 29 9.454 9.454 9.129 0.325 25069 6451 1 12 . 1 1 30 30 ASN N N 30 122.896 122.896 122.650 0.246 25069 6452 1 12 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.133 -0.555 25069 6453 1 12 . 1 1 30 30 ASN C C 30 174.969 174.969 176.754 -1.785 25069 6454 1 12 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.053 -0.955 25069 6455 1 12 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.522 -2.164 25069 6456 1 12 . 1 1 30 30 ASN H H 30 9.560 9.560 8.209 1.351 25069 6457 1 12 . 1 1 31 31 LYS N N 31 115.136 115.136 119.500 -4.364 25069 6458 1 12 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.754 0.116 25069 6459 1 12 . 1 1 31 31 LYS C C 31 177.992 177.992 178.288 -0.296 25069 6460 1 12 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.668 0.367 25069 6461 1 12 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.658 0.547 25069 6462 1 12 . 1 1 31 31 LYS H H 31 8.204 8.204 8.747 -0.543 25069 6463 1 12 . 1 1 32 32 SER N N 32 113.755 113.755 114.303 -0.548 25069 6464 1 12 . 1 1 32 32 SER HA H 32 3.939 3.939 4.026 -0.087 25069 6465 1 12 . 1 1 32 32 SER C C 32 177.484 177.484 176.263 1.221 25069 6466 1 12 . 1 1 32 32 SER CA C 32 61.374 61.374 61.726 -0.352 25069 6467 1 12 . 1 1 32 32 SER CB C 32 62.733 62.733 62.674 0.059 25069 6468 1 12 . 1 1 32 32 SER H H 32 7.575 7.575 8.111 -0.536 25069 6469 1 12 . 1 1 33 33 GLU N N 33 122.657 122.657 122.248 0.409 25069 6470 1 12 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.128 -0.215 25069 6471 1 12 . 1 1 33 33 GLU C C 33 178.560 178.560 179.182 -0.622 25069 6472 1 12 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.935 -0.093 25069 6473 1 12 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.430 1.769 25069 6474 1 12 . 1 1 33 33 GLU H H 33 8.608 8.608 7.729 0.879 25069 6475 1 12 . 1 1 34 34 LEU N N 34 117.375 117.375 121.455 -4.080 25069 6476 1 12 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.823 -0.018 25069 6477 1 12 . 1 1 34 34 LEU C C 34 177.693 177.693 178.187 -0.494 25069 6478 1 12 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.189 -0.413 25069 6479 1 12 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.730 -0.033 25069 6480 1 12 . 1 1 34 34 LEU H H 34 8.859 8.859 8.614 0.244 25069 6481 1 12 . 1 1 35 35 LYS N N 35 117.418 117.418 119.111 -1.693 25069 6482 1 12 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.728 -0.202 25069 6483 1 12 . 1 1 35 35 LYS C C 35 179.129 179.129 178.892 0.237 25069 6484 1 12 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.511 -0.346 25069 6485 1 12 . 1 1 35 35 LYS CB C 35 31.759 31.759 32.050 -0.291 25069 6486 1 12 . 1 1 35 35 LYS H H 35 7.901 7.901 8.304 -0.403 25069 6487 1 12 . 1 1 36 36 GLU N N 36 120.491 120.491 119.588 0.903 25069 6488 1 12 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.041 -0.322 25069 6489 1 12 . 1 1 36 36 GLU C C 36 176.354 176.354 179.272 -2.918 25069 6490 1 12 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.239 0.730 25069 6491 1 12 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.741 -0.348 25069 6492 1 12 . 1 1 36 36 GLU H H 36 7.619 7.619 8.180 -0.561 25069 6493 1 12 . 1 1 37 37 LEU N N 37 120.058 120.058 121.084 -1.026 25069 6494 1 12 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.967 -0.542 25069 6495 1 12 . 1 1 37 37 LEU C C 37 179.412 179.412 178.514 0.898 25069 6496 1 12 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.693 1.744 25069 6497 1 12 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.611 0.193 25069 6498 1 12 . 1 1 37 37 LEU H H 37 7.762 7.762 8.208 -0.446 25069 6499 1 12 . 1 1 38 38 LEU N N 38 116.987 116.987 119.224 -2.237 25069 6500 1 12 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.041 -0.376 25069 6501 1 12 . 1 1 38 38 LEU C C 38 178.279 178.279 179.588 -1.309 25069 6502 1 12 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.352 0.326 25069 6503 1 12 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.858 1.456 25069 6504 1 12 . 1 1 38 38 LEU H H 38 8.532 8.532 8.489 0.043 25069 6505 1 12 . 1 1 39 39 THR N N 39 108.650 108.650 110.911 -2.261 25069 6506 1 12 . 1 1 39 39 THR HA H 39 3.693 3.693 3.936 -0.243 25069 6507 1 12 . 1 1 39 39 THR C C 39 176.231 176.231 176.847 -0.616 25069 6508 1 12 . 1 1 39 39 THR CA C 39 65.997 65.997 65.828 0.169 25069 6509 1 12 . 1 1 39 39 THR CB C 39 69.618 69.618 68.776 0.842 25069 6510 1 12 . 1 1 39 39 THR H H 39 7.883 7.883 8.578 -0.695 25069 6511 1 12 . 1 1 40 40 ARG N N 40 115.482 115.482 119.711 -4.229 25069 6512 1 12 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.240 -0.088 25069 6513 1 12 . 1 1 40 40 ARG C C 40 178.520 178.520 178.464 0.056 25069 6514 1 12 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.371 -0.336 25069 6515 1 12 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.683 0.562 25069 6516 1 12 . 1 1 40 40 ARG H H 40 8.015 8.015 8.093 -0.078 25069 6517 1 12 . 1 1 41 41 GLU N N 41 112.106 112.106 116.611 -4.505 25069 6518 1 12 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.364 0.470 25069 6519 1 12 . 1 1 41 41 GLU C C 41 177.856 177.856 177.015 0.841 25069 6520 1 12 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.861 -1.663 25069 6521 1 12 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.687 -0.366 25069 6522 1 12 . 1 1 41 41 GLU H H 41 8.463 8.463 8.417 0.046 25069 6523 1 12 . 1 1 42 42 LEU N N 42 119.287 119.287 121.191 -1.904 25069 6524 1 12 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.940 0.112 25069 6525 1 12 . 1 1 42 42 LEU C C 42 174.457 174.457 174.580 -0.123 25069 6526 1 12 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.354 0.484 25069 6527 1 12 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.106 1.977 25069 6528 1 12 . 1 1 42 42 LEU H H 42 7.688 7.688 7.677 0.011 25069 6529 1 12 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.317 -0.113 25069 6530 1 12 . 1 1 43 43 PRO C C 43 179.969 179.969 178.774 1.195 25069 6531 1 12 . 1 1 43 43 PRO CA C 43 65.689 65.689 66.042 -0.353 25069 6532 1 12 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.943 -1.116 25069 6533 1 12 . 1 1 44 44 SER N N 44 114.352 114.352 113.644 0.708 25069 6534 1 12 . 1 1 44 44 SER HA H 44 4.093 4.093 4.212 -0.119 25069 6535 1 12 . 1 1 44 44 SER C C 44 175.709 175.709 176.401 -0.692 25069 6536 1 12 . 1 1 44 44 SER CA C 44 60.793 60.793 61.108 -0.315 25069 6537 1 12 . 1 1 44 44 SER CB C 44 62.400 62.400 62.769 -0.369 25069 6538 1 12 . 1 1 44 44 SER H H 44 8.674 8.674 8.436 0.238 25069 6539 1 12 . 1 1 45 45 PHE N N 45 121.558 121.558 121.295 0.263 25069 6540 1 12 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.377 -0.225 25069 6541 1 12 . 1 1 45 45 PHE C C 45 176.441 176.441 176.631 -0.190 25069 6542 1 12 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.901 -0.567 25069 6543 1 12 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.204 0.585 25069 6544 1 12 . 1 1 45 45 PHE H H 45 7.952 7.952 8.178 -0.226 25069 6545 1 12 . 1 1 46 46 LEU N N 46 117.590 117.590 117.013 0.577 25069 6546 1 12 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.428 -0.592 25069 6547 1 12 . 1 1 46 46 LEU C C 46 178.236 178.236 179.308 -1.072 25069 6548 1 12 . 1 1 46 46 LEU CA C 46 56.144 56.144 56.050 0.094 25069 6549 1 12 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.614 -0.098 25069 6550 1 12 . 1 1 46 46 LEU H H 46 7.906 7.906 8.377 -0.471 25069 6551 1 12 . 1 1 47 47 GLY N N 47 104.817 104.817 107.674 -2.857 25069 6552 1 12 . 1 1 47 47 GLY C C 47 174.665 174.665 175.715 -1.050 25069 6553 1 12 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.699 -0.714 25069 6554 1 12 . 1 1 47 47 GLY H H 47 7.646 7.646 7.826 -0.180 25069 6555 1 12 . 1 1 48 48 LYS N N 48 120.422 120.422 119.751 0.671 25069 6556 1 12 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.081 0.071 25069 6557 1 12 . 1 1 48 48 LYS C C 48 177.029 177.029 176.725 0.304 25069 6558 1 12 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.439 -0.959 25069 6559 1 12 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.977 -0.725 25069 6560 1 12 . 1 1 48 48 LYS H H 48 8.400 8.400 7.260 1.140 25069 6561 1 12 . 1 1 49 49 ARG N N 49 119.815 119.815 119.173 0.642 25069 6562 1 12 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.565 -0.262 25069 6563 1 12 . 1 1 49 49 ARG C C 49 175.183 175.183 174.918 0.265 25069 6564 1 12 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.864 -0.165 25069 6565 1 12 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.976 -1.469 25069 6566 1 12 . 1 1 49 49 ARG H H 49 7.801 7.801 7.769 0.032 25069 6567 1 12 . 1 1 50 50 THR N N 50 110.525 110.525 115.971 -5.446 25069 6568 1 12 . 1 1 50 50 THR HA H 50 4.091 4.091 4.469 -0.378 25069 6569 1 12 . 1 1 50 50 THR C C 50 174.108 174.108 174.172 -0.064 25069 6570 1 12 . 1 1 50 50 THR CA C 50 61.579 61.579 61.431 0.148 25069 6571 1 12 . 1 1 50 50 THR CB C 50 69.136 69.136 68.380 0.756 25069 6572 1 12 . 1 1 50 50 THR H H 50 7.808 7.808 8.477 -0.669 25069 6573 1 12 . 1 1 51 51 ASP N N 51 121.073 121.073 123.297 -2.224 25069 6574 1 12 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.795 -0.235 25069 6575 1 12 . 1 1 51 51 ASP C C 51 175.715 175.715 176.846 -1.131 25069 6576 1 12 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.531 -0.477 25069 6577 1 12 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.792 -0.981 25069 6578 1 12 . 1 1 51 51 ASP H H 51 7.924 7.924 7.541 0.383 25069 6579 1 12 . 1 1 52 52 GLU N N 52 120.418 120.418 120.781 -0.363 25069 6580 1 12 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.300 -0.258 25069 6581 1 12 . 1 1 52 52 GLU C C 52 178.726 178.726 178.290 0.436 25069 6582 1 12 . 1 1 52 52 GLU CA C 52 59.560 59.560 59.636 -0.076 25069 6583 1 12 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.614 -0.230 25069 6584 1 12 . 1 1 52 52 GLU H H 52 8.515 8.515 8.905 -0.390 25069 6585 1 12 . 1 1 53 53 ALA N N 53 120.807 120.807 122.452 -1.645 25069 6586 1 12 . 1 1 53 53 ALA HA H 53 4.036 4.036 3.929 0.107 25069 6587 1 12 . 1 1 53 53 ALA C C 53 180.416 180.416 179.297 1.119 25069 6588 1 12 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.586 0.555 25069 6589 1 12 . 1 1 53 53 ALA CB C 53 17.944 17.944 17.905 0.039 25069 6590 1 12 . 1 1 53 53 ALA H H 53 8.242 8.242 8.253 -0.011 25069 6591 1 12 . 1 1 54 54 ALA N N 54 121.069 121.069 122.842 -1.773 25069 6592 1 12 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.111 -0.184 25069 6593 1 12 . 1 1 54 54 ALA C C 54 180.846 180.846 179.350 1.496 25069 6594 1 12 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.840 0.137 25069 6595 1 12 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.127 0.210 25069 6596 1 12 . 1 1 54 54 ALA H H 54 7.874 7.874 7.975 -0.101 25069 6597 1 12 . 1 1 55 55 PHE N N 55 118.066 118.066 118.039 0.027 25069 6598 1 12 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.132 -0.165 25069 6599 1 12 . 1 1 55 55 PHE C C 55 177.160 177.160 177.731 -0.571 25069 6600 1 12 . 1 1 55 55 PHE CA C 55 62.029 62.029 60.171 1.858 25069 6601 1 12 . 1 1 55 55 PHE CB C 55 38.832 38.832 37.877 0.955 25069 6602 1 12 . 1 1 55 55 PHE H H 55 8.013 8.013 7.941 0.072 25069 6603 1 12 . 1 1 56 56 GLN N N 56 118.474 118.474 120.369 -1.895 25069 6604 1 12 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.770 -0.030 25069 6605 1 12 . 1 1 56 56 GLN C C 56 178.531 178.531 178.287 0.244 25069 6606 1 12 . 1 1 56 56 GLN CA C 56 58.832 58.832 58.771 0.061 25069 6607 1 12 . 1 1 56 56 GLN CB C 56 27.854 27.854 27.841 0.013 25069 6608 1 12 . 1 1 56 56 GLN H H 56 8.265 8.265 7.167 1.098 25069 6609 1 12 . 1 1 57 57 LYS N N 57 119.207 119.207 120.445 -1.238 25069 6610 1 12 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.011 -0.158 25069 6611 1 12 . 1 1 57 57 LYS C C 57 178.458 178.458 179.673 -1.215 25069 6612 1 12 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.976 0.101 25069 6613 1 12 . 1 1 57 57 LYS CB C 57 32.134 32.134 31.937 0.197 25069 6614 1 12 . 1 1 57 57 LYS H H 57 7.622 7.622 8.024 -0.402 25069 6615 1 12 . 1 1 58 58 LEU N N 58 119.398 119.398 122.028 -2.630 25069 6616 1 12 . 1 1 58 58 LEU HA H 58 3.905 3.905 4.008 -0.103 25069 6617 1 12 . 1 1 58 58 LEU C C 58 178.444 178.444 178.261 0.183 25069 6618 1 12 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.961 0.160 25069 6619 1 12 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.722 -0.068 25069 6620 1 12 . 1 1 58 58 LEU H H 58 7.504 7.504 8.448 -0.944 25069 6621 1 12 . 1 1 59 59 MET N N 59 116.434 116.434 120.191 -3.757 25069 6622 1 12 . 1 1 59 59 MET HA H 59 3.614 3.614 3.976 -0.362 25069 6623 1 12 . 1 1 59 59 MET C C 59 177.513 177.513 177.916 -0.403 25069 6624 1 12 . 1 1 59 59 MET CA C 59 58.765 58.765 59.113 -0.348 25069 6625 1 12 . 1 1 59 59 MET CB C 59 31.060 31.060 32.011 -0.951 25069 6626 1 12 . 1 1 59 59 MET H H 59 8.049 8.049 8.626 -0.577 25069 6627 1 12 . 1 1 60 60 SER N N 60 111.447 111.447 114.372 -2.925 25069 6628 1 12 . 1 1 60 60 SER HA H 60 4.066 4.066 4.201 -0.135 25069 6629 1 12 . 1 1 60 60 SER C C 60 175.986 175.986 176.474 -0.488 25069 6630 1 12 . 1 1 60 60 SER CA C 60 61.416 61.416 60.993 0.423 25069 6631 1 12 . 1 1 60 60 SER CB C 60 62.945 62.945 62.361 0.584 25069 6632 1 12 . 1 1 60 60 SER H H 60 7.839 7.839 8.344 -0.505 25069 6633 1 12 . 1 1 61 61 ASN N N 61 117.559 117.559 119.911 -2.352 25069 6634 1 12 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.635 -0.285 25069 6635 1 12 . 1 1 61 61 ASN C C 61 176.377 176.377 177.190 -0.813 25069 6636 1 12 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.323 -0.320 25069 6637 1 12 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.773 0.100 25069 6638 1 12 . 1 1 61 61 ASN H H 61 7.615 7.615 7.734 -0.119 25069 6639 1 12 . 1 1 62 62 LEU N N 62 117.926 117.926 117.968 -0.042 25069 6640 1 12 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.212 -0.184 25069 6641 1 12 . 1 1 62 62 LEU C C 62 178.394 178.394 177.544 0.850 25069 6642 1 12 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.845 0.152 25069 6643 1 12 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.156 1.246 25069 6644 1 12 . 1 1 62 62 LEU H H 62 7.719 7.719 8.183 -0.464 25069 6645 1 12 . 1 1 63 63 ASP N N 63 115.899 115.899 118.755 -2.856 25069 6646 1 12 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.893 -0.325 25069 6647 1 12 . 1 1 63 63 ASP C C 63 176.866 176.866 176.639 0.227 25069 6648 1 12 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.122 -1.382 25069 6649 1 12 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.296 -0.810 25069 6650 1 12 . 1 1 63 63 ASP H H 63 7.707 7.707 8.196 -0.489 25069 6651 1 12 . 1 1 64 64 SER N N 64 121.158 121.158 123.732 -2.574 25069 6652 1 12 . 1 1 64 64 SER HA H 64 4.080 4.080 4.416 -0.336 25069 6653 1 12 . 1 1 64 64 SER C C 64 175.780 175.780 175.287 0.493 25069 6654 1 12 . 1 1 64 64 SER CA C 64 60.698 60.698 60.447 0.251 25069 6655 1 12 . 1 1 64 64 SER CB C 64 63.034 63.034 63.449 -0.415 25069 6656 1 12 . 1 1 64 64 SER H H 64 8.034 8.034 9.186 -1.152 25069 6657 1 12 . 1 1 65 65 ASN N N 65 115.443 115.443 118.911 -3.468 25069 6658 1 12 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.685 -0.021 25069 6659 1 12 . 1 1 65 65 ASN C C 65 174.775 174.775 174.884 -0.109 25069 6660 1 12 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.285 -1.286 25069 6661 1 12 . 1 1 65 65 ASN CB C 65 37.171 37.171 39.221 -2.050 25069 6662 1 12 . 1 1 65 65 ASN H H 65 8.055 8.055 8.129 -0.074 25069 6663 1 12 . 1 1 66 66 ARG N N 66 114.242 114.242 117.687 -3.445 25069 6664 1 12 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.161 -0.234 25069 6665 1 12 . 1 1 66 66 ARG C C 66 175.354 175.354 175.027 0.327 25069 6666 1 12 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.941 0.219 25069 6667 1 12 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.169 -0.316 25069 6668 1 12 . 1 1 66 66 ARG H H 66 7.560 7.560 8.074 -0.514 25069 6669 1 12 . 1 1 67 67 ASP N N 67 118.260 118.260 119.948 -1.688 25069 6670 1 12 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.790 -0.188 25069 6671 1 12 . 1 1 67 67 ASP C C 67 177.143 177.143 175.962 1.181 25069 6672 1 12 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.084 -0.065 25069 6673 1 12 . 1 1 67 67 ASP CB C 67 40.704 40.704 42.141 -1.437 25069 6674 1 12 . 1 1 67 67 ASP H H 67 8.406 8.406 9.335 -0.929 25069 6675 1 12 . 1 1 68 68 ASN N N 68 115.091 115.091 115.112 -0.021 25069 6676 1 12 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.395 -0.416 25069 6677 1 12 . 1 1 68 68 ASN C C 68 173.046 173.046 173.379 -0.333 25069 6678 1 12 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.905 0.432 25069 6679 1 12 . 1 1 68 68 ASN CB C 68 37.890 37.890 38.192 -0.302 25069 6680 1 12 . 1 1 68 68 ASN H H 68 10.021 10.021 8.761 1.260 25069 6681 1 12 . 1 1 69 69 GLU N N 69 115.671 115.671 117.123 -1.452 25069 6682 1 12 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.152 -0.454 25069 6683 1 12 . 1 1 69 69 GLU C C 69 175.335 175.335 175.052 0.283 25069 6684 1 12 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.957 -0.086 25069 6685 1 12 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.075 2.558 25069 6686 1 12 . 1 1 69 69 GLU H H 69 7.724 7.724 7.881 -0.157 25069 6687 1 12 . 1 1 70 70 VAL N N 70 124.606 124.606 125.229 -0.623 25069 6688 1 12 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.347 0.788 25069 6689 1 12 . 1 1 70 70 VAL C C 70 175.876 175.876 176.293 -0.417 25069 6690 1 12 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.282 -1.140 25069 6691 1 12 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.067 1.490 25069 6692 1 12 . 1 1 70 70 VAL H H 70 9.814 9.814 8.760 1.054 25069 6693 1 12 . 1 1 71 71 ASP N N 71 127.612 127.612 127.336 0.276 25069 6694 1 12 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.455 -0.430 25069 6695 1 12 . 1 1 71 71 ASP C C 71 175.018 175.018 177.699 -2.681 25069 6696 1 12 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.772 -0.211 25069 6697 1 12 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.405 -1.426 25069 6698 1 12 . 1 1 71 71 ASP H H 71 8.896 8.896 9.408 -0.512 25069 6699 1 12 . 1 1 72 72 PHE N N 72 117.738 117.738 118.325 -0.587 25069 6700 1 12 . 1 1 72 72 PHE C C 72 177.390 177.390 177.702 -0.312 25069 6701 1 12 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.418 0.608 25069 6702 1 12 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.498 0.730 25069 6703 1 12 . 1 1 72 72 PHE H H 72 8.993 8.993 8.121 0.872 25069 6704 1 12 . 1 1 73 73 GLN N N 73 120.479 120.479 118.379 2.100 25069 6705 1 12 . 1 1 73 73 GLN HA H 73 3.804 3.804 4.076 -0.272 25069 6706 1 12 . 1 1 73 73 GLN C C 73 178.583 178.583 178.240 0.343 25069 6707 1 12 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.178 0.882 25069 6708 1 12 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.668 -0.840 25069 6709 1 12 . 1 1 73 73 GLN H H 73 8.246 8.246 9.170 -0.924 25069 6710 1 12 . 1 1 74 74 GLU N N 74 120.179 120.179 119.913 0.266 25069 6711 1 12 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.069 -0.225 25069 6712 1 12 . 1 1 74 74 GLU C C 74 180.584 180.584 179.313 1.271 25069 6713 1 12 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.355 -0.342 25069 6714 1 12 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.541 0.865 25069 6715 1 12 . 1 1 74 74 GLU H H 74 8.782 8.782 9.333 -0.551 25069 6716 1 12 . 1 1 75 75 TYR N N 75 122.109 122.109 121.226 0.883 25069 6717 1 12 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.439 -0.427 25069 6718 1 12 . 1 1 75 75 TYR C C 75 175.383 175.383 177.271 -1.888 25069 6719 1 12 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.236 -1.013 25069 6720 1 12 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.732 0.058 25069 6721 1 12 . 1 1 75 75 TYR H H 75 8.619 8.619 8.620 -0.001 25069 6722 1 12 . 1 1 76 76 SER N N 76 117.790 117.790 116.254 1.536 25069 6723 1 12 . 1 1 76 76 SER HA H 76 3.326 3.326 4.040 -0.714 25069 6724 1 12 . 1 1 76 76 SER C C 76 176.930 176.930 176.523 0.407 25069 6725 1 12 . 1 1 76 76 SER CA C 76 62.377 62.377 62.493 -0.116 25069 6726 1 12 . 1 1 76 76 SER CB C 76 62.573 62.573 62.719 -0.146 25069 6727 1 12 . 1 1 76 76 SER H H 76 8.654 8.654 8.121 0.533 25069 6728 1 12 . 1 1 77 77 VAL N N 77 123.033 123.033 123.242 -0.209 25069 6729 1 12 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.872 -0.293 25069 6730 1 12 . 1 1 77 77 VAL C C 77 178.969 178.969 177.740 1.229 25069 6731 1 12 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.933 0.163 25069 6732 1 12 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.732 0.245 25069 6733 1 12 . 1 1 77 77 VAL H H 77 7.844 7.844 8.356 -0.512 25069 6734 1 12 . 1 1 78 78 PHE N N 78 121.473 121.473 121.966 -0.493 25069 6735 1 12 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.095 0.253 25069 6736 1 12 . 1 1 78 78 PHE C C 78 177.726 177.726 176.586 1.140 25069 6737 1 12 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.807 -1.478 25069 6738 1 12 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.691 -0.147 25069 6739 1 12 . 1 1 78 78 PHE H H 78 7.439 7.439 7.695 -0.256 25069 6740 1 12 . 1 1 79 79 LEU N N 79 118.574 118.574 117.308 1.266 25069 6741 1 12 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.149 0.081 25069 6742 1 12 . 1 1 79 79 LEU C C 79 178.837 178.837 178.872 -0.035 25069 6743 1 12 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.669 0.061 25069 6744 1 12 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.979 -0.527 25069 6745 1 12 . 1 1 79 79 LEU H H 79 8.298 8.298 8.024 0.274 25069 6746 1 12 . 1 1 80 80 SER N N 80 112.827 112.827 114.508 -1.681 25069 6747 1 12 . 1 1 80 80 SER HA H 80 3.978 3.978 4.025 -0.047 25069 6748 1 12 . 1 1 80 80 SER C C 80 175.796 175.796 176.678 -0.882 25069 6749 1 12 . 1 1 80 80 SER CA C 80 62.278 62.278 61.708 0.570 25069 6750 1 12 . 1 1 80 80 SER CB C 80 63.148 63.148 62.621 0.527 25069 6751 1 12 . 1 1 80 80 SER H H 80 7.728 7.728 7.940 -0.212 25069 6752 1 12 . 1 1 81 81 SER N N 81 117.584 117.584 119.170 -1.586 25069 6753 1 12 . 1 1 81 81 SER HA H 81 4.151 4.151 4.026 0.125 25069 6754 1 12 . 1 1 81 81 SER C C 81 176.761 176.761 176.635 0.126 25069 6755 1 12 . 1 1 81 81 SER CA C 81 61.673 61.673 61.772 -0.099 25069 6756 1 12 . 1 1 81 81 SER CB C 81 62.441 62.441 63.011 -0.570 25069 6757 1 12 . 1 1 81 81 SER H H 81 7.703 7.703 7.965 -0.262 25069 6758 1 12 . 1 1 82 82 ILE N N 82 122.194 122.194 121.565 0.629 25069 6759 1 12 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.549 0.099 25069 6760 1 12 . 1 1 82 82 ILE C C 82 178.743 178.743 178.033 0.710 25069 6761 1 12 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.201 -1.052 25069 6762 1 12 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.317 -0.592 25069 6763 1 12 . 1 1 82 82 ILE H H 82 7.490 7.490 7.999 -0.509 25069 6764 1 12 . 1 1 83 83 ALA N N 83 123.288 123.288 122.187 1.101 25069 6765 1 12 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.934 -0.120 25069 6766 1 12 . 1 1 83 83 ALA C C 83 179.019 179.019 179.717 -0.698 25069 6767 1 12 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.036 0.491 25069 6768 1 12 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.167 -0.518 25069 6769 1 12 . 1 1 83 83 ALA H H 83 8.190 8.190 7.586 0.604 25069 6770 1 12 . 1 1 84 84 MET N N 84 114.549 114.549 118.345 -3.796 25069 6771 1 12 . 1 1 84 84 MET HA H 84 4.660 4.660 4.004 0.656 25069 6772 1 12 . 1 1 84 84 MET C C 84 174.776 174.776 178.616 -3.840 25069 6773 1 12 . 1 1 84 84 MET CA C 84 58.603 58.603 59.490 -0.888 25069 6774 1 12 . 1 1 84 84 MET CB C 84 37.147 37.147 32.605 4.542 25069 6775 1 12 . 1 1 84 84 MET H H 84 8.060 8.060 8.441 -0.381 25069 6776 1 12 . 1 1 85 85 MET N N 85 114.638 114.638 118.510 -3.872 25069 6777 1 12 . 1 1 85 85 MET HA H 85 4.079 4.079 4.251 -0.172 25069 6778 1 12 . 1 1 85 85 MET C C 85 178.153 178.153 179.472 -1.319 25069 6779 1 12 . 1 1 85 85 MET CA C 85 58.444 58.444 57.065 1.379 25069 6780 1 12 . 1 1 85 85 MET CB C 85 32.523 32.523 31.053 1.470 25069 6781 1 12 . 1 1 85 85 MET H H 85 8.097 8.097 8.663 -0.566 25069 6782 1 12 . 1 1 86 86 SER N N 86 114.719 114.719 115.895 -1.176 25069 6783 1 12 . 1 1 86 86 SER HA H 86 4.184 4.184 4.180 0.004 25069 6784 1 12 . 1 1 86 86 SER C C 86 176.656 176.656 176.856 -0.200 25069 6785 1 12 . 1 1 86 86 SER CA C 86 60.867 60.867 62.344 -1.477 25069 6786 1 12 . 1 1 86 86 SER CB C 86 63.250 63.250 62.845 0.405 25069 6787 1 12 . 1 1 86 86 SER H H 86 8.119 8.119 8.725 -0.606 25069 6788 1 12 . 1 1 87 87 ASN N N 87 119.754 119.754 119.385 0.369 25069 6789 1 12 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.762 -0.184 25069 6790 1 12 . 1 1 87 87 ASN C C 87 176.062 176.062 177.470 -1.408 25069 6791 1 12 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.776 0.400 25069 6792 1 12 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.967 -0.219 25069 6793 1 12 . 1 1 87 87 ASN H H 87 8.328 8.328 7.768 0.560 25069 6794 1 12 . 1 1 88 88 GLU N N 88 117.928 117.928 120.949 -3.021 25069 6795 1 12 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.444 -0.705 25069 6796 1 12 . 1 1 88 88 GLU C C 88 177.870 177.870 178.968 -1.098 25069 6797 1 12 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.118 -0.186 25069 6798 1 12 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.640 -0.359 25069 6799 1 12 . 1 1 88 88 GLU H H 88 7.747 7.747 8.706 -0.959 25069 6800 1 12 . 1 1 89 89 PHE N N 89 116.133 116.133 119.856 -3.723 25069 6801 1 12 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.292 -0.123 25069 6802 1 12 . 1 1 89 89 PHE C C 89 176.404 176.404 176.390 0.014 25069 6803 1 12 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.596 -0.540 25069 6804 1 12 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.554 -0.712 25069 6805 1 12 . 1 1 89 89 PHE H H 89 7.465 7.465 8.097 -0.632 25069 6806 1 12 . 1 1 90 90 PHE N N 90 119.130 119.130 120.586 -1.456 25069 6807 1 12 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.152 -0.097 25069 6808 1 12 . 1 1 90 90 PHE C C 90 176.420 176.420 176.391 0.029 25069 6809 1 12 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.572 -0.801 25069 6810 1 12 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.220 0.093 25069 6811 1 12 . 1 1 90 90 PHE H H 90 7.537 7.537 7.807 -0.270 25069 6812 1 12 . 1 1 91 91 GLU N N 91 118.971 118.971 117.787 1.184 25069 6813 1 12 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.024 -0.284 25069 6814 1 12 . 1 1 91 91 GLU C C 91 176.491 176.491 177.270 -0.779 25069 6815 1 12 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.460 -0.229 25069 6816 1 12 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.095 -0.047 25069 6817 1 12 . 1 1 91 91 GLU H H 91 7.938 7.938 8.205 -0.267 25069 6818 1 12 . 1 1 92 92 GLY N N 92 105.912 105.912 105.778 0.134 25069 6819 1 12 . 1 1 92 92 GLY C C 92 173.288 173.288 173.417 -0.129 25069 6820 1 12 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.933 0.131 25069 6821 1 12 . 1 1 92 92 GLY H H 92 7.201 7.201 7.392 -0.191 25069 6822 1 12 . 1 1 93 93 PHE N N 93 118.877 118.877 118.795 0.082 25069 6823 1 12 . 1 1 93 93 PHE C C 93 174.128 174.128 173.324 0.804 25069 6824 1 12 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.645 1.563 25069 6825 1 12 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.468 -2.698 25069 6826 1 12 . 1 1 93 93 PHE H H 93 7.844 7.844 7.440 0.404 25069 6827 1 12 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.858 -0.652 25069 6828 1 12 . 1 1 94 94 PRO C C 94 176.669 176.669 176.271 0.398 25069 6829 1 12 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.154 0.547 25069 6830 1 12 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.904 0.933 25069 6831 1 12 . 1 1 95 95 ASP N N 95 118.031 118.031 123.284 -5.253 25069 6832 1 12 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.718 -0.311 25069 6833 1 12 . 1 1 95 95 ASP C C 95 176.139 176.139 177.223 -1.084 25069 6834 1 12 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.501 -0.020 25069 6835 1 12 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.768 -1.747 25069 6836 1 12 . 1 1 95 95 ASP H H 95 8.144 8.144 9.438 -1.294 25069 6837 1 12 . 1 1 96 96 LYS N N 96 119.472 119.472 118.768 0.704 25069 6838 1 12 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.347 -0.210 25069 6839 1 12 . 1 1 96 96 LYS C C 96 176.212 176.212 176.369 -0.157 25069 6840 1 12 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.104 -0.925 25069 6841 1 12 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.520 0.264 25069 6842 1 12 . 1 1 96 96 LYS H H 96 7.980 7.980 7.703 0.277 25069 6843 1 12 . 1 1 97 97 GLN N N 97 120.185 120.185 119.254 0.931 25069 6844 1 12 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.744 -0.323 25069 6845 1 12 . 1 1 97 97 GLN C C 97 173.700 173.700 173.477 0.223 25069 6846 1 12 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.373 1.430 25069 6847 1 12 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.257 0.475 25069 6848 1 12 . 1 1 97 97 GLN H H 97 8.007 8.007 7.684 0.323 25069 6849 1 12 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.438 -0.195 25069 6850 1 12 . 1 1 98 98 PRO C C 98 176.605 176.605 176.820 -0.215 25069 6851 1 12 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.304 -0.290 25069 6852 1 12 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.936 0.001 25069 6853 1 12 . 1 1 99 99 ARG N N 99 120.677 120.677 124.560 -3.883 25069 6854 1 12 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.251 -0.106 25069 6855 1 12 . 1 1 99 99 ARG C C 99 176.053 176.053 176.388 -0.335 25069 6856 1 12 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.438 -1.466 25069 6857 1 12 . 1 1 99 99 ARG CB C 99 30.894 30.894 29.510 1.384 25069 6858 1 12 . 1 1 99 99 ARG H H 99 8.254 8.254 8.762 -0.508 25069 6859 1 12 . 1 1 100 100 LYS N N 100 122.775 122.775 118.658 4.117 25069 6860 1 12 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.357 -0.213 25069 6861 1 12 . 1 1 100 100 LYS C C 100 175.376 175.376 175.920 -0.544 25069 6862 1 12 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.150 0.246 25069 6863 1 12 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.630 0.659 25069 6864 1 12 . 1 1 100 100 LYS H H 100 8.230 8.230 7.808 0.422 25069 6865 1 13 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.566 -0.357 25069 6866 1 13 . 1 1 2 2 ALA C C 2 173.983 173.983 177.402 -3.419 25069 6867 1 13 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.411 0.191 25069 6868 1 13 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.572 2.304 25069 6869 1 13 . 1 1 3 3 SER N N 3 121.630 121.630 121.329 0.301 25069 6870 1 13 . 1 1 3 3 SER C C 3 172.689 172.689 174.025 -1.336 25069 6871 1 13 . 1 1 3 3 SER CA C 3 56.943 56.943 58.916 -1.974 25069 6872 1 13 . 1 1 3 3 SER CB C 3 63.102 63.102 61.907 1.194 25069 6873 1 13 . 1 1 3 3 SER H H 3 9.907 9.907 8.065 1.842 25069 6874 1 13 . 1 1 4 4 PRO C C 4 179.695 179.695 177.796 1.899 25069 6875 1 13 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.757 -0.023 25069 6876 1 13 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.423 0.357 25069 6877 1 13 . 1 1 5 5 LEU N N 5 118.522 118.522 118.021 0.501 25069 6878 1 13 . 1 1 5 5 LEU HA H 5 4.031 4.031 4.002 0.029 25069 6879 1 13 . 1 1 5 5 LEU C C 5 177.968 177.968 178.158 -0.190 25069 6880 1 13 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.995 -0.346 25069 6881 1 13 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.886 0.749 25069 6882 1 13 . 1 1 5 5 LEU H H 5 8.277 8.277 7.481 0.796 25069 6883 1 13 . 1 1 6 6 GLU N N 6 118.997 118.997 118.904 0.093 25069 6884 1 13 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.988 -0.292 25069 6885 1 13 . 1 1 6 6 GLU C C 6 180.177 180.177 178.979 1.198 25069 6886 1 13 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.270 1.069 25069 6887 1 13 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.904 0.930 25069 6888 1 13 . 1 1 6 6 GLU H H 6 8.130 8.130 8.177 -0.047 25069 6889 1 13 . 1 1 7 7 LYS N N 7 117.838 117.838 118.498 -0.660 25069 6890 1 13 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.160 -0.164 25069 6891 1 13 . 1 1 7 7 LYS C C 7 178.764 178.764 178.749 0.015 25069 6892 1 13 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.907 1.448 25069 6893 1 13 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.489 0.670 25069 6894 1 13 . 1 1 7 7 LYS H H 7 8.341 8.341 7.661 0.680 25069 6895 1 13 . 1 1 8 8 ALA N N 8 122.327 122.327 122.234 0.093 25069 6896 1 13 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.216 -0.237 25069 6897 1 13 . 1 1 8 8 ALA C C 8 179.482 179.482 179.406 0.076 25069 6898 1 13 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.495 0.673 25069 6899 1 13 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.115 0.179 25069 6900 1 13 . 1 1 8 8 ALA H H 8 8.082 8.082 7.957 0.126 25069 6901 1 13 . 1 1 9 9 LEU N N 9 118.212 118.212 118.750 -0.538 25069 6902 1 13 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.912 0.035 25069 6903 1 13 . 1 1 9 9 LEU C C 9 178.844 178.844 178.798 0.046 25069 6904 1 13 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.474 0.735 25069 6905 1 13 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.077 0.539 25069 6906 1 13 . 1 1 9 9 LEU H H 9 8.042 8.042 7.800 0.242 25069 6907 1 13 . 1 1 10 10 ASP N N 10 117.997 117.997 119.026 -1.029 25069 6908 1 13 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.443 -0.056 25069 6909 1 13 . 1 1 10 10 ASP C C 10 179.582 179.582 178.665 0.917 25069 6910 1 13 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.402 0.368 25069 6911 1 13 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.077 -0.083 25069 6912 1 13 . 1 1 10 10 ASP H H 10 7.587 7.587 7.679 -0.092 25069 6913 1 13 . 1 1 11 11 VAL N N 11 120.702 120.702 119.711 0.991 25069 6914 1 13 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.829 -0.092 25069 6915 1 13 . 1 1 11 11 VAL C C 11 180.061 180.061 177.715 2.346 25069 6916 1 13 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.512 0.632 25069 6917 1 13 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.231 0.395 25069 6918 1 13 . 1 1 11 11 VAL H H 11 8.099 8.099 7.685 0.414 25069 6919 1 13 . 1 1 12 12 MET N N 12 123.185 123.185 119.842 3.343 25069 6920 1 13 . 1 1 12 12 MET HA H 12 3.921 3.921 4.389 -0.468 25069 6921 1 13 . 1 1 12 12 MET C C 12 178.871 178.871 178.144 0.727 25069 6922 1 13 . 1 1 12 12 MET CA C 12 60.784 60.784 59.160 1.624 25069 6923 1 13 . 1 1 12 12 MET CB C 12 32.579 32.579 32.149 0.430 25069 6924 1 13 . 1 1 12 12 MET H H 12 8.454 8.454 7.941 0.513 25069 6925 1 13 . 1 1 13 13 VAL N N 13 118.900 118.900 121.170 -2.270 25069 6926 1 13 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.849 0.076 25069 6927 1 13 . 1 1 13 13 VAL C C 13 177.712 177.712 178.159 -0.447 25069 6928 1 13 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.419 -0.739 25069 6929 1 13 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.119 2.127 25069 6930 1 13 . 1 1 13 13 VAL H H 13 8.117 8.117 7.730 0.387 25069 6931 1 13 . 1 1 14 14 SER N N 14 114.675 114.675 114.942 -0.267 25069 6932 1 13 . 1 1 14 14 SER HA H 14 3.966 3.966 3.567 0.399 25069 6933 1 13 . 1 1 14 14 SER C C 14 178.306 178.306 176.422 1.884 25069 6934 1 13 . 1 1 14 14 SER CA C 14 61.937 61.937 60.957 0.980 25069 6935 1 13 . 1 1 14 14 SER CB C 14 62.474 62.474 62.447 0.027 25069 6936 1 13 . 1 1 14 14 SER H H 14 8.935 8.935 7.657 1.278 25069 6937 1 13 . 1 1 15 15 THR N N 15 117.582 117.582 119.105 -1.523 25069 6938 1 13 . 1 1 15 15 THR HA H 15 4.190 4.190 3.882 0.308 25069 6939 1 13 . 1 1 15 15 THR C C 15 174.459 174.459 175.913 -1.454 25069 6940 1 13 . 1 1 15 15 THR CA C 15 67.683 67.683 67.010 0.673 25069 6941 1 13 . 1 1 15 15 THR CB C 15 68.187 68.187 68.805 -0.618 25069 6942 1 13 . 1 1 15 15 THR H H 15 8.543 8.543 8.339 0.204 25069 6943 1 13 . 1 1 16 16 PHE N N 16 118.606 118.606 121.835 -3.229 25069 6944 1 13 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.510 -0.141 25069 6945 1 13 . 1 1 16 16 PHE C C 16 176.480 176.480 176.582 -0.102 25069 6946 1 13 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.591 0.890 25069 6947 1 13 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.630 0.606 25069 6948 1 13 . 1 1 16 16 PHE H H 16 6.809 6.809 7.872 -1.063 25069 6949 1 13 . 1 1 17 17 HIS N N 17 114.536 114.536 117.036 -2.500 25069 6950 1 13 . 1 1 17 17 HIS HA H 17 4.726 4.726 3.996 0.730 25069 6951 1 13 . 1 1 17 17 HIS C C 17 177.124 177.124 176.866 0.258 25069 6952 1 13 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.742 -0.015 25069 6953 1 13 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.479 0.669 25069 6954 1 13 . 1 1 17 17 HIS H H 17 6.955 6.955 7.725 -0.770 25069 6955 1 13 . 1 1 18 18 LYS N N 18 120.739 120.739 119.966 0.773 25069 6956 1 13 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.046 -0.328 25069 6957 1 13 . 1 1 18 18 LYS C C 18 177.006 177.006 177.799 -0.793 25069 6958 1 13 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.924 -0.056 25069 6959 1 13 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.309 -0.195 25069 6960 1 13 . 1 1 18 18 LYS H H 18 7.820 7.820 7.520 0.300 25069 6961 1 13 . 1 1 19 19 TYR N N 19 112.545 112.545 115.598 -3.053 25069 6962 1 13 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.380 -0.241 25069 6963 1 13 . 1 1 19 19 TYR C C 19 176.218 176.218 177.303 -1.085 25069 6964 1 13 . 1 1 19 19 TYR CA C 19 59.898 59.898 59.578 0.320 25069 6965 1 13 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.269 1.188 25069 6966 1 13 . 1 1 19 19 TYR H H 19 6.730 6.730 7.634 -0.904 25069 6967 1 13 . 1 1 20 20 SER N N 20 113.404 113.404 114.510 -1.106 25069 6968 1 13 . 1 1 20 20 SER HA H 20 3.385 3.385 4.418 -1.033 25069 6969 1 13 . 1 1 20 20 SER C C 20 176.961 176.961 175.831 1.130 25069 6970 1 13 . 1 1 20 20 SER CA C 20 61.866 61.866 59.677 2.189 25069 6971 1 13 . 1 1 20 20 SER CB C 20 60.904 60.904 62.611 -1.707 25069 6972 1 13 . 1 1 20 20 SER H H 20 8.493 8.493 8.099 0.394 25069 6973 1 13 . 1 1 21 21 GLY N N 21 109.001 109.001 108.782 0.219 25069 6974 1 13 . 1 1 21 21 GLY C C 21 173.502 173.502 174.439 -0.937 25069 6975 1 13 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.824 0.716 25069 6976 1 13 . 1 1 21 21 GLY H H 21 7.512 7.512 7.619 -0.107 25069 6977 1 13 . 1 1 22 22 LYS N N 22 120.754 120.754 119.951 0.803 25069 6978 1 13 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.411 -0.616 25069 6979 1 13 . 1 1 22 22 LYS C C 22 177.354 177.354 176.569 0.785 25069 6980 1 13 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.907 3.100 25069 6981 1 13 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.912 -0.929 25069 6982 1 13 . 1 1 22 22 LYS H H 22 6.958 6.958 8.089 -1.131 25069 6983 1 13 . 1 1 23 23 GLU N N 23 115.305 115.305 119.375 -4.070 25069 6984 1 13 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.405 0.053 25069 6985 1 13 . 1 1 23 23 GLU C C 23 176.733 176.733 176.293 0.440 25069 6986 1 13 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.152 -0.717 25069 6987 1 13 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.747 2.607 25069 6988 1 13 . 1 1 23 23 GLU H H 23 9.425 9.425 8.603 0.822 25069 6989 1 13 . 1 1 24 24 GLY N N 24 112.542 112.542 115.953 -3.411 25069 6990 1 13 . 1 1 24 24 GLY C C 24 173.486 173.486 174.497 -1.011 25069 6991 1 13 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.245 0.097 25069 6992 1 13 . 1 1 24 24 GLY H H 24 8.879 8.879 8.692 0.187 25069 6993 1 13 . 1 1 25 25 ASP N N 25 125.117 125.117 122.572 2.545 25069 6994 1 13 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.829 -0.546 25069 6995 1 13 . 1 1 25 25 ASP C C 25 179.177 179.177 175.841 3.336 25069 6996 1 13 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.390 1.724 25069 6997 1 13 . 1 1 25 25 ASP CB C 25 41.736 41.736 41.880 -0.145 25069 6998 1 13 . 1 1 25 25 ASP H H 25 8.423 8.423 7.937 0.486 25069 6999 1 13 . 1 1 26 26 LYS N N 26 131.175 131.175 116.601 14.574 25069 7000 1 13 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.427 -0.231 25069 7001 1 13 . 1 1 26 26 LYS C C 26 176.638 176.638 174.926 1.712 25069 7002 1 13 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.790 1.178 25069 7003 1 13 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.006 -1.783 25069 7004 1 13 . 1 1 26 26 LYS H H 26 9.247 9.247 8.255 0.992 25069 7005 1 13 . 1 1 27 27 PHE N N 27 118.593 118.593 115.955 2.638 25069 7006 1 13 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.203 -0.504 25069 7007 1 13 . 1 1 27 27 PHE C C 27 173.452 173.452 174.433 -0.981 25069 7008 1 13 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.297 -1.265 25069 7009 1 13 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.290 -1.199 25069 7010 1 13 . 1 1 27 27 PHE H H 27 9.335 9.335 8.114 1.221 25069 7011 1 13 . 1 1 28 28 LYS N N 28 113.854 113.854 118.889 -5.035 25069 7012 1 13 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.286 -0.282 25069 7013 1 13 . 1 1 28 28 LYS C C 28 174.468 174.468 175.118 -0.650 25069 7014 1 13 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.223 0.064 25069 7015 1 13 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.411 1.607 25069 7016 1 13 . 1 1 28 28 LYS H H 28 6.985 6.985 7.668 -0.683 25069 7017 1 13 . 1 1 29 29 LEU N N 29 124.858 124.858 125.098 -0.240 25069 7018 1 13 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.958 0.055 25069 7019 1 13 . 1 1 29 29 LEU C C 29 175.791 175.791 176.642 -0.851 25069 7020 1 13 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.319 -0.720 25069 7021 1 13 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.218 1.339 25069 7022 1 13 . 1 1 29 29 LEU H H 29 9.454 9.454 9.125 0.329 25069 7023 1 13 . 1 1 30 30 ASN N N 30 122.896 122.896 122.611 0.285 25069 7024 1 13 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.168 -0.590 25069 7025 1 13 . 1 1 30 30 ASN C C 30 174.969 174.969 176.583 -1.614 25069 7026 1 13 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.087 -0.989 25069 7027 1 13 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.524 -2.166 25069 7028 1 13 . 1 1 30 30 ASN H H 30 9.560 9.560 8.254 1.306 25069 7029 1 13 . 1 1 31 31 LYS N N 31 115.136 115.136 120.162 -5.026 25069 7030 1 13 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.824 0.046 25069 7031 1 13 . 1 1 31 31 LYS C C 31 177.992 177.992 178.427 -0.435 25069 7032 1 13 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.944 0.091 25069 7033 1 13 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.023 0.182 25069 7034 1 13 . 1 1 31 31 LYS H H 31 8.204 8.204 8.783 -0.579 25069 7035 1 13 . 1 1 32 32 SER N N 32 113.755 113.755 114.788 -1.033 25069 7036 1 13 . 1 1 32 32 SER HA H 32 3.939 3.939 3.984 -0.045 25069 7037 1 13 . 1 1 32 32 SER C C 32 177.484 177.484 176.561 0.923 25069 7038 1 13 . 1 1 32 32 SER CA C 32 61.374 61.374 61.355 0.019 25069 7039 1 13 . 1 1 32 32 SER CB C 32 62.733 62.733 62.808 -0.075 25069 7040 1 13 . 1 1 32 32 SER H H 32 7.575 7.575 8.285 -0.710 25069 7041 1 13 . 1 1 33 33 GLU N N 33 122.657 122.657 122.265 0.392 25069 7042 1 13 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.080 -0.167 25069 7043 1 13 . 1 1 33 33 GLU C C 33 178.560 178.560 178.945 -0.385 25069 7044 1 13 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.749 0.093 25069 7045 1 13 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.717 1.482 25069 7046 1 13 . 1 1 33 33 GLU H H 33 8.608 8.608 7.653 0.955 25069 7047 1 13 . 1 1 34 34 LEU N N 34 117.375 117.375 122.276 -4.901 25069 7048 1 13 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.843 -0.038 25069 7049 1 13 . 1 1 34 34 LEU C C 34 177.693 177.693 178.205 -0.512 25069 7050 1 13 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.672 -0.896 25069 7051 1 13 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.812 -0.115 25069 7052 1 13 . 1 1 34 34 LEU H H 34 8.859 8.859 8.745 0.114 25069 7053 1 13 . 1 1 35 35 LYS N N 35 117.418 117.418 118.609 -1.191 25069 7054 1 13 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.788 -0.262 25069 7055 1 13 . 1 1 35 35 LYS C C 35 179.129 179.129 179.049 0.080 25069 7056 1 13 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.424 -0.258 25069 7057 1 13 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.969 -0.210 25069 7058 1 13 . 1 1 35 35 LYS H H 35 7.901 7.901 8.399 -0.498 25069 7059 1 13 . 1 1 36 36 GLU N N 36 120.491 120.491 119.761 0.730 25069 7060 1 13 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.085 -0.366 25069 7061 1 13 . 1 1 36 36 GLU C C 36 176.354 176.354 179.276 -2.922 25069 7062 1 13 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.067 0.902 25069 7063 1 13 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.841 -0.448 25069 7064 1 13 . 1 1 36 36 GLU H H 36 7.619 7.619 7.633 -0.014 25069 7065 1 13 . 1 1 37 37 LEU N N 37 120.058 120.058 121.686 -1.628 25069 7066 1 13 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.224 -0.798 25069 7067 1 13 . 1 1 37 37 LEU C C 37 179.412 179.412 178.481 0.931 25069 7068 1 13 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.974 1.463 25069 7069 1 13 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.920 -0.116 25069 7070 1 13 . 1 1 37 37 LEU H H 37 7.762 7.762 8.543 -0.781 25069 7071 1 13 . 1 1 38 38 LEU N N 38 116.987 116.987 118.569 -1.582 25069 7072 1 13 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.156 -0.491 25069 7073 1 13 . 1 1 38 38 LEU C C 38 178.279 178.279 179.010 -0.731 25069 7074 1 13 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.052 0.626 25069 7075 1 13 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.102 1.212 25069 7076 1 13 . 1 1 38 38 LEU H H 38 8.532 8.532 8.697 -0.165 25069 7077 1 13 . 1 1 39 39 THR N N 39 108.650 108.650 109.546 -0.896 25069 7078 1 13 . 1 1 39 39 THR HA H 39 3.693 3.693 4.231 -0.538 25069 7079 1 13 . 1 1 39 39 THR C C 39 176.231 176.231 176.558 -0.327 25069 7080 1 13 . 1 1 39 39 THR CA C 39 65.997 65.997 65.064 0.933 25069 7081 1 13 . 1 1 39 39 THR CB C 39 69.618 69.618 69.146 0.472 25069 7082 1 13 . 1 1 39 39 THR H H 39 7.883 7.883 8.164 -0.281 25069 7083 1 13 . 1 1 40 40 ARG N N 40 115.482 115.482 120.114 -4.632 25069 7084 1 13 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.288 -0.136 25069 7085 1 13 . 1 1 40 40 ARG C C 40 178.520 178.520 178.154 0.366 25069 7086 1 13 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.207 -0.172 25069 7087 1 13 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.860 0.385 25069 7088 1 13 . 1 1 40 40 ARG H H 40 8.015 8.015 7.974 0.041 25069 7089 1 13 . 1 1 41 41 GLU N N 41 112.106 112.106 116.799 -4.693 25069 7090 1 13 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.361 0.473 25069 7091 1 13 . 1 1 41 41 GLU C C 41 177.856 177.856 176.365 1.491 25069 7092 1 13 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.497 -1.299 25069 7093 1 13 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.415 -0.094 25069 7094 1 13 . 1 1 41 41 GLU H H 41 8.463 8.463 8.385 0.078 25069 7095 1 13 . 1 1 42 42 LEU N N 42 119.287 119.287 120.158 -0.871 25069 7096 1 13 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.911 0.141 25069 7097 1 13 . 1 1 42 42 LEU C C 42 174.457 174.457 174.747 -0.290 25069 7098 1 13 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.599 0.239 25069 7099 1 13 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.185 1.897 25069 7100 1 13 . 1 1 42 42 LEU H H 42 7.688 7.688 7.466 0.222 25069 7101 1 13 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.399 -0.195 25069 7102 1 13 . 1 1 43 43 PRO C C 43 179.969 179.969 178.787 1.182 25069 7103 1 13 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.713 -0.023 25069 7104 1 13 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.118 -1.291 25069 7105 1 13 . 1 1 44 44 SER N N 44 114.352 114.352 112.026 2.326 25069 7106 1 13 . 1 1 44 44 SER HA H 44 4.093 4.093 4.327 -0.234 25069 7107 1 13 . 1 1 44 44 SER C C 44 175.709 175.709 176.722 -1.013 25069 7108 1 13 . 1 1 44 44 SER CA C 44 60.793 60.793 60.505 0.288 25069 7109 1 13 . 1 1 44 44 SER CB C 44 62.400 62.400 63.201 -0.801 25069 7110 1 13 . 1 1 44 44 SER H H 44 8.674 8.674 7.980 0.694 25069 7111 1 13 . 1 1 45 45 PHE N N 45 121.558 121.558 122.079 -0.521 25069 7112 1 13 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.189 -0.037 25069 7113 1 13 . 1 1 45 45 PHE C C 45 176.441 176.441 177.143 -0.702 25069 7114 1 13 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.346 -1.012 25069 7115 1 13 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.076 0.713 25069 7116 1 13 . 1 1 45 45 PHE H H 45 7.952 7.952 8.223 -0.271 25069 7117 1 13 . 1 1 46 46 LEU N N 46 117.590 117.590 115.710 1.880 25069 7118 1 13 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.349 -0.513 25069 7119 1 13 . 1 1 46 46 LEU C C 46 178.236 178.236 179.381 -1.145 25069 7120 1 13 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.981 1.163 25069 7121 1 13 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.636 0.880 25069 7122 1 13 . 1 1 46 46 LEU H H 46 7.906 7.906 8.177 -0.271 25069 7123 1 13 . 1 1 47 47 GLY N N 47 104.817 104.817 109.931 -5.114 25069 7124 1 13 . 1 1 47 47 GLY C C 47 174.665 174.665 175.751 -1.086 25069 7125 1 13 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.785 -0.800 25069 7126 1 13 . 1 1 47 47 GLY H H 47 7.646 7.646 7.637 0.009 25069 7127 1 13 . 1 1 48 48 LYS N N 48 120.422 120.422 118.983 1.439 25069 7128 1 13 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.189 -0.037 25069 7129 1 13 . 1 1 48 48 LYS C C 48 177.029 177.029 176.916 0.113 25069 7130 1 13 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.139 -0.659 25069 7131 1 13 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.837 -0.585 25069 7132 1 13 . 1 1 48 48 LYS H H 48 8.400 8.400 7.464 0.936 25069 7133 1 13 . 1 1 49 49 ARG N N 49 119.815 119.815 119.658 0.157 25069 7134 1 13 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.420 -0.117 25069 7135 1 13 . 1 1 49 49 ARG C C 49 175.183 175.183 174.038 1.145 25069 7136 1 13 . 1 1 49 49 ARG CA C 49 55.699 55.699 56.067 -0.368 25069 7137 1 13 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.120 -1.613 25069 7138 1 13 . 1 1 49 49 ARG H H 49 7.801 7.801 7.585 0.216 25069 7139 1 13 . 1 1 50 50 THR N N 50 110.525 110.525 114.904 -4.379 25069 7140 1 13 . 1 1 50 50 THR HA H 50 4.091 4.091 4.599 -0.508 25069 7141 1 13 . 1 1 50 50 THR C C 50 174.108 174.108 173.841 0.267 25069 7142 1 13 . 1 1 50 50 THR CA C 50 61.579 61.579 61.305 0.274 25069 7143 1 13 . 1 1 50 50 THR CB C 50 69.136 69.136 69.708 -0.572 25069 7144 1 13 . 1 1 50 50 THR H H 50 7.808 7.808 7.910 -0.102 25069 7145 1 13 . 1 1 51 51 ASP N N 51 121.073 121.073 125.585 -4.512 25069 7146 1 13 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.652 -0.092 25069 7147 1 13 . 1 1 51 51 ASP C C 51 175.715 175.715 175.733 -0.018 25069 7148 1 13 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.076 -0.022 25069 7149 1 13 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.015 -1.204 25069 7150 1 13 . 1 1 51 51 ASP H H 51 7.924 7.924 8.099 -0.175 25069 7151 1 13 . 1 1 52 52 GLU N N 52 120.418 120.418 120.826 -0.408 25069 7152 1 13 . 1 1 52 52 GLU HA H 52 4.042 4.042 3.186 0.856 25069 7153 1 13 . 1 1 52 52 GLU C C 52 178.726 178.726 177.376 1.350 25069 7154 1 13 . 1 1 52 52 GLU CA C 52 59.560 59.560 59.469 0.091 25069 7155 1 13 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.527 -0.143 25069 7156 1 13 . 1 1 52 52 GLU H H 52 8.515 8.515 8.798 -0.283 25069 7157 1 13 . 1 1 53 53 ALA N N 53 120.807 120.807 120.856 -0.049 25069 7158 1 13 . 1 1 53 53 ALA HA H 53 4.036 4.036 3.852 0.184 25069 7159 1 13 . 1 1 53 53 ALA C C 53 180.416 180.416 179.131 1.285 25069 7160 1 13 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.894 0.247 25069 7161 1 13 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.044 -0.100 25069 7162 1 13 . 1 1 53 53 ALA H H 53 8.242 8.242 8.532 -0.290 25069 7163 1 13 . 1 1 54 54 ALA N N 54 121.069 121.069 122.262 -1.193 25069 7164 1 13 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.016 -0.089 25069 7165 1 13 . 1 1 54 54 ALA C C 54 180.846 180.846 179.449 1.397 25069 7166 1 13 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.949 0.028 25069 7167 1 13 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.390 -0.053 25069 7168 1 13 . 1 1 54 54 ALA H H 54 7.874 7.874 7.623 0.251 25069 7169 1 13 . 1 1 55 55 PHE N N 55 118.066 118.066 117.649 0.417 25069 7170 1 13 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.245 -0.278 25069 7171 1 13 . 1 1 55 55 PHE C C 55 177.160 177.160 177.650 -0.490 25069 7172 1 13 . 1 1 55 55 PHE CA C 55 62.029 62.029 59.471 2.558 25069 7173 1 13 . 1 1 55 55 PHE CB C 55 38.832 38.832 37.610 1.222 25069 7174 1 13 . 1 1 55 55 PHE H H 55 8.013 8.013 7.769 0.244 25069 7175 1 13 . 1 1 56 56 GLN N N 56 118.474 118.474 121.794 -3.320 25069 7176 1 13 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.988 -0.248 25069 7177 1 13 . 1 1 56 56 GLN C C 56 178.531 178.531 178.040 0.491 25069 7178 1 13 . 1 1 56 56 GLN CA C 56 58.832 58.832 58.884 -0.052 25069 7179 1 13 . 1 1 56 56 GLN CB C 56 27.854 27.854 27.831 0.023 25069 7180 1 13 . 1 1 56 56 GLN H H 56 8.265 8.265 7.559 0.706 25069 7181 1 13 . 1 1 57 57 LYS N N 57 119.207 119.207 119.597 -0.390 25069 7182 1 13 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.043 -0.190 25069 7183 1 13 . 1 1 57 57 LYS C C 57 178.458 178.458 179.401 -0.943 25069 7184 1 13 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.885 0.192 25069 7185 1 13 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.017 0.117 25069 7186 1 13 . 1 1 57 57 LYS H H 57 7.622 7.622 7.962 -0.340 25069 7187 1 13 . 1 1 58 58 LEU N N 58 119.398 119.398 121.365 -1.967 25069 7188 1 13 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.997 -0.092 25069 7189 1 13 . 1 1 58 58 LEU C C 58 178.444 178.444 178.367 0.077 25069 7190 1 13 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.778 0.343 25069 7191 1 13 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.784 -0.130 25069 7192 1 13 . 1 1 58 58 LEU H H 58 7.504 7.504 8.364 -0.860 25069 7193 1 13 . 1 1 59 59 MET N N 59 116.434 116.434 119.603 -3.169 25069 7194 1 13 . 1 1 59 59 MET HA H 59 3.614 3.614 3.869 -0.255 25069 7195 1 13 . 1 1 59 59 MET C C 59 177.513 177.513 177.957 -0.444 25069 7196 1 13 . 1 1 59 59 MET CA C 59 58.765 58.765 59.974 -1.209 25069 7197 1 13 . 1 1 59 59 MET CB C 59 31.060 31.060 32.431 -1.371 25069 7198 1 13 . 1 1 59 59 MET H H 59 8.049 8.049 8.686 -0.637 25069 7199 1 13 . 1 1 60 60 SER N N 60 111.447 111.447 113.641 -2.194 25069 7200 1 13 . 1 1 60 60 SER HA H 60 4.066 4.066 4.168 -0.102 25069 7201 1 13 . 1 1 60 60 SER C C 60 175.986 175.986 176.216 -0.230 25069 7202 1 13 . 1 1 60 60 SER CA C 60 61.416 61.416 60.791 0.625 25069 7203 1 13 . 1 1 60 60 SER CB C 60 62.945 62.945 62.716 0.229 25069 7204 1 13 . 1 1 60 60 SER H H 60 7.839 7.839 7.976 -0.137 25069 7205 1 13 . 1 1 61 61 ASN N N 61 117.559 117.559 118.934 -1.375 25069 7206 1 13 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.577 -0.227 25069 7207 1 13 . 1 1 61 61 ASN C C 61 176.377 176.377 177.561 -1.184 25069 7208 1 13 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.572 -0.569 25069 7209 1 13 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.774 0.099 25069 7210 1 13 . 1 1 61 61 ASN H H 61 7.615 7.615 7.926 -0.311 25069 7211 1 13 . 1 1 62 62 LEU N N 62 117.926 117.926 118.546 -0.620 25069 7212 1 13 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.236 -0.208 25069 7213 1 13 . 1 1 62 62 LEU C C 62 178.394 178.394 177.509 0.885 25069 7214 1 13 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.676 0.321 25069 7215 1 13 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.042 1.360 25069 7216 1 13 . 1 1 62 62 LEU H H 62 7.719 7.719 8.036 -0.317 25069 7217 1 13 . 1 1 63 63 ASP N N 63 115.899 115.899 119.534 -3.635 25069 7218 1 13 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.430 0.138 25069 7219 1 13 . 1 1 63 63 ASP C C 63 176.866 176.866 176.873 -0.007 25069 7220 1 13 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.585 -1.845 25069 7221 1 13 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.986 -0.500 25069 7222 1 13 . 1 1 63 63 ASP H H 63 7.707 7.707 8.463 -0.756 25069 7223 1 13 . 1 1 64 64 SER N N 64 121.158 121.158 123.593 -2.435 25069 7224 1 13 . 1 1 64 64 SER HA H 64 4.080 4.080 4.373 -0.293 25069 7225 1 13 . 1 1 64 64 SER C C 64 175.780 175.780 175.430 0.350 25069 7226 1 13 . 1 1 64 64 SER CA C 64 60.698 60.698 60.570 0.128 25069 7227 1 13 . 1 1 64 64 SER CB C 64 63.034 63.034 63.243 -0.209 25069 7228 1 13 . 1 1 64 64 SER H H 64 8.034 8.034 8.460 -0.426 25069 7229 1 13 . 1 1 65 65 ASN N N 65 115.443 115.443 118.810 -3.367 25069 7230 1 13 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.578 0.086 25069 7231 1 13 . 1 1 65 65 ASN C C 65 174.775 174.775 175.531 -0.756 25069 7232 1 13 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.664 -1.665 25069 7233 1 13 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.647 -1.476 25069 7234 1 13 . 1 1 65 65 ASN H H 65 8.055 8.055 7.849 0.206 25069 7235 1 13 . 1 1 66 66 ARG N N 66 114.242 114.242 116.888 -2.646 25069 7236 1 13 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.451 -0.524 25069 7237 1 13 . 1 1 66 66 ARG C C 66 175.354 175.354 175.231 0.123 25069 7238 1 13 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.399 -0.240 25069 7239 1 13 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.254 -0.401 25069 7240 1 13 . 1 1 66 66 ARG H H 66 7.560 7.560 8.134 -0.574 25069 7241 1 13 . 1 1 67 67 ASP N N 67 118.260 118.260 119.163 -0.903 25069 7242 1 13 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.730 -0.128 25069 7243 1 13 . 1 1 67 67 ASP C C 67 177.143 177.143 175.568 1.575 25069 7244 1 13 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.699 -0.680 25069 7245 1 13 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.492 -0.788 25069 7246 1 13 . 1 1 67 67 ASP H H 67 8.406 8.406 8.364 0.042 25069 7247 1 13 . 1 1 68 68 ASN N N 68 115.091 115.091 115.658 -0.567 25069 7248 1 13 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.491 -0.512 25069 7249 1 13 . 1 1 68 68 ASN C C 68 173.046 173.046 173.367 -0.321 25069 7250 1 13 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.239 1.098 25069 7251 1 13 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.560 0.330 25069 7252 1 13 . 1 1 68 68 ASN H H 68 10.021 10.021 8.491 1.530 25069 7253 1 13 . 1 1 69 69 GLU N N 69 115.671 115.671 116.961 -1.290 25069 7254 1 13 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.946 -0.248 25069 7255 1 13 . 1 1 69 69 GLU C C 69 175.335 175.335 175.371 -0.036 25069 7256 1 13 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.928 -0.057 25069 7257 1 13 . 1 1 69 69 GLU CB C 69 35.633 35.633 32.824 2.809 25069 7258 1 13 . 1 1 69 69 GLU H H 69 7.724 7.724 7.739 -0.015 25069 7259 1 13 . 1 1 70 70 VAL N N 70 124.606 124.606 125.000 -0.394 25069 7260 1 13 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.127 1.008 25069 7261 1 13 . 1 1 70 70 VAL C C 70 175.876 175.876 175.755 0.121 25069 7262 1 13 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.118 -0.976 25069 7263 1 13 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.531 1.026 25069 7264 1 13 . 1 1 70 70 VAL H H 70 9.814 9.814 8.904 0.910 25069 7265 1 13 . 1 1 71 71 ASP N N 71 127.612 127.612 128.404 -0.792 25069 7266 1 13 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.258 -0.233 25069 7267 1 13 . 1 1 71 71 ASP C C 71 175.018 175.018 177.891 -2.873 25069 7268 1 13 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.367 -0.806 25069 7269 1 13 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.096 -1.117 25069 7270 1 13 . 1 1 71 71 ASP H H 71 8.896 8.896 8.522 0.374 25069 7271 1 13 . 1 1 72 72 PHE N N 72 117.738 117.738 120.215 -2.477 25069 7272 1 13 . 1 1 72 72 PHE C C 72 177.390 177.390 177.676 -0.286 25069 7273 1 13 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.422 0.604 25069 7274 1 13 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.864 0.364 25069 7275 1 13 . 1 1 72 72 PHE H H 72 8.993 8.993 8.424 0.569 25069 7276 1 13 . 1 1 73 73 GLN N N 73 120.479 120.479 117.702 2.777 25069 7277 1 13 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.941 -0.137 25069 7278 1 13 . 1 1 73 73 GLN C C 73 178.583 178.583 178.015 0.568 25069 7279 1 13 . 1 1 73 73 GLN CA C 73 60.060 60.060 60.290 -0.230 25069 7280 1 13 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.453 -0.625 25069 7281 1 13 . 1 1 73 73 GLN H H 73 8.246 8.246 8.704 -0.458 25069 7282 1 13 . 1 1 74 74 GLU N N 74 120.179 120.179 119.126 1.053 25069 7283 1 13 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.052 -0.208 25069 7284 1 13 . 1 1 74 74 GLU C C 74 180.584 180.584 179.324 1.260 25069 7285 1 13 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.984 -0.971 25069 7286 1 13 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.082 1.324 25069 7287 1 13 . 1 1 74 74 GLU H H 74 8.782 8.782 8.608 0.174 25069 7288 1 13 . 1 1 75 75 TYR N N 75 122.109 122.109 121.166 0.943 25069 7289 1 13 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.339 -0.327 25069 7290 1 13 . 1 1 75 75 TYR C C 75 175.383 175.383 177.401 -2.018 25069 7291 1 13 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.356 -1.133 25069 7292 1 13 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.529 0.261 25069 7293 1 13 . 1 1 75 75 TYR H H 75 8.619 8.619 8.510 0.109 25069 7294 1 13 . 1 1 76 76 SER N N 76 117.790 117.790 116.310 1.480 25069 7295 1 13 . 1 1 76 76 SER HA H 76 3.326 3.326 3.899 -0.573 25069 7296 1 13 . 1 1 76 76 SER C C 76 176.930 176.930 176.377 0.553 25069 7297 1 13 . 1 1 76 76 SER CA C 76 62.377 62.377 62.853 -0.476 25069 7298 1 13 . 1 1 76 76 SER CB C 76 62.573 62.573 62.889 -0.315 25069 7299 1 13 . 1 1 76 76 SER H H 76 8.654 8.654 8.121 0.533 25069 7300 1 13 . 1 1 77 77 VAL N N 77 123.033 123.033 122.794 0.239 25069 7301 1 13 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.829 -0.250 25069 7302 1 13 . 1 1 77 77 VAL C C 77 178.969 178.969 177.851 1.118 25069 7303 1 13 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.462 -0.366 25069 7304 1 13 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.587 0.390 25069 7305 1 13 . 1 1 77 77 VAL H H 77 7.844 7.844 8.483 -0.639 25069 7306 1 13 . 1 1 78 78 PHE N N 78 121.473 121.473 121.348 0.125 25069 7307 1 13 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.105 0.243 25069 7308 1 13 . 1 1 78 78 PHE C C 78 177.726 177.726 176.793 0.933 25069 7309 1 13 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.858 -1.529 25069 7310 1 13 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.662 -0.118 25069 7311 1 13 . 1 1 78 78 PHE H H 78 7.439 7.439 7.939 -0.500 25069 7312 1 13 . 1 1 79 79 LEU N N 79 118.574 118.574 117.330 1.244 25069 7313 1 13 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.127 0.103 25069 7314 1 13 . 1 1 79 79 LEU C C 79 178.837 178.837 178.763 0.074 25069 7315 1 13 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.442 0.288 25069 7316 1 13 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.880 -0.428 25069 7317 1 13 . 1 1 79 79 LEU H H 79 8.298 8.298 7.790 0.508 25069 7318 1 13 . 1 1 80 80 SER N N 80 112.827 112.827 114.609 -1.782 25069 7319 1 13 . 1 1 80 80 SER HA H 80 3.978 3.978 4.048 -0.071 25069 7320 1 13 . 1 1 80 80 SER C C 80 175.796 175.796 176.745 -0.949 25069 7321 1 13 . 1 1 80 80 SER CA C 80 62.278 62.278 61.448 0.830 25069 7322 1 13 . 1 1 80 80 SER CB C 80 63.148 63.148 62.683 0.465 25069 7323 1 13 . 1 1 80 80 SER H H 80 7.728 7.728 8.039 -0.311 25069 7324 1 13 . 1 1 81 81 SER N N 81 117.584 117.584 118.758 -1.174 25069 7325 1 13 . 1 1 81 81 SER HA H 81 4.151 4.151 4.193 -0.042 25069 7326 1 13 . 1 1 81 81 SER C C 81 176.761 176.761 176.497 0.264 25069 7327 1 13 . 1 1 81 81 SER CA C 81 61.673 61.673 61.779 -0.105 25069 7328 1 13 . 1 1 81 81 SER CB C 81 62.441 62.441 62.896 -0.455 25069 7329 1 13 . 1 1 81 81 SER H H 81 7.703 7.703 7.969 -0.266 25069 7330 1 13 . 1 1 82 82 ILE N N 82 122.194 122.194 121.147 1.047 25069 7331 1 13 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.685 -0.037 25069 7332 1 13 . 1 1 82 82 ILE C C 82 178.743 178.743 177.822 0.921 25069 7333 1 13 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.242 -1.093 25069 7334 1 13 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.439 -0.714 25069 7335 1 13 . 1 1 82 82 ILE H H 82 7.490 7.490 7.861 -0.371 25069 7336 1 13 . 1 1 83 83 ALA N N 83 123.288 123.288 123.174 0.114 25069 7337 1 13 . 1 1 83 83 ALA HA H 83 3.814 3.814 4.106 -0.292 25069 7338 1 13 . 1 1 83 83 ALA C C 83 179.019 179.019 179.848 -0.829 25069 7339 1 13 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.695 0.832 25069 7340 1 13 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.709 -1.060 25069 7341 1 13 . 1 1 83 83 ALA H H 83 8.190 8.190 7.619 0.571 25069 7342 1 13 . 1 1 84 84 MET N N 84 114.549 114.549 117.845 -3.296 25069 7343 1 13 . 1 1 84 84 MET HA H 84 4.660 4.660 4.577 0.083 25069 7344 1 13 . 1 1 84 84 MET C C 84 174.776 174.776 178.848 -4.072 25069 7345 1 13 . 1 1 84 84 MET CA C 84 58.603 58.603 58.962 -0.359 25069 7346 1 13 . 1 1 84 84 MET CB C 84 37.147 37.147 33.061 4.086 25069 7347 1 13 . 1 1 84 84 MET H H 84 8.060 8.060 8.480 -0.420 25069 7348 1 13 . 1 1 85 85 MET N N 85 114.638 114.638 118.993 -4.355 25069 7349 1 13 . 1 1 85 85 MET HA H 85 4.079 4.079 4.365 -0.286 25069 7350 1 13 . 1 1 85 85 MET C C 85 178.153 178.153 178.628 -0.475 25069 7351 1 13 . 1 1 85 85 MET CA C 85 58.444 58.444 58.487 -0.043 25069 7352 1 13 . 1 1 85 85 MET CB C 85 32.523 32.523 32.197 0.326 25069 7353 1 13 . 1 1 85 85 MET H H 85 8.097 8.097 8.545 -0.448 25069 7354 1 13 . 1 1 86 86 SER N N 86 114.719 114.719 115.371 -0.652 25069 7355 1 13 . 1 1 86 86 SER HA H 86 4.184 4.184 4.419 -0.235 25069 7356 1 13 . 1 1 86 86 SER C C 86 176.656 176.656 175.751 0.905 25069 7357 1 13 . 1 1 86 86 SER CA C 86 60.867 60.867 61.333 -0.466 25069 7358 1 13 . 1 1 86 86 SER CB C 86 63.250 63.250 62.822 0.428 25069 7359 1 13 . 1 1 86 86 SER H H 86 8.119 8.119 8.710 -0.591 25069 7360 1 13 . 1 1 87 87 ASN N N 87 119.754 119.754 119.343 0.411 25069 7361 1 13 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.695 -0.117 25069 7362 1 13 . 1 1 87 87 ASN C C 87 176.062 176.062 177.241 -1.179 25069 7363 1 13 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.553 0.623 25069 7364 1 13 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.979 -0.231 25069 7365 1 13 . 1 1 87 87 ASN H H 87 8.328 8.328 7.479 0.849 25069 7366 1 13 . 1 1 88 88 GLU N N 88 117.928 117.928 121.004 -3.076 25069 7367 1 13 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.381 -0.642 25069 7368 1 13 . 1 1 88 88 GLU C C 88 177.870 177.870 178.998 -1.128 25069 7369 1 13 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.788 0.144 25069 7370 1 13 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.574 -0.293 25069 7371 1 13 . 1 1 88 88 GLU H H 88 7.747 7.747 8.779 -1.032 25069 7372 1 13 . 1 1 89 89 PHE N N 89 116.133 116.133 120.005 -3.872 25069 7373 1 13 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.263 -0.094 25069 7374 1 13 . 1 1 89 89 PHE C C 89 176.404 176.404 176.665 -0.261 25069 7375 1 13 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.325 -0.270 25069 7376 1 13 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.255 -0.413 25069 7377 1 13 . 1 1 89 89 PHE H H 89 7.465 7.465 8.112 -0.647 25069 7378 1 13 . 1 1 90 90 PHE N N 90 119.130 119.130 120.410 -1.280 25069 7379 1 13 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.069 -0.014 25069 7380 1 13 . 1 1 90 90 PHE C C 90 176.420 176.420 176.308 0.112 25069 7381 1 13 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.599 -0.829 25069 7382 1 13 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.165 0.148 25069 7383 1 13 . 1 1 90 90 PHE H H 90 7.537 7.537 7.509 0.028 25069 7384 1 13 . 1 1 91 91 GLU N N 91 118.971 118.971 117.521 1.450 25069 7385 1 13 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.108 -0.368 25069 7386 1 13 . 1 1 91 91 GLU C C 91 176.491 176.491 177.387 -0.896 25069 7387 1 13 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.056 0.175 25069 7388 1 13 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.114 -0.066 25069 7389 1 13 . 1 1 91 91 GLU H H 91 7.938 7.938 7.936 0.002 25069 7390 1 13 . 1 1 92 92 GLY N N 92 105.912 105.912 106.065 -0.153 25069 7391 1 13 . 1 1 92 92 GLY C C 92 173.288 173.288 173.302 -0.014 25069 7392 1 13 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.989 0.075 25069 7393 1 13 . 1 1 92 92 GLY H H 92 7.201 7.201 7.488 -0.287 25069 7394 1 13 . 1 1 93 93 PHE N N 93 118.877 118.877 118.543 0.334 25069 7395 1 13 . 1 1 93 93 PHE C C 93 174.128 174.128 173.444 0.684 25069 7396 1 13 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.503 1.706 25069 7397 1 13 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.468 -2.698 25069 7398 1 13 . 1 1 93 93 PHE H H 93 7.844 7.844 7.448 0.396 25069 7399 1 13 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.672 -0.466 25069 7400 1 13 . 1 1 94 94 PRO C C 94 176.669 176.669 175.980 0.689 25069 7401 1 13 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.414 0.287 25069 7402 1 13 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.973 0.863 25069 7403 1 13 . 1 1 95 95 ASP N N 95 118.031 118.031 122.897 -4.866 25069 7404 1 13 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.659 -0.252 25069 7405 1 13 . 1 1 95 95 ASP C C 95 176.139 176.139 177.208 -1.069 25069 7406 1 13 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.983 -0.502 25069 7407 1 13 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.683 -1.662 25069 7408 1 13 . 1 1 95 95 ASP H H 95 8.144 8.144 8.276 -0.132 25069 7409 1 13 . 1 1 96 96 LYS N N 96 119.472 119.472 118.521 0.951 25069 7410 1 13 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.244 -0.107 25069 7411 1 13 . 1 1 96 96 LYS C C 96 176.212 176.212 176.718 -0.506 25069 7412 1 13 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.156 -0.977 25069 7413 1 13 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.425 0.358 25069 7414 1 13 . 1 1 96 96 LYS H H 96 7.980 7.980 8.355 -0.375 25069 7415 1 13 . 1 1 97 97 GLN N N 97 120.185 120.185 118.643 1.542 25069 7416 1 13 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.418 0.003 25069 7417 1 13 . 1 1 97 97 GLN C C 97 173.700 173.700 175.593 -1.893 25069 7418 1 13 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.792 0.011 25069 7419 1 13 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.777 0.955 25069 7420 1 13 . 1 1 97 97 GLN H H 97 8.007 8.007 7.808 0.199 25069 7421 1 13 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.490 -0.247 25069 7422 1 13 . 1 1 98 98 PRO C C 98 176.605 176.605 178.270 -1.665 25069 7423 1 13 . 1 1 98 98 PRO CA C 98 63.014 63.014 64.401 -1.387 25069 7424 1 13 . 1 1 98 98 PRO CB C 98 31.937 31.937 32.062 -0.124 25069 7425 1 13 . 1 1 99 99 ARG N N 99 120.677 120.677 115.534 5.143 25069 7426 1 13 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.891 0.254 25069 7427 1 13 . 1 1 99 99 ARG C C 99 176.053 176.053 177.171 -1.118 25069 7428 1 13 . 1 1 99 99 ARG CA C 99 55.972 55.972 59.030 -3.058 25069 7429 1 13 . 1 1 99 99 ARG CB C 99 30.894 30.894 27.982 2.912 25069 7430 1 13 . 1 1 99 99 ARG H H 99 8.254 8.254 8.597 -0.343 25069 7431 1 13 . 1 1 100 100 LYS N N 100 122.775 122.775 120.857 1.918 25069 7432 1 13 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.142 0.002 25069 7433 1 13 . 1 1 100 100 LYS C C 100 175.376 175.376 176.392 -1.016 25069 7434 1 13 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.699 -1.303 25069 7435 1 13 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.709 0.580 25069 7436 1 13 . 1 1 100 100 LYS H H 100 8.230 8.230 7.889 0.341 25069 7437 1 14 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.523 -0.314 25069 7438 1 14 . 1 1 2 2 ALA C C 2 173.983 173.983 177.256 -3.273 25069 7439 1 14 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.503 0.099 25069 7440 1 14 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.930 1.946 25069 7441 1 14 . 1 1 3 3 SER N N 3 121.630 121.630 121.722 -0.092 25069 7442 1 14 . 1 1 3 3 SER C C 3 172.689 172.689 174.199 -1.510 25069 7443 1 14 . 1 1 3 3 SER CA C 3 56.943 56.943 58.339 -1.396 25069 7444 1 14 . 1 1 3 3 SER CB C 3 63.102 63.102 61.855 1.247 25069 7445 1 14 . 1 1 3 3 SER H H 3 9.907 9.907 7.909 1.998 25069 7446 1 14 . 1 1 4 4 PRO C C 4 179.695 179.695 178.065 1.630 25069 7447 1 14 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.745 -0.011 25069 7448 1 14 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.627 0.153 25069 7449 1 14 . 1 1 5 5 LEU N N 5 118.522 118.522 117.876 0.646 25069 7450 1 14 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.961 0.070 25069 7451 1 14 . 1 1 5 5 LEU C C 5 177.968 177.968 178.081 -0.113 25069 7452 1 14 . 1 1 5 5 LEU CA C 5 57.648 57.648 57.923 -0.275 25069 7453 1 14 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.835 0.800 25069 7454 1 14 . 1 1 5 5 LEU H H 5 8.277 8.277 7.536 0.741 25069 7455 1 14 . 1 1 6 6 GLU N N 6 118.997 118.997 118.872 0.125 25069 7456 1 14 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.005 -0.309 25069 7457 1 14 . 1 1 6 6 GLU C C 6 180.177 180.177 179.123 1.054 25069 7458 1 14 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.175 1.164 25069 7459 1 14 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.581 1.253 25069 7460 1 14 . 1 1 6 6 GLU H H 6 8.130 8.130 8.159 -0.029 25069 7461 1 14 . 1 1 7 7 LYS N N 7 117.838 117.838 118.868 -1.030 25069 7462 1 14 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.185 -0.189 25069 7463 1 14 . 1 1 7 7 LYS C C 7 178.764 178.764 178.642 0.122 25069 7464 1 14 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.617 1.740 25069 7465 1 14 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.536 0.623 25069 7466 1 14 . 1 1 7 7 LYS H H 7 8.341 8.341 8.182 0.159 25069 7467 1 14 . 1 1 8 8 ALA N N 8 122.327 122.327 122.778 -0.451 25069 7468 1 14 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.071 -0.092 25069 7469 1 14 . 1 1 8 8 ALA C C 8 179.482 179.482 179.341 0.141 25069 7470 1 14 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.785 0.383 25069 7471 1 14 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.076 0.218 25069 7472 1 14 . 1 1 8 8 ALA H H 8 8.082 8.082 8.191 -0.109 25069 7473 1 14 . 1 1 9 9 LEU N N 9 118.212 118.212 118.078 0.134 25069 7474 1 14 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.887 0.060 25069 7475 1 14 . 1 1 9 9 LEU C C 9 178.844 178.844 178.763 0.081 25069 7476 1 14 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.379 0.830 25069 7477 1 14 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.075 0.541 25069 7478 1 14 . 1 1 9 9 LEU H H 9 8.042 8.042 7.736 0.306 25069 7479 1 14 . 1 1 10 10 ASP N N 10 117.997 117.997 118.950 -0.953 25069 7480 1 14 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.342 0.045 25069 7481 1 14 . 1 1 10 10 ASP C C 10 179.582 179.582 178.473 1.109 25069 7482 1 14 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.282 0.488 25069 7483 1 14 . 1 1 10 10 ASP CB C 10 40.994 40.994 40.972 0.021 25069 7484 1 14 . 1 1 10 10 ASP H H 10 7.587 7.587 7.647 -0.060 25069 7485 1 14 . 1 1 11 11 VAL N N 11 120.702 120.702 118.865 1.837 25069 7486 1 14 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.692 0.045 25069 7487 1 14 . 1 1 11 11 VAL C C 11 180.061 180.061 177.263 2.798 25069 7488 1 14 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.359 0.785 25069 7489 1 14 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.163 0.463 25069 7490 1 14 . 1 1 11 11 VAL H H 11 8.099 8.099 7.529 0.570 25069 7491 1 14 . 1 1 12 12 MET N N 12 123.185 123.185 119.574 3.611 25069 7492 1 14 . 1 1 12 12 MET HA H 12 3.921 3.921 4.184 -0.263 25069 7493 1 14 . 1 1 12 12 MET C C 12 178.871 178.871 177.731 1.140 25069 7494 1 14 . 1 1 12 12 MET CA C 12 60.784 60.784 58.872 1.912 25069 7495 1 14 . 1 1 12 12 MET CB C 12 32.579 32.579 32.045 0.534 25069 7496 1 14 . 1 1 12 12 MET H H 12 8.454 8.454 7.837 0.617 25069 7497 1 14 . 1 1 13 13 VAL N N 13 118.900 118.900 120.144 -1.244 25069 7498 1 14 . 1 1 13 13 VAL HA H 13 3.925 3.925 1.860 2.065 25069 7499 1 14 . 1 1 13 13 VAL C C 13 177.712 177.712 176.930 0.782 25069 7500 1 14 . 1 1 13 13 VAL CA C 13 66.680 66.680 65.685 0.995 25069 7501 1 14 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.841 2.406 25069 7502 1 14 . 1 1 13 13 VAL H H 13 8.117 8.117 7.435 0.682 25069 7503 1 14 . 1 1 14 14 SER N N 14 114.675 114.675 113.998 0.677 25069 7504 1 14 . 1 1 14 14 SER HA H 14 3.966 3.966 3.325 0.641 25069 7505 1 14 . 1 1 14 14 SER C C 14 178.306 178.306 176.216 2.090 25069 7506 1 14 . 1 1 14 14 SER CA C 14 61.937 61.937 60.164 1.773 25069 7507 1 14 . 1 1 14 14 SER CB C 14 62.474 62.474 62.661 -0.187 25069 7508 1 14 . 1 1 14 14 SER H H 14 8.935 8.935 7.293 1.642 25069 7509 1 14 . 1 1 15 15 THR N N 15 117.582 117.582 118.480 -0.898 25069 7510 1 14 . 1 1 15 15 THR HA H 15 4.190 4.190 3.830 0.360 25069 7511 1 14 . 1 1 15 15 THR C C 15 174.459 174.459 176.127 -1.668 25069 7512 1 14 . 1 1 15 15 THR CA C 15 67.683 67.683 66.858 0.825 25069 7513 1 14 . 1 1 15 15 THR CB C 15 68.187 68.187 68.782 -0.595 25069 7514 1 14 . 1 1 15 15 THR H H 15 8.543 8.543 8.066 0.477 25069 7515 1 14 . 1 1 16 16 PHE N N 16 118.606 118.606 118.955 -0.349 25069 7516 1 14 . 1 1 16 16 PHE HA H 16 3.369 3.369 4.373 -1.004 25069 7517 1 14 . 1 1 16 16 PHE C C 16 176.480 176.480 176.593 -0.113 25069 7518 1 14 . 1 1 16 16 PHE CA C 16 62.481 62.481 57.678 4.803 25069 7519 1 14 . 1 1 16 16 PHE CB C 16 39.236 39.236 37.139 2.097 25069 7520 1 14 . 1 1 16 16 PHE H H 16 6.809 6.809 7.204 -0.395 25069 7521 1 14 . 1 1 17 17 HIS N N 17 114.536 114.536 118.687 -4.151 25069 7522 1 14 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.760 -0.034 25069 7523 1 14 . 1 1 17 17 HIS C C 17 177.124 177.124 176.998 0.126 25069 7524 1 14 . 1 1 17 17 HIS CA C 17 57.727 57.727 56.952 0.775 25069 7525 1 14 . 1 1 17 17 HIS CB C 17 30.148 30.148 28.738 1.410 25069 7526 1 14 . 1 1 17 17 HIS H H 17 6.955 6.955 7.589 -0.634 25069 7527 1 14 . 1 1 18 18 LYS N N 18 120.739 120.739 120.876 -0.137 25069 7528 1 14 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.119 -0.401 25069 7529 1 14 . 1 1 18 18 LYS C C 18 177.006 177.006 177.793 -0.787 25069 7530 1 14 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.944 -0.076 25069 7531 1 14 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.359 -0.245 25069 7532 1 14 . 1 1 18 18 LYS H H 18 7.820 7.820 7.377 0.443 25069 7533 1 14 . 1 1 19 19 TYR N N 19 112.545 112.545 116.001 -3.456 25069 7534 1 14 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.455 -0.316 25069 7535 1 14 . 1 1 19 19 TYR C C 19 176.218 176.218 177.535 -1.317 25069 7536 1 14 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.125 -0.227 25069 7537 1 14 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.908 1.549 25069 7538 1 14 . 1 1 19 19 TYR H H 19 6.730 6.730 7.847 -1.117 25069 7539 1 14 . 1 1 20 20 SER N N 20 113.404 113.404 114.403 -0.999 25069 7540 1 14 . 1 1 20 20 SER HA H 20 3.385 3.385 4.651 -1.266 25069 7541 1 14 . 1 1 20 20 SER C C 20 176.961 176.961 175.951 1.010 25069 7542 1 14 . 1 1 20 20 SER CA C 20 61.866 61.866 60.133 1.733 25069 7543 1 14 . 1 1 20 20 SER CB C 20 60.904 60.904 63.763 -2.859 25069 7544 1 14 . 1 1 20 20 SER H H 20 8.493 8.493 8.495 -0.002 25069 7545 1 14 . 1 1 21 21 GLY N N 21 109.001 109.001 109.137 -0.136 25069 7546 1 14 . 1 1 21 21 GLY C C 21 173.502 173.502 174.368 -0.866 25069 7547 1 14 . 1 1 21 21 GLY CA C 21 45.539 45.539 45.093 0.446 25069 7548 1 14 . 1 1 21 21 GLY H H 21 7.512 7.512 7.721 -0.209 25069 7549 1 14 . 1 1 22 22 LYS N N 22 120.754 120.754 119.950 0.804 25069 7550 1 14 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.333 -0.538 25069 7551 1 14 . 1 1 22 22 LYS C C 22 177.354 177.354 176.537 0.817 25069 7552 1 14 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.270 2.737 25069 7553 1 14 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.836 -0.853 25069 7554 1 14 . 1 1 22 22 LYS H H 22 6.958 6.958 8.097 -1.139 25069 7555 1 14 . 1 1 23 23 GLU N N 23 115.305 115.305 119.377 -4.072 25069 7556 1 14 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.485 -0.027 25069 7557 1 14 . 1 1 23 23 GLU C C 23 176.733 176.733 176.503 0.230 25069 7558 1 14 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.059 -0.623 25069 7559 1 14 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.070 3.284 25069 7560 1 14 . 1 1 23 23 GLU H H 23 9.425 9.425 8.883 0.542 25069 7561 1 14 . 1 1 24 24 GLY N N 24 112.542 112.542 115.560 -3.018 25069 7562 1 14 . 1 1 24 24 GLY C C 24 173.486 173.486 174.491 -1.005 25069 7563 1 14 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.356 -0.014 25069 7564 1 14 . 1 1 24 24 GLY H H 24 8.879 8.879 8.726 0.153 25069 7565 1 14 . 1 1 25 25 ASP N N 25 125.117 125.117 122.115 3.002 25069 7566 1 14 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.799 -0.516 25069 7567 1 14 . 1 1 25 25 ASP C C 25 179.177 179.177 175.864 3.313 25069 7568 1 14 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.526 1.588 25069 7569 1 14 . 1 1 25 25 ASP CB C 25 41.736 41.736 41.851 -0.115 25069 7570 1 14 . 1 1 25 25 ASP H H 25 8.423 8.423 7.939 0.484 25069 7571 1 14 . 1 1 26 26 LYS N N 26 131.175 131.175 116.897 14.278 25069 7572 1 14 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.653 -0.457 25069 7573 1 14 . 1 1 26 26 LYS C C 26 176.638 176.638 174.723 1.915 25069 7574 1 14 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.834 1.134 25069 7575 1 14 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.552 -2.329 25069 7576 1 14 . 1 1 26 26 LYS H H 26 9.247 9.247 8.557 0.690 25069 7577 1 14 . 1 1 27 27 PHE N N 27 118.593 118.593 116.180 2.413 25069 7578 1 14 . 1 1 27 27 PHE HA H 27 4.699 4.699 3.455 1.244 25069 7579 1 14 . 1 1 27 27 PHE C C 27 173.452 173.452 173.658 -0.206 25069 7580 1 14 . 1 1 27 27 PHE CA C 27 56.032 56.032 56.669 -0.637 25069 7581 1 14 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.837 -1.746 25069 7582 1 14 . 1 1 27 27 PHE H H 27 9.335 9.335 7.978 1.357 25069 7583 1 14 . 1 1 28 28 LYS N N 28 113.854 113.854 118.823 -4.969 25069 7584 1 14 . 1 1 28 28 LYS HA H 28 5.004 5.004 4.796 0.208 25069 7585 1 14 . 1 1 28 28 LYS C C 28 174.468 174.468 175.134 -0.666 25069 7586 1 14 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.662 0.625 25069 7587 1 14 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.108 1.910 25069 7588 1 14 . 1 1 28 28 LYS H H 28 6.985 6.985 7.516 -0.531 25069 7589 1 14 . 1 1 29 29 LEU N N 29 124.858 124.858 124.773 0.085 25069 7590 1 14 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.908 0.105 25069 7591 1 14 . 1 1 29 29 LEU C C 29 175.791 175.791 176.331 -0.540 25069 7592 1 14 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.498 -0.899 25069 7593 1 14 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.215 1.341 25069 7594 1 14 . 1 1 29 29 LEU H H 29 9.454 9.454 8.949 0.505 25069 7595 1 14 . 1 1 30 30 ASN N N 30 122.896 122.896 122.347 0.549 25069 7596 1 14 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.020 -0.442 25069 7597 1 14 . 1 1 30 30 ASN C C 30 174.969 174.969 176.637 -1.668 25069 7598 1 14 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.151 -1.053 25069 7599 1 14 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.524 -2.166 25069 7600 1 14 . 1 1 30 30 ASN H H 30 9.560 9.560 8.067 1.493 25069 7601 1 14 . 1 1 31 31 LYS N N 31 115.136 115.136 119.756 -4.620 25069 7602 1 14 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.832 0.038 25069 7603 1 14 . 1 1 31 31 LYS C C 31 177.992 177.992 178.262 -0.270 25069 7604 1 14 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.810 0.225 25069 7605 1 14 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.817 0.388 25069 7606 1 14 . 1 1 31 31 LYS H H 31 8.204 8.204 8.883 -0.679 25069 7607 1 14 . 1 1 32 32 SER N N 32 113.755 113.755 114.255 -0.500 25069 7608 1 14 . 1 1 32 32 SER HA H 32 3.939 3.939 4.050 -0.111 25069 7609 1 14 . 1 1 32 32 SER C C 32 177.484 177.484 176.362 1.122 25069 7610 1 14 . 1 1 32 32 SER CA C 32 61.374 61.374 61.721 -0.347 25069 7611 1 14 . 1 1 32 32 SER CB C 32 62.733 62.733 62.652 0.081 25069 7612 1 14 . 1 1 32 32 SER H H 32 7.575 7.575 8.179 -0.604 25069 7613 1 14 . 1 1 33 33 GLU N N 33 122.657 122.657 122.346 0.311 25069 7614 1 14 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.165 -0.252 25069 7615 1 14 . 1 1 33 33 GLU C C 33 178.560 178.560 179.280 -0.720 25069 7616 1 14 . 1 1 33 33 GLU CA C 33 58.842 58.842 59.130 -0.288 25069 7617 1 14 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.538 1.661 25069 7618 1 14 . 1 1 33 33 GLU H H 33 8.608 8.608 7.723 0.885 25069 7619 1 14 . 1 1 34 34 LEU N N 34 117.375 117.375 122.177 -4.802 25069 7620 1 14 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.866 -0.061 25069 7621 1 14 . 1 1 34 34 LEU C C 34 177.693 177.693 178.185 -0.492 25069 7622 1 14 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.715 -0.939 25069 7623 1 14 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.865 -0.168 25069 7624 1 14 . 1 1 34 34 LEU H H 34 8.859 8.859 8.732 0.127 25069 7625 1 14 . 1 1 35 35 LYS N N 35 117.418 117.418 118.985 -1.567 25069 7626 1 14 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.799 -0.273 25069 7627 1 14 . 1 1 35 35 LYS C C 35 179.129 179.129 178.989 0.140 25069 7628 1 14 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.628 -0.462 25069 7629 1 14 . 1 1 35 35 LYS CB C 35 31.759 31.759 32.068 -0.309 25069 7630 1 14 . 1 1 35 35 LYS H H 35 7.901 7.901 8.363 -0.462 25069 7631 1 14 . 1 1 36 36 GLU N N 36 120.491 120.491 120.010 0.481 25069 7632 1 14 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.095 -0.376 25069 7633 1 14 . 1 1 36 36 GLU C C 36 176.354 176.354 179.376 -3.022 25069 7634 1 14 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.328 0.641 25069 7635 1 14 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.802 -0.409 25069 7636 1 14 . 1 1 36 36 GLU H H 36 7.619 7.619 8.400 -0.781 25069 7637 1 14 . 1 1 37 37 LEU N N 37 120.058 120.058 121.637 -1.579 25069 7638 1 14 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.489 -1.064 25069 7639 1 14 . 1 1 37 37 LEU C C 37 179.412 179.412 178.755 0.657 25069 7640 1 14 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.709 1.728 25069 7641 1 14 . 1 1 37 37 LEU CB C 37 41.804 41.804 42.049 -0.245 25069 7642 1 14 . 1 1 37 37 LEU H H 37 7.762 7.762 8.397 -0.635 25069 7643 1 14 . 1 1 38 38 LEU N N 38 116.987 116.987 120.703 -3.716 25069 7644 1 14 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.212 -0.547 25069 7645 1 14 . 1 1 38 38 LEU C C 38 178.279 178.279 180.092 -1.813 25069 7646 1 14 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.214 0.464 25069 7647 1 14 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.827 1.487 25069 7648 1 14 . 1 1 38 38 LEU H H 38 8.532 8.532 8.831 -0.299 25069 7649 1 14 . 1 1 39 39 THR N N 39 108.650 108.650 111.176 -2.526 25069 7650 1 14 . 1 1 39 39 THR HA H 39 3.693 3.693 4.005 -0.312 25069 7651 1 14 . 1 1 39 39 THR C C 39 176.231 176.231 177.100 -0.869 25069 7652 1 14 . 1 1 39 39 THR CA C 39 65.997 65.997 66.366 -0.369 25069 7653 1 14 . 1 1 39 39 THR CB C 39 69.618 69.618 68.559 1.059 25069 7654 1 14 . 1 1 39 39 THR H H 39 7.883 7.883 8.508 -0.625 25069 7655 1 14 . 1 1 40 40 ARG N N 40 115.482 115.482 119.877 -4.395 25069 7656 1 14 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.283 -0.131 25069 7657 1 14 . 1 1 40 40 ARG C C 40 178.520 178.520 178.271 0.249 25069 7658 1 14 . 1 1 40 40 ARG CA C 40 58.035 58.035 57.980 0.055 25069 7659 1 14 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.845 0.400 25069 7660 1 14 . 1 1 40 40 ARG H H 40 8.015 8.015 7.984 0.031 25069 7661 1 14 . 1 1 41 41 GLU N N 41 112.106 112.106 115.894 -3.788 25069 7662 1 14 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.439 0.395 25069 7663 1 14 . 1 1 41 41 GLU C C 41 177.856 177.856 176.241 1.615 25069 7664 1 14 . 1 1 41 41 GLU CA C 41 55.198 55.198 55.696 -0.497 25069 7665 1 14 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.302 0.019 25069 7666 1 14 . 1 1 41 41 GLU H H 41 8.463 8.463 8.368 0.095 25069 7667 1 14 . 1 1 42 42 LEU N N 42 119.287 119.287 120.826 -1.539 25069 7668 1 14 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.886 0.166 25069 7669 1 14 . 1 1 42 42 LEU C C 42 174.457 174.457 174.188 0.269 25069 7670 1 14 . 1 1 42 42 LEU CA C 42 52.838 52.838 53.056 -0.218 25069 7671 1 14 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.431 1.652 25069 7672 1 14 . 1 1 42 42 LEU H H 42 7.688 7.688 7.613 0.075 25069 7673 1 14 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.393 -0.189 25069 7674 1 14 . 1 1 43 43 PRO C C 43 179.969 179.969 178.909 1.060 25069 7675 1 14 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.777 -0.088 25069 7676 1 14 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.033 -1.206 25069 7677 1 14 . 1 1 44 44 SER N N 44 114.352 114.352 113.408 0.944 25069 7678 1 14 . 1 1 44 44 SER HA H 44 4.093 4.093 4.264 -0.171 25069 7679 1 14 . 1 1 44 44 SER C C 44 175.709 175.709 176.298 -0.589 25069 7680 1 14 . 1 1 44 44 SER CA C 44 60.793 60.793 61.226 -0.433 25069 7681 1 14 . 1 1 44 44 SER CB C 44 62.400 62.400 62.868 -0.468 25069 7682 1 14 . 1 1 44 44 SER H H 44 8.674 8.674 8.257 0.417 25069 7683 1 14 . 1 1 45 45 PHE N N 45 121.558 121.558 120.568 0.990 25069 7684 1 14 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.235 -0.083 25069 7685 1 14 . 1 1 45 45 PHE C C 45 176.441 176.441 176.639 -0.198 25069 7686 1 14 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.109 -0.775 25069 7687 1 14 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.050 0.739 25069 7688 1 14 . 1 1 45 45 PHE H H 45 7.952 7.952 8.193 -0.241 25069 7689 1 14 . 1 1 46 46 LEU N N 46 117.590 117.590 117.168 0.422 25069 7690 1 14 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.494 -0.658 25069 7691 1 14 . 1 1 46 46 LEU C C 46 178.236 178.236 179.426 -1.190 25069 7692 1 14 . 1 1 46 46 LEU CA C 46 56.144 56.144 56.374 -0.230 25069 7693 1 14 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.322 0.194 25069 7694 1 14 . 1 1 46 46 LEU H H 46 7.906 7.906 8.266 -0.360 25069 7695 1 14 . 1 1 47 47 GLY N N 47 104.817 104.817 107.700 -2.883 25069 7696 1 14 . 1 1 47 47 GLY C C 47 174.665 174.665 176.068 -1.403 25069 7697 1 14 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.724 -0.739 25069 7698 1 14 . 1 1 47 47 GLY H H 47 7.646 7.646 7.794 -0.148 25069 7699 1 14 . 1 1 48 48 LYS N N 48 120.422 120.422 120.207 0.215 25069 7700 1 14 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.093 0.059 25069 7701 1 14 . 1 1 48 48 LYS C C 48 177.029 177.029 176.665 0.364 25069 7702 1 14 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.010 -0.530 25069 7703 1 14 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.927 -0.675 25069 7704 1 14 . 1 1 48 48 LYS H H 48 8.400 8.400 7.350 1.050 25069 7705 1 14 . 1 1 49 49 ARG N N 49 119.815 119.815 118.748 1.067 25069 7706 1 14 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.490 -0.187 25069 7707 1 14 . 1 1 49 49 ARG C C 49 175.183 175.183 174.976 0.207 25069 7708 1 14 . 1 1 49 49 ARG CA C 49 55.699 55.699 56.171 -0.472 25069 7709 1 14 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.668 -1.161 25069 7710 1 14 . 1 1 49 49 ARG H H 49 7.801 7.801 8.040 -0.239 25069 7711 1 14 . 1 1 50 50 THR N N 50 110.525 110.525 116.668 -6.143 25069 7712 1 14 . 1 1 50 50 THR HA H 50 4.091 4.091 4.456 -0.365 25069 7713 1 14 . 1 1 50 50 THR C C 50 174.108 174.108 173.911 0.197 25069 7714 1 14 . 1 1 50 50 THR CA C 50 61.579 61.579 61.429 0.149 25069 7715 1 14 . 1 1 50 50 THR CB C 50 69.136 69.136 67.769 1.367 25069 7716 1 14 . 1 1 50 50 THR H H 50 7.808 7.808 8.521 -0.713 25069 7717 1 14 . 1 1 51 51 ASP N N 51 121.073 121.073 121.879 -0.806 25069 7718 1 14 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.721 -0.161 25069 7719 1 14 . 1 1 51 51 ASP C C 51 175.715 175.715 176.936 -1.221 25069 7720 1 14 . 1 1 51 51 ASP CA C 51 53.054 53.054 52.960 0.094 25069 7721 1 14 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.340 -1.529 25069 7722 1 14 . 1 1 51 51 ASP H H 51 7.924 7.924 7.507 0.417 25069 7723 1 14 . 1 1 52 52 GLU N N 52 120.418 120.418 122.041 -1.623 25069 7724 1 14 . 1 1 52 52 GLU HA H 52 4.042 4.042 3.177 0.865 25069 7725 1 14 . 1 1 52 52 GLU C C 52 178.726 178.726 177.908 0.818 25069 7726 1 14 . 1 1 52 52 GLU CA C 52 59.560 59.560 59.263 0.297 25069 7727 1 14 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.373 0.011 25069 7728 1 14 . 1 1 52 52 GLU H H 52 8.515 8.515 8.802 -0.287 25069 7729 1 14 . 1 1 53 53 ALA N N 53 120.807 120.807 121.081 -0.274 25069 7730 1 14 . 1 1 53 53 ALA HA H 53 4.036 4.036 3.842 0.194 25069 7731 1 14 . 1 1 53 53 ALA C C 53 180.416 180.416 179.097 1.319 25069 7732 1 14 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.998 0.143 25069 7733 1 14 . 1 1 53 53 ALA CB C 53 17.944 17.944 17.985 -0.041 25069 7734 1 14 . 1 1 53 53 ALA H H 53 8.242 8.242 8.566 -0.324 25069 7735 1 14 . 1 1 54 54 ALA N N 54 121.069 121.069 122.380 -1.311 25069 7736 1 14 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.036 -0.109 25069 7737 1 14 . 1 1 54 54 ALA C C 54 180.846 180.846 179.393 1.453 25069 7738 1 14 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.948 0.029 25069 7739 1 14 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.383 -0.046 25069 7740 1 14 . 1 1 54 54 ALA H H 54 7.874 7.874 7.608 0.266 25069 7741 1 14 . 1 1 55 55 PHE N N 55 118.066 118.066 118.022 0.044 25069 7742 1 14 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.224 -0.257 25069 7743 1 14 . 1 1 55 55 PHE C C 55 177.160 177.160 177.696 -0.536 25069 7744 1 14 . 1 1 55 55 PHE CA C 55 62.029 62.029 59.411 2.618 25069 7745 1 14 . 1 1 55 55 PHE CB C 55 38.832 38.832 37.709 1.123 25069 7746 1 14 . 1 1 55 55 PHE H H 55 8.013 8.013 7.887 0.126 25069 7747 1 14 . 1 1 56 56 GLN N N 56 118.474 118.474 121.638 -3.164 25069 7748 1 14 . 1 1 56 56 GLN HA H 56 3.740 3.740 4.006 -0.266 25069 7749 1 14 . 1 1 56 56 GLN C C 56 178.531 178.531 178.035 0.496 25069 7750 1 14 . 1 1 56 56 GLN CA C 56 58.832 58.832 58.768 0.064 25069 7751 1 14 . 1 1 56 56 GLN CB C 56 27.854 27.854 27.813 0.041 25069 7752 1 14 . 1 1 56 56 GLN H H 56 8.265 8.265 7.976 0.289 25069 7753 1 14 . 1 1 57 57 LYS N N 57 119.207 119.207 120.343 -1.136 25069 7754 1 14 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.091 -0.238 25069 7755 1 14 . 1 1 57 57 LYS C C 57 178.458 178.458 179.628 -1.170 25069 7756 1 14 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.872 0.205 25069 7757 1 14 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.054 0.079 25069 7758 1 14 . 1 1 57 57 LYS H H 57 7.622 7.622 8.080 -0.458 25069 7759 1 14 . 1 1 58 58 LEU N N 58 119.398 119.398 121.748 -2.350 25069 7760 1 14 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.985 -0.080 25069 7761 1 14 . 1 1 58 58 LEU C C 58 178.444 178.444 178.141 0.303 25069 7762 1 14 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.864 0.257 25069 7763 1 14 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.820 -0.166 25069 7764 1 14 . 1 1 58 58 LEU H H 58 7.504 7.504 8.436 -0.932 25069 7765 1 14 . 1 1 59 59 MET N N 59 116.434 116.434 119.594 -3.160 25069 7766 1 14 . 1 1 59 59 MET HA H 59 3.614 3.614 3.892 -0.278 25069 7767 1 14 . 1 1 59 59 MET C C 59 177.513 177.513 177.752 -0.239 25069 7768 1 14 . 1 1 59 59 MET CA C 59 58.765 58.765 60.049 -1.284 25069 7769 1 14 . 1 1 59 59 MET CB C 59 31.060 31.060 32.486 -1.427 25069 7770 1 14 . 1 1 59 59 MET H H 59 8.049 8.049 8.669 -0.620 25069 7771 1 14 . 1 1 60 60 SER N N 60 111.447 111.447 113.920 -2.473 25069 7772 1 14 . 1 1 60 60 SER HA H 60 4.066 4.066 4.144 -0.078 25069 7773 1 14 . 1 1 60 60 SER C C 60 175.986 175.986 176.463 -0.477 25069 7774 1 14 . 1 1 60 60 SER CA C 60 61.416 61.416 60.919 0.497 25069 7775 1 14 . 1 1 60 60 SER CB C 60 62.945 62.945 62.277 0.668 25069 7776 1 14 . 1 1 60 60 SER H H 60 7.839 7.839 8.008 -0.169 25069 7777 1 14 . 1 1 61 61 ASN N N 61 117.559 117.559 119.830 -2.271 25069 7778 1 14 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.557 -0.207 25069 7779 1 14 . 1 1 61 61 ASN C C 61 176.377 176.377 177.729 -1.352 25069 7780 1 14 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.300 -0.298 25069 7781 1 14 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.601 0.272 25069 7782 1 14 . 1 1 61 61 ASN H H 61 7.615 7.615 7.865 -0.250 25069 7783 1 14 . 1 1 62 62 LEU N N 62 117.926 117.926 118.612 -0.686 25069 7784 1 14 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.241 -0.213 25069 7785 1 14 . 1 1 62 62 LEU C C 62 178.394 178.394 177.656 0.738 25069 7786 1 14 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.519 0.478 25069 7787 1 14 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.198 1.204 25069 7788 1 14 . 1 1 62 62 LEU H H 62 7.719 7.719 7.866 -0.147 25069 7789 1 14 . 1 1 63 63 ASP N N 63 115.899 115.899 120.023 -4.124 25069 7790 1 14 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.804 -0.236 25069 7791 1 14 . 1 1 63 63 ASP C C 63 176.866 176.866 176.927 -0.061 25069 7792 1 14 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.644 -0.904 25069 7793 1 14 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.982 -0.496 25069 7794 1 14 . 1 1 63 63 ASP H H 63 7.707 7.707 8.631 -0.924 25069 7795 1 14 . 1 1 64 64 SER N N 64 121.158 121.158 122.717 -1.559 25069 7796 1 14 . 1 1 64 64 SER HA H 64 4.080 4.080 4.356 -0.276 25069 7797 1 14 . 1 1 64 64 SER C C 64 175.780 175.780 175.093 0.687 25069 7798 1 14 . 1 1 64 64 SER CA C 64 60.698 60.698 60.837 -0.138 25069 7799 1 14 . 1 1 64 64 SER CB C 64 63.034 63.034 63.286 -0.252 25069 7800 1 14 . 1 1 64 64 SER H H 64 8.034 8.034 8.517 -0.483 25069 7801 1 14 . 1 1 65 65 ASN N N 65 115.443 115.443 117.455 -2.012 25069 7802 1 14 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.543 0.121 25069 7803 1 14 . 1 1 65 65 ASN C C 65 174.775 174.775 175.149 -0.374 25069 7804 1 14 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.475 -1.476 25069 7805 1 14 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.357 -1.186 25069 7806 1 14 . 1 1 65 65 ASN H H 65 8.055 8.055 7.880 0.175 25069 7807 1 14 . 1 1 66 66 ARG N N 66 114.242 114.242 116.131 -1.889 25069 7808 1 14 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.521 -0.594 25069 7809 1 14 . 1 1 66 66 ARG C C 66 175.354 175.354 175.222 0.132 25069 7810 1 14 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.455 -0.296 25069 7811 1 14 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.177 -0.324 25069 7812 1 14 . 1 1 66 66 ARG H H 66 7.560 7.560 8.192 -0.632 25069 7813 1 14 . 1 1 67 67 ASP N N 67 118.260 118.260 119.050 -0.790 25069 7814 1 14 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.765 -0.163 25069 7815 1 14 . 1 1 67 67 ASP C C 67 177.143 177.143 175.491 1.652 25069 7816 1 14 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.825 -0.806 25069 7817 1 14 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.175 -0.471 25069 7818 1 14 . 1 1 67 67 ASP H H 67 8.406 8.406 8.370 0.036 25069 7819 1 14 . 1 1 68 68 ASN N N 68 115.091 115.091 115.209 -0.118 25069 7820 1 14 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.451 -0.472 25069 7821 1 14 . 1 1 68 68 ASN C C 68 173.046 173.046 173.449 -0.403 25069 7822 1 14 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.319 1.018 25069 7823 1 14 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.752 0.138 25069 7824 1 14 . 1 1 68 68 ASN H H 68 10.021 10.021 8.437 1.584 25069 7825 1 14 . 1 1 69 69 GLU N N 69 115.671 115.671 116.725 -1.054 25069 7826 1 14 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.981 -0.283 25069 7827 1 14 . 1 1 69 69 GLU C C 69 175.335 175.335 175.276 0.059 25069 7828 1 14 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.901 -0.030 25069 7829 1 14 . 1 1 69 69 GLU CB C 69 35.633 35.633 32.861 2.772 25069 7830 1 14 . 1 1 69 69 GLU H H 69 7.724 7.724 7.837 -0.113 25069 7831 1 14 . 1 1 70 70 VAL N N 70 124.606 124.606 125.807 -1.201 25069 7832 1 14 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.064 1.071 25069 7833 1 14 . 1 1 70 70 VAL C C 70 175.876 175.876 176.141 -0.265 25069 7834 1 14 . 1 1 70 70 VAL CA C 70 61.142 61.142 61.945 -0.803 25069 7835 1 14 . 1 1 70 70 VAL CB C 70 33.557 33.557 31.767 1.790 25069 7836 1 14 . 1 1 70 70 VAL H H 70 9.814 9.814 8.724 1.090 25069 7837 1 14 . 1 1 71 71 ASP N N 71 127.612 127.612 127.948 -0.336 25069 7838 1 14 . 1 1 71 71 ASP HA H 71 5.025 5.025 4.772 0.253 25069 7839 1 14 . 1 1 71 71 ASP C C 71 175.018 175.018 177.655 -2.637 25069 7840 1 14 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.717 -1.156 25069 7841 1 14 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.593 -0.613 25069 7842 1 14 . 1 1 71 71 ASP H H 71 8.896 8.896 8.043 0.853 25069 7843 1 14 . 1 1 72 72 PHE N N 72 117.738 117.738 119.372 -1.634 25069 7844 1 14 . 1 1 72 72 PHE C C 72 177.390 177.390 177.817 -0.427 25069 7845 1 14 . 1 1 72 72 PHE CA C 72 63.026 63.026 60.228 2.798 25069 7846 1 14 . 1 1 72 72 PHE CB C 72 39.228 39.228 37.660 1.569 25069 7847 1 14 . 1 1 72 72 PHE H H 72 8.993 8.993 7.952 1.041 25069 7848 1 14 . 1 1 73 73 GLN N N 73 120.479 120.479 118.404 2.075 25069 7849 1 14 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.998 -0.194 25069 7850 1 14 . 1 1 73 73 GLN C C 73 178.583 178.583 178.324 0.259 25069 7851 1 14 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.469 0.591 25069 7852 1 14 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.412 -0.584 25069 7853 1 14 . 1 1 73 73 GLN H H 73 8.246 8.246 8.841 -0.595 25069 7854 1 14 . 1 1 74 74 GLU N N 74 120.179 120.179 118.951 1.228 25069 7855 1 14 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.060 -0.216 25069 7856 1 14 . 1 1 74 74 GLU C C 74 180.584 180.584 179.162 1.422 25069 7857 1 14 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.116 -0.103 25069 7858 1 14 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.589 0.817 25069 7859 1 14 . 1 1 74 74 GLU H H 74 8.782 8.782 8.955 -0.173 25069 7860 1 14 . 1 1 75 75 TYR N N 75 122.109 122.109 120.298 1.811 25069 7861 1 14 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.352 -0.340 25069 7862 1 14 . 1 1 75 75 TYR C C 75 175.383 175.383 177.330 -1.947 25069 7863 1 14 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.124 -0.901 25069 7864 1 14 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.919 -0.128 25069 7865 1 14 . 1 1 75 75 TYR H H 75 8.619 8.619 8.499 0.120 25069 7866 1 14 . 1 1 76 76 SER N N 76 117.790 117.790 115.997 1.793 25069 7867 1 14 . 1 1 76 76 SER HA H 76 3.326 3.326 4.346 -1.020 25069 7868 1 14 . 1 1 76 76 SER C C 76 176.930 176.930 176.777 0.153 25069 7869 1 14 . 1 1 76 76 SER CA C 76 62.377 62.377 61.973 0.404 25069 7870 1 14 . 1 1 76 76 SER CB C 76 62.573 62.573 62.961 -0.388 25069 7871 1 14 . 1 1 76 76 SER H H 76 8.654 8.654 8.341 0.313 25069 7872 1 14 . 1 1 77 77 VAL N N 77 123.033 123.033 122.943 0.090 25069 7873 1 14 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.870 -0.291 25069 7874 1 14 . 1 1 77 77 VAL C C 77 178.969 178.969 177.842 1.127 25069 7875 1 14 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.125 -0.029 25069 7876 1 14 . 1 1 77 77 VAL CB C 77 31.977 31.977 30.920 1.057 25069 7877 1 14 . 1 1 77 77 VAL H H 77 7.844 7.844 8.579 -0.735 25069 7878 1 14 . 1 1 78 78 PHE N N 78 121.473 121.473 122.360 -0.887 25069 7879 1 14 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.157 0.191 25069 7880 1 14 . 1 1 78 78 PHE C C 78 177.726 177.726 178.114 -0.388 25069 7881 1 14 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.332 -1.003 25069 7882 1 14 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.320 0.224 25069 7883 1 14 . 1 1 78 78 PHE H H 78 7.439 7.439 7.531 -0.092 25069 7884 1 14 . 1 1 79 79 LEU N N 79 118.574 118.574 118.301 0.273 25069 7885 1 14 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.173 0.057 25069 7886 1 14 . 1 1 79 79 LEU C C 79 178.837 178.837 178.539 0.298 25069 7887 1 14 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.765 -0.035 25069 7888 1 14 . 1 1 79 79 LEU CB C 79 40.452 40.452 41.032 -0.580 25069 7889 1 14 . 1 1 79 79 LEU H H 79 8.298 8.298 8.069 0.229 25069 7890 1 14 . 1 1 80 80 SER N N 80 112.827 112.827 115.236 -2.409 25069 7891 1 14 . 1 1 80 80 SER HA H 80 3.978 3.978 4.091 -0.113 25069 7892 1 14 . 1 1 80 80 SER C C 80 175.796 175.796 176.604 -0.808 25069 7893 1 14 . 1 1 80 80 SER CA C 80 62.278 62.278 61.625 0.653 25069 7894 1 14 . 1 1 80 80 SER CB C 80 63.148 63.148 62.887 0.261 25069 7895 1 14 . 1 1 80 80 SER H H 80 7.728 7.728 8.096 -0.368 25069 7896 1 14 . 1 1 81 81 SER N N 81 117.584 117.584 119.411 -1.827 25069 7897 1 14 . 1 1 81 81 SER HA H 81 4.151 4.151 4.172 -0.021 25069 7898 1 14 . 1 1 81 81 SER C C 81 176.761 176.761 176.824 -0.063 25069 7899 1 14 . 1 1 81 81 SER CA C 81 61.673 61.673 61.352 0.321 25069 7900 1 14 . 1 1 81 81 SER CB C 81 62.441 62.441 62.445 -0.004 25069 7901 1 14 . 1 1 81 81 SER H H 81 7.703 7.703 8.307 -0.604 25069 7902 1 14 . 1 1 82 82 ILE N N 82 122.194 122.194 122.984 -0.790 25069 7903 1 14 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.673 -0.025 25069 7904 1 14 . 1 1 82 82 ILE C C 82 178.743 178.743 177.404 1.339 25069 7905 1 14 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.178 -1.029 25069 7906 1 14 . 1 1 82 82 ILE CB C 82 36.725 36.725 36.980 -0.255 25069 7907 1 14 . 1 1 82 82 ILE H H 82 7.490 7.490 7.937 -0.447 25069 7908 1 14 . 1 1 83 83 ALA N N 83 123.288 123.288 122.023 1.265 25069 7909 1 14 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.993 -0.179 25069 7910 1 14 . 1 1 83 83 ALA C C 83 179.019 179.019 180.007 -0.988 25069 7911 1 14 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.012 0.515 25069 7912 1 14 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.300 -0.652 25069 7913 1 14 . 1 1 83 83 ALA H H 83 8.190 8.190 7.457 0.733 25069 7914 1 14 . 1 1 84 84 MET N N 84 114.549 114.549 117.494 -2.945 25069 7915 1 14 . 1 1 84 84 MET HA H 84 4.660 4.660 4.157 0.503 25069 7916 1 14 . 1 1 84 84 MET C C 84 174.776 174.776 178.314 -3.538 25069 7917 1 14 . 1 1 84 84 MET CA C 84 58.603 58.603 59.145 -0.542 25069 7918 1 14 . 1 1 84 84 MET CB C 84 37.147 37.147 32.815 4.332 25069 7919 1 14 . 1 1 84 84 MET H H 84 8.060 8.060 8.483 -0.423 25069 7920 1 14 . 1 1 85 85 MET N N 85 114.638 114.638 119.478 -4.840 25069 7921 1 14 . 1 1 85 85 MET HA H 85 4.079 4.079 4.454 -0.375 25069 7922 1 14 . 1 1 85 85 MET C C 85 178.153 178.153 178.672 -0.519 25069 7923 1 14 . 1 1 85 85 MET CA C 85 58.444 58.444 58.379 0.065 25069 7924 1 14 . 1 1 85 85 MET CB C 85 32.523 32.523 31.903 0.620 25069 7925 1 14 . 1 1 85 85 MET H H 85 8.097 8.097 8.448 -0.351 25069 7926 1 14 . 1 1 86 86 SER N N 86 114.719 114.719 114.490 0.229 25069 7927 1 14 . 1 1 86 86 SER HA H 86 4.184 4.184 4.312 -0.128 25069 7928 1 14 . 1 1 86 86 SER C C 86 176.656 176.656 176.815 -0.159 25069 7929 1 14 . 1 1 86 86 SER CA C 86 60.867 60.867 61.252 -0.385 25069 7930 1 14 . 1 1 86 86 SER CB C 86 63.250 63.250 62.944 0.306 25069 7931 1 14 . 1 1 86 86 SER H H 86 8.119 8.119 8.660 -0.541 25069 7932 1 14 . 1 1 87 87 ASN N N 87 119.754 119.754 120.463 -0.709 25069 7933 1 14 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.555 0.023 25069 7934 1 14 . 1 1 87 87 ASN C C 87 176.062 176.062 177.455 -1.393 25069 7935 1 14 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.412 -0.236 25069 7936 1 14 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.708 0.040 25069 7937 1 14 . 1 1 87 87 ASN H H 87 8.328 8.328 7.817 0.511 25069 7938 1 14 . 1 1 88 88 GLU N N 88 117.928 117.928 119.568 -1.640 25069 7939 1 14 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.407 -0.668 25069 7940 1 14 . 1 1 88 88 GLU C C 88 177.870 177.870 179.165 -1.295 25069 7941 1 14 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.773 0.159 25069 7942 1 14 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.473 -0.192 25069 7943 1 14 . 1 1 88 88 GLU H H 88 7.747 7.747 8.732 -0.985 25069 7944 1 14 . 1 1 89 89 PHE N N 89 116.133 116.133 120.535 -4.402 25069 7945 1 14 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.200 -0.031 25069 7946 1 14 . 1 1 89 89 PHE C C 89 176.404 176.404 176.716 -0.312 25069 7947 1 14 . 1 1 89 89 PHE CA C 89 59.056 59.056 60.378 -1.322 25069 7948 1 14 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.372 -0.530 25069 7949 1 14 . 1 1 89 89 PHE H H 89 7.465 7.465 7.893 -0.428 25069 7950 1 14 . 1 1 90 90 PHE N N 90 119.130 119.130 120.122 -0.992 25069 7951 1 14 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.144 -0.089 25069 7952 1 14 . 1 1 90 90 PHE C C 90 176.420 176.420 176.330 0.090 25069 7953 1 14 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.500 -0.730 25069 7954 1 14 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.245 0.068 25069 7955 1 14 . 1 1 90 90 PHE H H 90 7.537 7.537 7.410 0.127 25069 7956 1 14 . 1 1 91 91 GLU N N 91 118.971 118.971 117.576 1.395 25069 7957 1 14 . 1 1 91 91 GLU HA H 91 3.740 3.740 3.992 -0.252 25069 7958 1 14 . 1 1 91 91 GLU C C 91 176.491 176.491 177.330 -0.839 25069 7959 1 14 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.230 0.001 25069 7960 1 14 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.206 -0.158 25069 7961 1 14 . 1 1 91 91 GLU H H 91 7.938 7.938 7.869 0.069 25069 7962 1 14 . 1 1 92 92 GLY N N 92 105.912 105.912 105.751 0.161 25069 7963 1 14 . 1 1 92 92 GLY C C 92 173.288 173.288 173.565 -0.277 25069 7964 1 14 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.956 0.108 25069 7965 1 14 . 1 1 92 92 GLY H H 92 7.201 7.201 7.619 -0.418 25069 7966 1 14 . 1 1 93 93 PHE N N 93 118.877 118.877 119.065 -0.188 25069 7967 1 14 . 1 1 93 93 PHE C C 93 174.128 174.128 173.286 0.842 25069 7968 1 14 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.955 1.254 25069 7969 1 14 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.851 -3.081 25069 7970 1 14 . 1 1 93 93 PHE H H 93 7.844 7.844 7.448 0.396 25069 7971 1 14 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.856 -0.650 25069 7972 1 14 . 1 1 94 94 PRO C C 94 176.669 176.669 176.140 0.529 25069 7973 1 14 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.267 0.434 25069 7974 1 14 . 1 1 94 94 PRO CB C 94 31.836 31.836 31.209 0.627 25069 7975 1 14 . 1 1 95 95 ASP N N 95 118.031 118.031 124.171 -6.140 25069 7976 1 14 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.785 -0.378 25069 7977 1 14 . 1 1 95 95 ASP C C 95 176.139 176.139 176.817 -0.678 25069 7978 1 14 . 1 1 95 95 ASP CA C 95 54.481 54.481 53.819 0.662 25069 7979 1 14 . 1 1 95 95 ASP CB C 95 41.021 41.021 43.299 -2.278 25069 7980 1 14 . 1 1 95 95 ASP H H 95 8.144 8.144 9.485 -1.341 25069 7981 1 14 . 1 1 96 96 LYS N N 96 119.472 119.472 119.224 0.248 25069 7982 1 14 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.229 -0.092 25069 7983 1 14 . 1 1 96 96 LYS C C 96 176.212 176.212 176.988 -0.776 25069 7984 1 14 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.183 -1.004 25069 7985 1 14 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.507 0.276 25069 7986 1 14 . 1 1 96 96 LYS H H 96 7.980 7.980 8.294 -0.314 25069 7987 1 14 . 1 1 97 97 GLN N N 97 120.185 120.185 118.728 1.457 25069 7988 1 14 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.577 -0.156 25069 7989 1 14 . 1 1 97 97 GLN C C 97 173.700 173.700 174.680 -0.980 25069 7990 1 14 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.590 0.213 25069 7991 1 14 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.829 -0.097 25069 7992 1 14 . 1 1 97 97 GLN H H 97 8.007 8.007 7.734 0.273 25069 7993 1 14 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.469 -0.226 25069 7994 1 14 . 1 1 98 98 PRO C C 98 176.605 176.605 176.135 0.470 25069 7995 1 14 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.705 0.309 25069 7996 1 14 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.881 0.056 25069 7997 1 14 . 1 1 99 99 ARG N N 99 120.677 120.677 120.864 -0.187 25069 7998 1 14 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.388 -0.243 25069 7999 1 14 . 1 1 99 99 ARG C C 99 176.053 176.053 176.345 -0.292 25069 8000 1 14 . 1 1 99 99 ARG CA C 99 55.972 55.972 55.586 0.386 25069 8001 1 14 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.925 1.969 25069 8002 1 14 . 1 1 99 99 ARG H H 99 8.254 8.254 7.991 0.263 25069 8003 1 14 . 1 1 100 100 LYS N N 100 122.775 122.775 119.913 2.862 25069 8004 1 14 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.012 0.132 25069 8005 1 14 . 1 1 100 100 LYS C C 100 175.376 175.376 176.434 -1.058 25069 8006 1 14 . 1 1 100 100 LYS CA C 100 56.396 56.396 58.116 -1.720 25069 8007 1 14 . 1 1 100 100 LYS CB C 100 33.289 33.289 31.560 1.729 25069 8008 1 14 . 1 1 100 100 LYS H H 100 8.230 8.230 8.678 -0.448 25069 8009 1 15 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.407 -0.198 25069 8010 1 15 . 1 1 2 2 ALA C C 2 173.983 173.983 177.464 -3.481 25069 8011 1 15 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.632 -0.030 25069 8012 1 15 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.808 2.067 25069 8013 1 15 . 1 1 3 3 SER N N 3 121.630 121.630 121.119 0.511 25069 8014 1 15 . 1 1 3 3 SER C C 3 172.689 172.689 174.218 -1.529 25069 8015 1 15 . 1 1 3 3 SER CA C 3 56.943 56.943 58.271 -1.328 25069 8016 1 15 . 1 1 3 3 SER CB C 3 63.102 63.102 61.292 1.810 25069 8017 1 15 . 1 1 3 3 SER H H 3 9.907 9.907 8.108 1.799 25069 8018 1 15 . 1 1 4 4 PRO C C 4 179.695 179.695 177.992 1.703 25069 8019 1 15 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.565 0.169 25069 8020 1 15 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.472 0.308 25069 8021 1 15 . 1 1 5 5 LEU N N 5 118.522 118.522 119.034 -0.512 25069 8022 1 15 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.962 0.069 25069 8023 1 15 . 1 1 5 5 LEU C C 5 177.968 177.968 178.572 -0.604 25069 8024 1 15 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.364 -0.716 25069 8025 1 15 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.782 0.852 25069 8026 1 15 . 1 1 5 5 LEU H H 5 8.277 8.277 7.399 0.878 25069 8027 1 15 . 1 1 6 6 GLU N N 6 118.997 118.997 118.445 0.552 25069 8028 1 15 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.044 -0.348 25069 8029 1 15 . 1 1 6 6 GLU C C 6 180.177 180.177 179.213 0.964 25069 8030 1 15 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.336 1.003 25069 8031 1 15 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.185 0.649 25069 8032 1 15 . 1 1 6 6 GLU H H 6 8.130 8.130 7.906 0.224 25069 8033 1 15 . 1 1 7 7 LYS N N 7 117.838 117.838 118.461 -0.623 25069 8034 1 15 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.185 -0.189 25069 8035 1 15 . 1 1 7 7 LYS C C 7 178.764 178.764 178.733 0.031 25069 8036 1 15 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.014 1.342 25069 8037 1 15 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.810 0.349 25069 8038 1 15 . 1 1 7 7 LYS H H 7 8.341 8.341 7.877 0.464 25069 8039 1 15 . 1 1 8 8 ALA N N 8 122.327 122.327 122.173 0.154 25069 8040 1 15 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.222 -0.243 25069 8041 1 15 . 1 1 8 8 ALA C C 8 179.482 179.482 179.410 0.072 25069 8042 1 15 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.443 0.725 25069 8043 1 15 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.071 0.223 25069 8044 1 15 . 1 1 8 8 ALA H H 8 8.082 8.082 8.070 0.012 25069 8045 1 15 . 1 1 9 9 LEU N N 9 118.212 118.212 117.834 0.378 25069 8046 1 15 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.903 0.044 25069 8047 1 15 . 1 1 9 9 LEU C C 9 178.844 178.844 178.436 0.408 25069 8048 1 15 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.469 0.740 25069 8049 1 15 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.040 0.576 25069 8050 1 15 . 1 1 9 9 LEU H H 9 8.042 8.042 7.792 0.250 25069 8051 1 15 . 1 1 10 10 ASP N N 10 117.997 117.997 119.169 -1.172 25069 8052 1 15 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.429 -0.042 25069 8053 1 15 . 1 1 10 10 ASP C C 10 179.582 179.582 178.248 1.334 25069 8054 1 15 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.179 0.591 25069 8055 1 15 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.137 -0.143 25069 8056 1 15 . 1 1 10 10 ASP H H 10 7.587 7.587 7.601 -0.014 25069 8057 1 15 . 1 1 11 11 VAL N N 11 120.702 120.702 119.605 1.097 25069 8058 1 15 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.868 -0.131 25069 8059 1 15 . 1 1 11 11 VAL C C 11 180.061 180.061 178.139 1.922 25069 8060 1 15 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.547 0.597 25069 8061 1 15 . 1 1 11 11 VAL CB C 11 31.626 31.626 30.936 0.690 25069 8062 1 15 . 1 1 11 11 VAL H H 11 8.099 8.099 7.645 0.454 25069 8063 1 15 . 1 1 12 12 MET N N 12 123.185 123.185 120.409 2.776 25069 8064 1 15 . 1 1 12 12 MET HA H 12 3.921 3.921 4.478 -0.557 25069 8065 1 15 . 1 1 12 12 MET C C 12 178.871 178.871 178.393 0.478 25069 8066 1 15 . 1 1 12 12 MET CA C 12 60.784 60.784 58.379 2.405 25069 8067 1 15 . 1 1 12 12 MET CB C 12 32.579 32.579 31.643 0.936 25069 8068 1 15 . 1 1 12 12 MET H H 12 8.454 8.454 7.799 0.655 25069 8069 1 15 . 1 1 13 13 VAL N N 13 118.900 118.900 120.148 -1.248 25069 8070 1 15 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.561 0.364 25069 8071 1 15 . 1 1 13 13 VAL C C 13 177.712 177.712 178.388 -0.676 25069 8072 1 15 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.691 -0.011 25069 8073 1 15 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.340 2.907 25069 8074 1 15 . 1 1 13 13 VAL H H 13 8.117 8.117 7.859 0.258 25069 8075 1 15 . 1 1 14 14 SER N N 14 114.675 114.675 114.730 -0.055 25069 8076 1 15 . 1 1 14 14 SER HA H 14 3.966 3.966 4.385 -0.419 25069 8077 1 15 . 1 1 14 14 SER C C 14 178.306 178.306 176.816 1.490 25069 8078 1 15 . 1 1 14 14 SER CA C 14 61.937 61.937 61.516 0.421 25069 8079 1 15 . 1 1 14 14 SER CB C 14 62.474 62.474 63.147 -0.673 25069 8080 1 15 . 1 1 14 14 SER H H 14 8.935 8.935 7.683 1.252 25069 8081 1 15 . 1 1 15 15 THR N N 15 117.582 117.582 120.733 -3.151 25069 8082 1 15 . 1 1 15 15 THR HA H 15 4.190 4.190 4.047 0.143 25069 8083 1 15 . 1 1 15 15 THR C C 15 174.459 174.459 175.944 -1.485 25069 8084 1 15 . 1 1 15 15 THR CA C 15 67.683 67.683 67.304 0.379 25069 8085 1 15 . 1 1 15 15 THR CB C 15 68.187 68.187 69.093 -0.906 25069 8086 1 15 . 1 1 15 15 THR H H 15 8.543 8.543 8.159 0.384 25069 8087 1 15 . 1 1 16 16 PHE N N 16 118.606 118.606 122.506 -3.900 25069 8088 1 15 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.908 -0.539 25069 8089 1 15 . 1 1 16 16 PHE C C 16 176.480 176.480 177.102 -0.622 25069 8090 1 15 . 1 1 16 16 PHE CA C 16 62.481 62.481 62.149 0.332 25069 8091 1 15 . 1 1 16 16 PHE CB C 16 39.236 39.236 39.198 0.038 25069 8092 1 15 . 1 1 16 16 PHE H H 16 6.809 6.809 8.107 -1.298 25069 8093 1 15 . 1 1 17 17 HIS N N 17 114.536 114.536 118.068 -3.532 25069 8094 1 15 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.146 0.580 25069 8095 1 15 . 1 1 17 17 HIS C C 17 177.124 177.124 176.907 0.217 25069 8096 1 15 . 1 1 17 17 HIS CA C 17 57.727 57.727 58.606 -0.879 25069 8097 1 15 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.787 0.361 25069 8098 1 15 . 1 1 17 17 HIS H H 17 6.955 6.955 7.884 -0.929 25069 8099 1 15 . 1 1 18 18 LYS N N 18 120.739 120.739 119.028 1.711 25069 8100 1 15 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.004 -0.286 25069 8101 1 15 . 1 1 18 18 LYS C C 18 177.006 177.006 177.949 -0.943 25069 8102 1 15 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.073 -0.205 25069 8103 1 15 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.245 -0.132 25069 8104 1 15 . 1 1 18 18 LYS H H 18 7.820 7.820 7.801 0.019 25069 8105 1 15 . 1 1 19 19 TYR N N 19 112.545 112.545 117.266 -4.721 25069 8106 1 15 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.297 -0.158 25069 8107 1 15 . 1 1 19 19 TYR C C 19 176.218 176.218 177.871 -1.653 25069 8108 1 15 . 1 1 19 19 TYR CA C 19 59.898 59.898 61.133 -1.235 25069 8109 1 15 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.930 1.527 25069 8110 1 15 . 1 1 19 19 TYR H H 19 6.730 6.730 7.700 -0.970 25069 8111 1 15 . 1 1 20 20 SER N N 20 113.404 113.404 114.870 -1.466 25069 8112 1 15 . 1 1 20 20 SER HA H 20 3.385 3.385 4.131 -0.746 25069 8113 1 15 . 1 1 20 20 SER C C 20 176.961 176.961 176.070 0.891 25069 8114 1 15 . 1 1 20 20 SER CA C 20 61.866 61.866 60.680 1.186 25069 8115 1 15 . 1 1 20 20 SER CB C 20 60.904 60.904 62.563 -1.659 25069 8116 1 15 . 1 1 20 20 SER H H 20 8.493 8.493 8.426 0.067 25069 8117 1 15 . 1 1 21 21 GLY N N 21 109.001 109.001 107.254 1.747 25069 8118 1 15 . 1 1 21 21 GLY C C 21 173.502 173.502 174.272 -0.770 25069 8119 1 15 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.548 0.991 25069 8120 1 15 . 1 1 21 21 GLY H H 21 7.512 7.512 7.610 -0.098 25069 8121 1 15 . 1 1 22 22 LYS N N 22 120.754 120.754 118.544 2.210 25069 8122 1 15 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.296 -0.501 25069 8123 1 15 . 1 1 22 22 LYS C C 22 177.354 177.354 176.231 1.123 25069 8124 1 15 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.095 2.912 25069 8125 1 15 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.485 -0.502 25069 8126 1 15 . 1 1 22 22 LYS H H 22 6.958 6.958 7.447 -0.489 25069 8127 1 15 . 1 1 23 23 GLU N N 23 115.305 115.305 117.250 -1.945 25069 8128 1 15 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.440 0.018 25069 8129 1 15 . 1 1 23 23 GLU C C 23 176.733 176.733 175.807 0.926 25069 8130 1 15 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.173 -0.738 25069 8131 1 15 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.696 2.658 25069 8132 1 15 . 1 1 23 23 GLU H H 23 9.425 9.425 8.006 1.419 25069 8133 1 15 . 1 1 24 24 GLY N N 24 112.542 112.542 113.385 -0.843 25069 8134 1 15 . 1 1 24 24 GLY C C 24 173.486 173.486 174.143 -0.657 25069 8135 1 15 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.249 1.093 25069 8136 1 15 . 1 1 24 24 GLY H H 24 8.879 8.879 8.408 0.471 25069 8137 1 15 . 1 1 25 25 ASP N N 25 125.117 125.117 122.285 2.832 25069 8138 1 15 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.713 -0.430 25069 8139 1 15 . 1 1 25 25 ASP C C 25 179.177 179.177 175.961 3.216 25069 8140 1 15 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.628 1.486 25069 8141 1 15 . 1 1 25 25 ASP CB C 25 41.736 41.736 41.544 0.192 25069 8142 1 15 . 1 1 25 25 ASP H H 25 8.423 8.423 8.465 -0.042 25069 8143 1 15 . 1 1 26 26 LYS N N 26 131.175 131.175 116.320 14.855 25069 8144 1 15 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.471 -0.275 25069 8145 1 15 . 1 1 26 26 LYS C C 26 176.638 176.638 174.851 1.787 25069 8146 1 15 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.870 1.098 25069 8147 1 15 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.860 -1.637 25069 8148 1 15 . 1 1 26 26 LYS H H 26 9.247 9.247 8.146 1.101 25069 8149 1 15 . 1 1 27 27 PHE N N 27 118.593 118.593 116.021 2.572 25069 8150 1 15 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.253 -0.554 25069 8151 1 15 . 1 1 27 27 PHE C C 27 173.452 173.452 174.997 -1.545 25069 8152 1 15 . 1 1 27 27 PHE CA C 27 56.032 56.032 56.271 -0.239 25069 8153 1 15 . 1 1 27 27 PHE CB C 27 39.091 39.091 39.889 -0.798 25069 8154 1 15 . 1 1 27 27 PHE H H 27 9.335 9.335 7.968 1.367 25069 8155 1 15 . 1 1 28 28 LYS N N 28 113.854 113.854 119.122 -5.268 25069 8156 1 15 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.313 -0.309 25069 8157 1 15 . 1 1 28 28 LYS C C 28 174.468 174.468 175.167 -0.699 25069 8158 1 15 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.330 -0.043 25069 8159 1 15 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.587 1.431 25069 8160 1 15 . 1 1 28 28 LYS H H 28 6.985 6.985 7.640 -0.655 25069 8161 1 15 . 1 1 29 29 LEU N N 29 124.858 124.858 124.513 0.345 25069 8162 1 15 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.577 0.436 25069 8163 1 15 . 1 1 29 29 LEU C C 29 175.791 175.791 176.115 -0.324 25069 8164 1 15 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.611 -1.012 25069 8165 1 15 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.456 1.101 25069 8166 1 15 . 1 1 29 29 LEU H H 29 9.454 9.454 9.019 0.435 25069 8167 1 15 . 1 1 30 30 ASN N N 30 122.896 122.896 122.053 0.843 25069 8168 1 15 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.073 -0.495 25069 8169 1 15 . 1 1 30 30 ASN C C 30 174.969 174.969 176.558 -1.589 25069 8170 1 15 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.280 -1.182 25069 8171 1 15 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.570 -2.212 25069 8172 1 15 . 1 1 30 30 ASN H H 30 9.560 9.560 8.355 1.205 25069 8173 1 15 . 1 1 31 31 LYS N N 31 115.136 115.136 121.544 -6.408 25069 8174 1 15 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.818 0.052 25069 8175 1 15 . 1 1 31 31 LYS C C 31 177.992 177.992 178.496 -0.504 25069 8176 1 15 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.965 0.070 25069 8177 1 15 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.095 0.110 25069 8178 1 15 . 1 1 31 31 LYS H H 31 8.204 8.204 8.528 -0.324 25069 8179 1 15 . 1 1 32 32 SER N N 32 113.755 113.755 114.353 -0.598 25069 8180 1 15 . 1 1 32 32 SER HA H 32 3.939 3.939 3.962 -0.023 25069 8181 1 15 . 1 1 32 32 SER C C 32 177.484 177.484 176.333 1.151 25069 8182 1 15 . 1 1 32 32 SER CA C 32 61.374 61.374 62.068 -0.694 25069 8183 1 15 . 1 1 32 32 SER CB C 32 62.733 62.733 62.755 -0.022 25069 8184 1 15 . 1 1 32 32 SER H H 32 7.575 7.575 8.392 -0.817 25069 8185 1 15 . 1 1 33 33 GLU N N 33 122.657 122.657 121.643 1.014 25069 8186 1 15 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.407 -0.494 25069 8187 1 15 . 1 1 33 33 GLU C C 33 178.560 178.560 179.015 -0.455 25069 8188 1 15 . 1 1 33 33 GLU CA C 33 58.842 58.842 57.887 0.955 25069 8189 1 15 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.938 1.261 25069 8190 1 15 . 1 1 33 33 GLU H H 33 8.608 8.608 7.697 0.911 25069 8191 1 15 . 1 1 34 34 LEU N N 34 117.375 117.375 123.245 -5.870 25069 8192 1 15 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.865 -0.060 25069 8193 1 15 . 1 1 34 34 LEU C C 34 177.693 177.693 177.933 -0.240 25069 8194 1 15 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.712 -0.936 25069 8195 1 15 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.797 -0.100 25069 8196 1 15 . 1 1 34 34 LEU H H 34 8.859 8.859 8.828 0.031 25069 8197 1 15 . 1 1 35 35 LYS N N 35 117.418 117.418 118.675 -1.257 25069 8198 1 15 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.438 0.088 25069 8199 1 15 . 1 1 35 35 LYS C C 35 179.129 179.129 179.068 0.061 25069 8200 1 15 . 1 1 35 35 LYS CA C 35 60.166 60.166 59.954 0.212 25069 8201 1 15 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.486 0.273 25069 8202 1 15 . 1 1 35 35 LYS H H 35 7.901 7.901 8.316 -0.415 25069 8203 1 15 . 1 1 36 36 GLU N N 36 120.491 120.491 120.412 0.079 25069 8204 1 15 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.014 -0.295 25069 8205 1 15 . 1 1 36 36 GLU C C 36 176.354 176.354 179.007 -2.653 25069 8206 1 15 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.167 0.802 25069 8207 1 15 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.731 -0.338 25069 8208 1 15 . 1 1 36 36 GLU H H 36 7.619 7.619 7.644 -0.025 25069 8209 1 15 . 1 1 37 37 LEU N N 37 120.058 120.058 121.380 -1.322 25069 8210 1 15 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.918 -0.493 25069 8211 1 15 . 1 1 37 37 LEU C C 37 179.412 179.412 178.282 1.130 25069 8212 1 15 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.697 1.740 25069 8213 1 15 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.724 0.080 25069 8214 1 15 . 1 1 37 37 LEU H H 37 7.762 7.762 8.149 -0.387 25069 8215 1 15 . 1 1 38 38 LEU N N 38 116.987 116.987 119.303 -2.316 25069 8216 1 15 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.103 -0.438 25069 8217 1 15 . 1 1 38 38 LEU C C 38 178.279 178.279 179.708 -1.429 25069 8218 1 15 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.601 0.077 25069 8219 1 15 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.965 1.349 25069 8220 1 15 . 1 1 38 38 LEU H H 38 8.532 8.532 8.590 -0.058 25069 8221 1 15 . 1 1 39 39 THR N N 39 108.650 108.650 111.516 -2.866 25069 8222 1 15 . 1 1 39 39 THR HA H 39 3.693 3.693 4.125 -0.432 25069 8223 1 15 . 1 1 39 39 THR C C 39 176.231 176.231 176.815 -0.584 25069 8224 1 15 . 1 1 39 39 THR CA C 39 65.997 65.997 65.997 0.000 25069 8225 1 15 . 1 1 39 39 THR CB C 39 69.618 69.618 68.662 0.956 25069 8226 1 15 . 1 1 39 39 THR H H 39 7.883 7.883 8.594 -0.711 25069 8227 1 15 . 1 1 40 40 ARG N N 40 115.482 115.482 119.720 -4.238 25069 8228 1 15 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.290 -0.138 25069 8229 1 15 . 1 1 40 40 ARG C C 40 178.520 178.520 178.444 0.076 25069 8230 1 15 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.352 -0.317 25069 8231 1 15 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.790 0.456 25069 8232 1 15 . 1 1 40 40 ARG H H 40 8.015 8.015 7.966 0.049 25069 8233 1 15 . 1 1 41 41 GLU N N 41 112.106 112.106 116.849 -4.743 25069 8234 1 15 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.434 0.400 25069 8235 1 15 . 1 1 41 41 GLU C C 41 177.856 177.856 177.041 0.815 25069 8236 1 15 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.836 -1.637 25069 8237 1 15 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.769 -0.448 25069 8238 1 15 . 1 1 41 41 GLU H H 41 8.463 8.463 8.531 -0.068 25069 8239 1 15 . 1 1 42 42 LEU N N 42 119.287 119.287 121.357 -2.070 25069 8240 1 15 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.972 0.080 25069 8241 1 15 . 1 1 42 42 LEU C C 42 174.457 174.457 174.505 -0.048 25069 8242 1 15 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.378 0.460 25069 8243 1 15 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.201 1.882 25069 8244 1 15 . 1 1 42 42 LEU H H 42 7.688 7.688 7.718 -0.030 25069 8245 1 15 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.371 -0.167 25069 8246 1 15 . 1 1 43 43 PRO C C 43 179.969 179.969 178.491 1.478 25069 8247 1 15 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.917 -0.228 25069 8248 1 15 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.033 -1.206 25069 8249 1 15 . 1 1 44 44 SER N N 44 114.352 114.352 112.815 1.537 25069 8250 1 15 . 1 1 44 44 SER HA H 44 4.093 4.093 4.230 -0.137 25069 8251 1 15 . 1 1 44 44 SER C C 44 175.709 175.709 176.312 -0.603 25069 8252 1 15 . 1 1 44 44 SER CA C 44 60.793 60.793 61.210 -0.417 25069 8253 1 15 . 1 1 44 44 SER CB C 44 62.400 62.400 62.950 -0.550 25069 8254 1 15 . 1 1 44 44 SER H H 44 8.674 8.674 8.249 0.425 25069 8255 1 15 . 1 1 45 45 PHE N N 45 121.558 121.558 121.778 -0.220 25069 8256 1 15 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.301 -0.149 25069 8257 1 15 . 1 1 45 45 PHE C C 45 176.441 176.441 176.896 -0.455 25069 8258 1 15 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.842 -0.508 25069 8259 1 15 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.187 0.602 25069 8260 1 15 . 1 1 45 45 PHE H H 45 7.952 7.952 8.330 -0.378 25069 8261 1 15 . 1 1 46 46 LEU N N 46 117.590 117.590 115.187 2.403 25069 8262 1 15 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.322 -0.486 25069 8263 1 15 . 1 1 46 46 LEU C C 46 178.236 178.236 179.303 -1.067 25069 8264 1 15 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.933 1.211 25069 8265 1 15 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.904 0.612 25069 8266 1 15 . 1 1 46 46 LEU H H 46 7.906 7.906 7.916 -0.010 25069 8267 1 15 . 1 1 47 47 GLY N N 47 104.817 104.817 109.480 -4.663 25069 8268 1 15 . 1 1 47 47 GLY C C 47 174.665 174.665 175.299 -0.634 25069 8269 1 15 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.645 -0.659 25069 8270 1 15 . 1 1 47 47 GLY H H 47 7.646 7.646 7.826 -0.180 25069 8271 1 15 . 1 1 48 48 LYS N N 48 120.422 120.422 119.260 1.162 25069 8272 1 15 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.126 0.026 25069 8273 1 15 . 1 1 48 48 LYS C C 48 177.029 177.029 176.794 0.235 25069 8274 1 15 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.155 -0.675 25069 8275 1 15 . 1 1 48 48 LYS CB C 48 32.252 32.252 33.015 -0.763 25069 8276 1 15 . 1 1 48 48 LYS H H 48 8.400 8.400 7.392 1.008 25069 8277 1 15 . 1 1 49 49 ARG N N 49 119.815 119.815 119.794 0.021 25069 8278 1 15 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.379 -0.076 25069 8279 1 15 . 1 1 49 49 ARG C C 49 175.183 175.183 173.859 1.324 25069 8280 1 15 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.803 -0.104 25069 8281 1 15 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.151 -1.645 25069 8282 1 15 . 1 1 49 49 ARG H H 49 7.801 7.801 7.623 0.178 25069 8283 1 15 . 1 1 50 50 THR N N 50 110.525 110.525 114.245 -3.720 25069 8284 1 15 . 1 1 50 50 THR HA H 50 4.091 4.091 4.250 -0.159 25069 8285 1 15 . 1 1 50 50 THR C C 50 174.108 174.108 173.549 0.559 25069 8286 1 15 . 1 1 50 50 THR CA C 50 61.579 61.579 60.842 0.737 25069 8287 1 15 . 1 1 50 50 THR CB C 50 69.136 69.136 70.203 -1.067 25069 8288 1 15 . 1 1 50 50 THR H H 50 7.808 7.808 7.780 0.028 25069 8289 1 15 . 1 1 51 51 ASP N N 51 121.073 121.073 124.435 -3.362 25069 8290 1 15 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.589 -0.029 25069 8291 1 15 . 1 1 51 51 ASP C C 51 175.715 175.715 175.912 -0.197 25069 8292 1 15 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.475 -0.421 25069 8293 1 15 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.817 -1.006 25069 8294 1 15 . 1 1 51 51 ASP H H 51 7.924 7.924 7.650 0.274 25069 8295 1 15 . 1 1 52 52 GLU N N 52 120.418 120.418 122.565 -2.147 25069 8296 1 15 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.299 -0.257 25069 8297 1 15 . 1 1 52 52 GLU C C 52 178.726 178.726 178.304 0.422 25069 8298 1 15 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.183 -0.623 25069 8299 1 15 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.651 -0.267 25069 8300 1 15 . 1 1 52 52 GLU H H 52 8.515 8.515 9.010 -0.495 25069 8301 1 15 . 1 1 53 53 ALA N N 53 120.807 120.807 121.227 -0.420 25069 8302 1 15 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.125 -0.089 25069 8303 1 15 . 1 1 53 53 ALA C C 53 180.416 180.416 179.394 1.022 25069 8304 1 15 . 1 1 53 53 ALA CA C 53 55.141 55.141 55.095 0.046 25069 8305 1 15 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.093 -0.149 25069 8306 1 15 . 1 1 53 53 ALA H H 53 8.242 8.242 8.664 -0.422 25069 8307 1 15 . 1 1 54 54 ALA N N 54 121.069 121.069 121.972 -0.903 25069 8308 1 15 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.052 -0.125 25069 8309 1 15 . 1 1 54 54 ALA C C 54 180.846 180.846 179.692 1.154 25069 8310 1 15 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.712 0.265 25069 8311 1 15 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.103 0.234 25069 8312 1 15 . 1 1 54 54 ALA H H 54 7.874 7.874 7.727 0.147 25069 8313 1 15 . 1 1 55 55 PHE N N 55 118.066 118.066 117.891 0.175 25069 8314 1 15 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.101 -0.134 25069 8315 1 15 . 1 1 55 55 PHE C C 55 177.160 177.160 178.222 -1.062 25069 8316 1 15 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.241 -0.212 25069 8317 1 15 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.391 0.441 25069 8318 1 15 . 1 1 55 55 PHE H H 55 8.013 8.013 8.311 -0.298 25069 8319 1 15 . 1 1 56 56 GLN N N 56 118.474 118.474 120.019 -1.545 25069 8320 1 15 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.960 -0.220 25069 8321 1 15 . 1 1 56 56 GLN C C 56 178.531 178.531 178.303 0.228 25069 8322 1 15 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.463 -0.631 25069 8323 1 15 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.390 -0.536 25069 8324 1 15 . 1 1 56 56 GLN H H 56 8.265 8.265 8.705 -0.440 25069 8325 1 15 . 1 1 57 57 LYS N N 57 119.207 119.207 119.949 -0.742 25069 8326 1 15 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.057 -0.204 25069 8327 1 15 . 1 1 57 57 LYS C C 57 178.458 178.458 179.590 -1.132 25069 8328 1 15 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.866 0.211 25069 8329 1 15 . 1 1 57 57 LYS CB C 57 32.134 32.134 31.952 0.182 25069 8330 1 15 . 1 1 57 57 LYS H H 57 7.622 7.622 8.284 -0.662 25069 8331 1 15 . 1 1 58 58 LEU N N 58 119.398 119.398 121.461 -2.063 25069 8332 1 15 . 1 1 58 58 LEU HA H 58 3.905 3.905 4.038 -0.133 25069 8333 1 15 . 1 1 58 58 LEU C C 58 178.444 178.444 178.387 0.057 25069 8334 1 15 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.687 0.434 25069 8335 1 15 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.811 -0.157 25069 8336 1 15 . 1 1 58 58 LEU H H 58 7.504 7.504 8.276 -0.772 25069 8337 1 15 . 1 1 59 59 MET N N 59 116.434 116.434 120.474 -4.040 25069 8338 1 15 . 1 1 59 59 MET HA H 59 3.614 3.614 3.966 -0.352 25069 8339 1 15 . 1 1 59 59 MET C C 59 177.513 177.513 177.890 -0.377 25069 8340 1 15 . 1 1 59 59 MET CA C 59 58.765 58.765 58.948 -0.183 25069 8341 1 15 . 1 1 59 59 MET CB C 59 31.060 31.060 31.945 -0.885 25069 8342 1 15 . 1 1 59 59 MET H H 59 8.049 8.049 8.549 -0.500 25069 8343 1 15 . 1 1 60 60 SER N N 60 111.447 111.447 113.847 -2.400 25069 8344 1 15 . 1 1 60 60 SER HA H 60 4.066 4.066 4.157 -0.091 25069 8345 1 15 . 1 1 60 60 SER C C 60 175.986 175.986 176.505 -0.519 25069 8346 1 15 . 1 1 60 60 SER CA C 60 61.416 61.416 60.971 0.445 25069 8347 1 15 . 1 1 60 60 SER CB C 60 62.945 62.945 62.526 0.418 25069 8348 1 15 . 1 1 60 60 SER H H 60 7.839 7.839 8.218 -0.379 25069 8349 1 15 . 1 1 61 61 ASN N N 61 117.559 117.559 119.156 -1.597 25069 8350 1 15 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.589 -0.239 25069 8351 1 15 . 1 1 61 61 ASN C C 61 176.377 176.377 176.856 -0.479 25069 8352 1 15 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.406 -0.403 25069 8353 1 15 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.683 0.190 25069 8354 1 15 . 1 1 61 61 ASN H H 61 7.615 7.615 7.829 -0.214 25069 8355 1 15 . 1 1 62 62 LEU N N 62 117.926 117.926 117.259 0.667 25069 8356 1 15 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.305 -0.277 25069 8357 1 15 . 1 1 62 62 LEU C C 62 178.394 178.394 177.468 0.926 25069 8358 1 15 . 1 1 62 62 LEU CA C 62 56.997 56.997 55.892 1.105 25069 8359 1 15 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.506 0.896 25069 8360 1 15 . 1 1 62 62 LEU H H 62 7.719 7.719 7.686 0.033 25069 8361 1 15 . 1 1 63 63 ASP N N 63 115.899 115.899 120.124 -4.225 25069 8362 1 15 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.415 0.153 25069 8363 1 15 . 1 1 63 63 ASP C C 63 176.866 176.866 176.593 0.273 25069 8364 1 15 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.304 -1.564 25069 8365 1 15 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.022 -0.536 25069 8366 1 15 . 1 1 63 63 ASP H H 63 7.707 7.707 8.379 -0.672 25069 8367 1 15 . 1 1 64 64 SER N N 64 121.158 121.158 123.173 -2.015 25069 8368 1 15 . 1 1 64 64 SER HA H 64 4.080 4.080 4.280 -0.200 25069 8369 1 15 . 1 1 64 64 SER C C 64 175.780 175.780 175.380 0.400 25069 8370 1 15 . 1 1 64 64 SER CA C 64 60.698 60.698 60.298 0.400 25069 8371 1 15 . 1 1 64 64 SER CB C 64 63.034 63.034 63.460 -0.426 25069 8372 1 15 . 1 1 64 64 SER H H 64 8.034 8.034 8.306 -0.272 25069 8373 1 15 . 1 1 65 65 ASN N N 65 115.443 115.443 117.552 -2.109 25069 8374 1 15 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.674 -0.010 25069 8375 1 15 . 1 1 65 65 ASN C C 65 174.775 174.775 175.230 -0.455 25069 8376 1 15 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.740 -1.741 25069 8377 1 15 . 1 1 65 65 ASN CB C 65 37.171 37.171 39.576 -2.405 25069 8378 1 15 . 1 1 65 65 ASN H H 65 8.055 8.055 8.002 0.053 25069 8379 1 15 . 1 1 66 66 ARG N N 66 114.242 114.242 118.034 -3.792 25069 8380 1 15 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.180 -0.253 25069 8381 1 15 . 1 1 66 66 ARG C C 66 175.354 175.354 174.826 0.528 25069 8382 1 15 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.935 0.224 25069 8383 1 15 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.301 -0.448 25069 8384 1 15 . 1 1 66 66 ARG H H 66 7.560 7.560 8.599 -1.039 25069 8385 1 15 . 1 1 67 67 ASP N N 67 118.260 118.260 120.192 -1.932 25069 8386 1 15 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.788 -0.186 25069 8387 1 15 . 1 1 67 67 ASP C C 67 177.143 177.143 176.565 0.578 25069 8388 1 15 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.583 -0.564 25069 8389 1 15 . 1 1 67 67 ASP CB C 67 40.704 40.704 42.223 -1.519 25069 8390 1 15 . 1 1 67 67 ASP H H 67 8.406 8.406 8.864 -0.458 25069 8391 1 15 . 1 1 68 68 ASN N N 68 115.091 115.091 115.029 0.062 25069 8392 1 15 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.291 -0.312 25069 8393 1 15 . 1 1 68 68 ASN C C 68 173.046 173.046 173.085 -0.039 25069 8394 1 15 . 1 1 68 68 ASN CA C 68 55.337 55.337 55.014 0.323 25069 8395 1 15 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.817 0.073 25069 8396 1 15 . 1 1 68 68 ASN H H 68 10.021 10.021 9.126 0.895 25069 8397 1 15 . 1 1 69 69 GLU N N 69 115.671 115.671 117.086 -1.415 25069 8398 1 15 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.142 -0.444 25069 8399 1 15 . 1 1 69 69 GLU C C 69 175.335 175.335 175.465 -0.130 25069 8400 1 15 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.855 0.016 25069 8401 1 15 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.088 2.545 25069 8402 1 15 . 1 1 69 69 GLU H H 69 7.724 7.724 7.846 -0.122 25069 8403 1 15 . 1 1 70 70 VAL N N 70 124.606 124.606 125.597 -0.991 25069 8404 1 15 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.172 0.963 25069 8405 1 15 . 1 1 70 70 VAL C C 70 175.876 175.876 175.953 -0.077 25069 8406 1 15 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.003 -0.861 25069 8407 1 15 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.017 1.540 25069 8408 1 15 . 1 1 70 70 VAL H H 70 9.814 9.814 8.694 1.120 25069 8409 1 15 . 1 1 71 71 ASP N N 71 127.612 127.612 128.586 -0.974 25069 8410 1 15 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.171 -0.146 25069 8411 1 15 . 1 1 71 71 ASP C C 71 175.018 175.018 176.927 -1.909 25069 8412 1 15 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.827 -1.266 25069 8413 1 15 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.488 -0.509 25069 8414 1 15 . 1 1 71 71 ASP H H 71 8.896 8.896 8.490 0.406 25069 8415 1 15 . 1 1 72 72 PHE N N 72 117.738 117.738 119.975 -2.237 25069 8416 1 15 . 1 1 72 72 PHE C C 72 177.390 177.390 177.051 0.339 25069 8417 1 15 . 1 1 72 72 PHE CA C 72 63.026 63.026 61.174 1.852 25069 8418 1 15 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.938 0.290 25069 8419 1 15 . 1 1 72 72 PHE H H 72 8.993 8.993 8.261 0.732 25069 8420 1 15 . 1 1 73 73 GLN N N 73 120.479 120.479 119.315 1.164 25069 8421 1 15 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.732 0.072 25069 8422 1 15 . 1 1 73 73 GLN C C 73 178.583 178.583 177.925 0.658 25069 8423 1 15 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.350 0.710 25069 8424 1 15 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.393 -0.565 25069 8425 1 15 . 1 1 73 73 GLN H H 73 8.246 8.246 8.920 -0.674 25069 8426 1 15 . 1 1 74 74 GLU N N 74 120.179 120.179 118.710 1.469 25069 8427 1 15 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.053 -0.209 25069 8428 1 15 . 1 1 74 74 GLU C C 74 180.584 180.584 179.219 1.365 25069 8429 1 15 . 1 1 74 74 GLU CA C 74 59.013 59.013 58.543 0.470 25069 8430 1 15 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.191 1.215 25069 8431 1 15 . 1 1 74 74 GLU H H 74 8.782 8.782 9.049 -0.267 25069 8432 1 15 . 1 1 75 75 TYR N N 75 122.109 122.109 121.735 0.374 25069 8433 1 15 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.293 -0.281 25069 8434 1 15 . 1 1 75 75 TYR C C 75 175.383 175.383 177.282 -1.899 25069 8435 1 15 . 1 1 75 75 TYR CA C 75 60.223 60.223 61.058 -0.835 25069 8436 1 15 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.240 0.549 25069 8437 1 15 . 1 1 75 75 TYR H H 75 8.619 8.619 8.225 0.394 25069 8438 1 15 . 1 1 76 76 SER N N 76 117.790 117.790 116.508 1.282 25069 8439 1 15 . 1 1 76 76 SER HA H 76 3.326 3.326 3.701 -0.375 25069 8440 1 15 . 1 1 76 76 SER C C 76 176.930 176.930 176.553 0.377 25069 8441 1 15 . 1 1 76 76 SER CA C 76 62.377 62.377 62.103 0.274 25069 8442 1 15 . 1 1 76 76 SER CB C 76 62.573 62.573 62.378 0.195 25069 8443 1 15 . 1 1 76 76 SER H H 76 8.654 8.654 7.958 0.696 25069 8444 1 15 . 1 1 77 77 VAL N N 77 123.033 123.033 123.305 -0.272 25069 8445 1 15 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.699 -0.120 25069 8446 1 15 . 1 1 77 77 VAL C C 77 178.969 178.969 177.769 1.200 25069 8447 1 15 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.999 0.097 25069 8448 1 15 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.556 0.421 25069 8449 1 15 . 1 1 77 77 VAL H H 77 7.844 7.844 8.360 -0.516 25069 8450 1 15 . 1 1 78 78 PHE N N 78 121.473 121.473 122.094 -0.621 25069 8451 1 15 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.168 0.180 25069 8452 1 15 . 1 1 78 78 PHE C C 78 177.726 177.726 177.026 0.700 25069 8453 1 15 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.060 -0.731 25069 8454 1 15 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.645 -0.101 25069 8455 1 15 . 1 1 78 78 PHE H H 78 7.439 7.439 7.649 -0.210 25069 8456 1 15 . 1 1 79 79 LEU N N 79 118.574 118.574 117.858 0.716 25069 8457 1 15 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.070 0.160 25069 8458 1 15 . 1 1 79 79 LEU C C 79 178.837 178.837 178.909 -0.072 25069 8459 1 15 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.703 0.027 25069 8460 1 15 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.905 -0.453 25069 8461 1 15 . 1 1 79 79 LEU H H 79 8.298 8.298 7.876 0.422 25069 8462 1 15 . 1 1 80 80 SER N N 80 112.827 112.827 114.815 -1.988 25069 8463 1 15 . 1 1 80 80 SER HA H 80 3.978 3.978 4.022 -0.044 25069 8464 1 15 . 1 1 80 80 SER C C 80 175.796 175.796 176.860 -1.064 25069 8465 1 15 . 1 1 80 80 SER CA C 80 62.278 62.278 61.794 0.484 25069 8466 1 15 . 1 1 80 80 SER CB C 80 63.148 63.148 62.777 0.371 25069 8467 1 15 . 1 1 80 80 SER H H 80 7.728 7.728 8.367 -0.639 25069 8468 1 15 . 1 1 81 81 SER N N 81 117.584 117.584 118.969 -1.385 25069 8469 1 15 . 1 1 81 81 SER HA H 81 4.151 4.151 4.218 -0.067 25069 8470 1 15 . 1 1 81 81 SER C C 81 176.761 176.761 176.826 -0.065 25069 8471 1 15 . 1 1 81 81 SER CA C 81 61.673 61.673 61.297 0.376 25069 8472 1 15 . 1 1 81 81 SER CB C 81 62.441 62.441 62.502 -0.061 25069 8473 1 15 . 1 1 81 81 SER H H 81 7.703 7.703 8.064 -0.361 25069 8474 1 15 . 1 1 82 82 ILE N N 82 122.194 122.194 123.412 -1.218 25069 8475 1 15 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.606 0.042 25069 8476 1 15 . 1 1 82 82 ILE C C 82 178.743 178.743 177.950 0.793 25069 8477 1 15 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.112 -0.963 25069 8478 1 15 . 1 1 82 82 ILE CB C 82 36.725 36.725 36.987 -0.262 25069 8479 1 15 . 1 1 82 82 ILE H H 82 7.490 7.490 8.089 -0.599 25069 8480 1 15 . 1 1 83 83 ALA N N 83 123.288 123.288 123.222 0.066 25069 8481 1 15 . 1 1 83 83 ALA HA H 83 3.814 3.814 4.012 -0.198 25069 8482 1 15 . 1 1 83 83 ALA C C 83 179.019 179.019 179.619 -0.600 25069 8483 1 15 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.911 0.616 25069 8484 1 15 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.871 -1.222 25069 8485 1 15 . 1 1 83 83 ALA H H 83 8.190 8.190 7.893 0.297 25069 8486 1 15 . 1 1 84 84 MET N N 84 114.549 114.549 116.166 -1.617 25069 8487 1 15 . 1 1 84 84 MET HA H 84 4.660 4.660 4.292 0.368 25069 8488 1 15 . 1 1 84 84 MET C C 84 174.776 174.776 178.134 -3.358 25069 8489 1 15 . 1 1 84 84 MET CA C 84 58.603 58.603 57.646 0.957 25069 8490 1 15 . 1 1 84 84 MET CB C 84 37.147 37.147 32.193 4.954 25069 8491 1 15 . 1 1 84 84 MET H H 84 8.060 8.060 8.537 -0.477 25069 8492 1 15 . 1 1 85 85 MET N N 85 114.638 114.638 121.456 -6.818 25069 8493 1 15 . 1 1 85 85 MET HA H 85 4.079 4.079 4.710 -0.631 25069 8494 1 15 . 1 1 85 85 MET C C 85 178.153 178.153 178.212 -0.059 25069 8495 1 15 . 1 1 85 85 MET CA C 85 58.444 58.444 58.207 0.237 25069 8496 1 15 . 1 1 85 85 MET CB C 85 32.523 32.523 32.713 -0.190 25069 8497 1 15 . 1 1 85 85 MET H H 85 8.097 8.097 8.310 -0.213 25069 8498 1 15 . 1 1 86 86 SER N N 86 114.719 114.719 115.617 -0.898 25069 8499 1 15 . 1 1 86 86 SER HA H 86 4.184 4.184 4.245 -0.061 25069 8500 1 15 . 1 1 86 86 SER C C 86 176.656 176.656 177.284 -0.628 25069 8501 1 15 . 1 1 86 86 SER CA C 86 60.867 60.867 61.717 -0.850 25069 8502 1 15 . 1 1 86 86 SER CB C 86 63.250 63.250 62.497 0.753 25069 8503 1 15 . 1 1 86 86 SER H H 86 8.119 8.119 8.772 -0.653 25069 8504 1 15 . 1 1 87 87 ASN N N 87 119.754 119.754 121.405 -1.651 25069 8505 1 15 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.609 -0.031 25069 8506 1 15 . 1 1 87 87 ASN C C 87 176.062 176.062 177.451 -1.389 25069 8507 1 15 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.347 -0.171 25069 8508 1 15 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.821 -0.073 25069 8509 1 15 . 1 1 87 87 ASN H H 87 8.328 8.328 7.966 0.362 25069 8510 1 15 . 1 1 88 88 GLU N N 88 117.928 117.928 120.505 -2.577 25069 8511 1 15 . 1 1 88 88 GLU HA H 88 3.739 3.739 3.952 -0.213 25069 8512 1 15 . 1 1 88 88 GLU C C 88 177.870 177.870 178.311 -0.441 25069 8513 1 15 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.477 -0.545 25069 8514 1 15 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.602 -0.321 25069 8515 1 15 . 1 1 88 88 GLU H H 88 7.747 7.747 8.458 -0.711 25069 8516 1 15 . 1 1 89 89 PHE N N 89 116.133 116.133 118.681 -2.548 25069 8517 1 15 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.268 -0.099 25069 8518 1 15 . 1 1 89 89 PHE C C 89 176.404 176.404 176.850 -0.446 25069 8519 1 15 . 1 1 89 89 PHE CA C 89 59.056 59.056 60.149 -1.093 25069 8520 1 15 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.372 -0.530 25069 8521 1 15 . 1 1 89 89 PHE H H 89 7.465 7.465 7.819 -0.354 25069 8522 1 15 . 1 1 90 90 PHE N N 90 119.130 119.130 119.959 -0.829 25069 8523 1 15 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.174 -0.119 25069 8524 1 15 . 1 1 90 90 PHE C C 90 176.420 176.420 176.519 -0.099 25069 8525 1 15 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.412 -0.642 25069 8526 1 15 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.405 -0.092 25069 8527 1 15 . 1 1 90 90 PHE H H 90 7.537 7.537 7.718 -0.181 25069 8528 1 15 . 1 1 91 91 GLU N N 91 118.971 118.971 117.698 1.273 25069 8529 1 15 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.275 -0.535 25069 8530 1 15 . 1 1 91 91 GLU C C 91 176.491 176.491 177.539 -1.048 25069 8531 1 15 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.990 0.241 25069 8532 1 15 . 1 1 91 91 GLU CB C 91 30.048 30.048 29.966 0.082 25069 8533 1 15 . 1 1 91 91 GLU H H 91 7.938 7.938 8.203 -0.265 25069 8534 1 15 . 1 1 92 92 GLY N N 92 105.912 105.912 105.855 0.057 25069 8535 1 15 . 1 1 92 92 GLY C C 92 173.288 173.288 173.917 -0.629 25069 8536 1 15 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.028 0.036 25069 8537 1 15 . 1 1 92 92 GLY H H 92 7.201 7.201 7.636 -0.434 25069 8538 1 15 . 1 1 93 93 PHE N N 93 118.877 118.877 119.763 -0.886 25069 8539 1 15 . 1 1 93 93 PHE C C 93 174.128 174.128 173.308 0.820 25069 8540 1 15 . 1 1 93 93 PHE CA C 93 56.209 56.209 55.979 0.230 25069 8541 1 15 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.114 -2.344 25069 8542 1 15 . 1 1 93 93 PHE H H 93 7.844 7.844 7.637 0.207 25069 8543 1 15 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.444 -0.238 25069 8544 1 15 . 1 1 94 94 PRO C C 94 176.669 176.669 175.345 1.324 25069 8545 1 15 . 1 1 94 94 PRO CA C 94 63.701 63.701 62.935 0.766 25069 8546 1 15 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.373 1.463 25069 8547 1 15 . 1 1 95 95 ASP N N 95 118.031 118.031 121.070 -3.039 25069 8548 1 15 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.626 -0.219 25069 8549 1 15 . 1 1 95 95 ASP C C 95 176.139 176.139 177.250 -1.111 25069 8550 1 15 . 1 1 95 95 ASP CA C 95 54.481 54.481 55.918 -1.437 25069 8551 1 15 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.804 -0.783 25069 8552 1 15 . 1 1 95 95 ASP H H 95 8.144 8.144 8.583 -0.439 25069 8553 1 15 . 1 1 96 96 LYS N N 96 119.472 119.472 117.367 2.105 25069 8554 1 15 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.415 -0.278 25069 8555 1 15 . 1 1 96 96 LYS C C 96 176.212 176.212 176.274 -0.062 25069 8556 1 15 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.409 -0.230 25069 8557 1 15 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.048 0.735 25069 8558 1 15 . 1 1 96 96 LYS H H 96 7.980 7.980 8.366 -0.386 25069 8559 1 15 . 1 1 97 97 GLN N N 97 120.185 120.185 120.311 -0.126 25069 8560 1 15 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.650 -0.229 25069 8561 1 15 . 1 1 97 97 GLN C C 97 173.700 173.700 174.010 -0.310 25069 8562 1 15 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.733 1.070 25069 8563 1 15 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.772 -0.040 25069 8564 1 15 . 1 1 97 97 GLN H H 97 8.007 8.007 7.407 0.600 25069 8565 1 15 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.687 -0.444 25069 8566 1 15 . 1 1 98 98 PRO C C 98 176.605 176.605 177.223 -0.618 25069 8567 1 15 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.546 0.468 25069 8568 1 15 . 1 1 98 98 PRO CB C 98 31.937 31.937 32.146 -0.209 25069 8569 1 15 . 1 1 99 99 ARG N N 99 120.677 120.677 122.506 -1.829 25069 8570 1 15 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.081 0.064 25069 8571 1 15 . 1 1 99 99 ARG C C 99 176.053 176.053 176.268 -0.215 25069 8572 1 15 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.690 -1.718 25069 8573 1 15 . 1 1 99 99 ARG CB C 99 30.894 30.894 29.498 1.396 25069 8574 1 15 . 1 1 99 99 ARG H H 99 8.254 8.254 8.522 -0.268 25069 8575 1 15 . 1 1 100 100 LYS N N 100 122.775 122.775 120.044 2.731 25069 8576 1 15 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.588 -0.444 25069 8577 1 15 . 1 1 100 100 LYS C C 100 175.376 175.376 175.842 -0.466 25069 8578 1 15 . 1 1 100 100 LYS CA C 100 56.396 56.396 55.610 0.786 25069 8579 1 15 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.311 0.978 25069 8580 1 15 . 1 1 100 100 LYS H H 100 8.230 8.230 8.428 -0.198 25069 8581 1 16 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.647 -0.438 25069 8582 1 16 . 1 1 2 2 ALA C C 2 173.983 173.983 177.366 -3.383 25069 8583 1 16 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.453 0.149 25069 8584 1 16 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.135 1.741 25069 8585 1 16 . 1 1 3 3 SER N N 3 121.630 121.630 120.659 0.971 25069 8586 1 16 . 1 1 3 3 SER C C 3 172.689 172.689 174.143 -1.454 25069 8587 1 16 . 1 1 3 3 SER CA C 3 56.943 56.943 58.699 -1.756 25069 8588 1 16 . 1 1 3 3 SER CB C 3 63.102 63.102 61.511 1.591 25069 8589 1 16 . 1 1 3 3 SER H H 3 9.907 9.907 7.921 1.986 25069 8590 1 16 . 1 1 4 4 PRO C C 4 179.695 179.695 177.918 1.777 25069 8591 1 16 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.530 0.204 25069 8592 1 16 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.505 0.275 25069 8593 1 16 . 1 1 5 5 LEU N N 5 118.522 118.522 118.594 -0.072 25069 8594 1 16 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.981 0.050 25069 8595 1 16 . 1 1 5 5 LEU C C 5 177.968 177.968 178.389 -0.421 25069 8596 1 16 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.239 -0.591 25069 8597 1 16 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.790 0.845 25069 8598 1 16 . 1 1 5 5 LEU H H 5 8.277 8.277 7.554 0.723 25069 8599 1 16 . 1 1 6 6 GLU N N 6 118.997 118.997 118.117 0.880 25069 8600 1 16 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.025 -0.329 25069 8601 1 16 . 1 1 6 6 GLU C C 6 180.177 180.177 179.408 0.769 25069 8602 1 16 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.252 1.087 25069 8603 1 16 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.978 0.856 25069 8604 1 16 . 1 1 6 6 GLU H H 6 8.130 8.130 7.855 0.275 25069 8605 1 16 . 1 1 7 7 LYS N N 7 117.838 117.838 118.159 -0.321 25069 8606 1 16 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.232 -0.236 25069 8607 1 16 . 1 1 7 7 LYS C C 7 178.764 178.764 178.723 0.041 25069 8608 1 16 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.935 1.421 25069 8609 1 16 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.958 0.201 25069 8610 1 16 . 1 1 7 7 LYS H H 7 8.341 8.341 7.714 0.627 25069 8611 1 16 . 1 1 8 8 ALA N N 8 122.327 122.327 122.345 -0.018 25069 8612 1 16 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.228 -0.249 25069 8613 1 16 . 1 1 8 8 ALA C C 8 179.482 179.482 179.439 0.043 25069 8614 1 16 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.433 0.735 25069 8615 1 16 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.053 0.241 25069 8616 1 16 . 1 1 8 8 ALA H H 8 8.082 8.082 8.035 0.047 25069 8617 1 16 . 1 1 9 9 LEU N N 9 118.212 118.212 118.384 -0.172 25069 8618 1 16 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.887 0.060 25069 8619 1 16 . 1 1 9 9 LEU C C 9 178.844 178.844 178.620 0.224 25069 8620 1 16 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.620 0.589 25069 8621 1 16 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.011 0.605 25069 8622 1 16 . 1 1 9 9 LEU H H 9 8.042 8.042 7.852 0.190 25069 8623 1 16 . 1 1 10 10 ASP N N 10 117.997 117.997 119.410 -1.413 25069 8624 1 16 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.422 -0.035 25069 8625 1 16 . 1 1 10 10 ASP C C 10 179.582 179.582 178.371 1.211 25069 8626 1 16 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.235 0.535 25069 8627 1 16 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.253 -0.259 25069 8628 1 16 . 1 1 10 10 ASP H H 10 7.587 7.587 7.672 -0.085 25069 8629 1 16 . 1 1 11 11 VAL N N 11 120.702 120.702 119.932 0.770 25069 8630 1 16 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.872 -0.135 25069 8631 1 16 . 1 1 11 11 VAL C C 11 180.061 180.061 178.010 2.051 25069 8632 1 16 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.681 0.463 25069 8633 1 16 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.581 0.045 25069 8634 1 16 . 1 1 11 11 VAL H H 11 8.099 8.099 7.724 0.375 25069 8635 1 16 . 1 1 12 12 MET N N 12 123.185 123.185 120.775 2.410 25069 8636 1 16 . 1 1 12 12 MET HA H 12 3.921 3.921 4.349 -0.428 25069 8637 1 16 . 1 1 12 12 MET C C 12 178.871 178.871 177.965 0.906 25069 8638 1 16 . 1 1 12 12 MET CA C 12 60.784 60.784 58.437 2.347 25069 8639 1 16 . 1 1 12 12 MET CB C 12 32.579 32.579 31.698 0.881 25069 8640 1 16 . 1 1 12 12 MET H H 12 8.454 8.454 7.844 0.610 25069 8641 1 16 . 1 1 13 13 VAL N N 13 118.900 118.900 119.600 -0.700 25069 8642 1 16 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.873 0.052 25069 8643 1 16 . 1 1 13 13 VAL C C 13 177.712 177.712 178.382 -0.670 25069 8644 1 16 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.690 -0.010 25069 8645 1 16 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.444 2.803 25069 8646 1 16 . 1 1 13 13 VAL H H 13 8.117 8.117 7.802 0.315 25069 8647 1 16 . 1 1 14 14 SER N N 14 114.675 114.675 116.084 -1.409 25069 8648 1 16 . 1 1 14 14 SER HA H 14 3.966 3.966 4.135 -0.169 25069 8649 1 16 . 1 1 14 14 SER C C 14 178.306 178.306 176.759 1.547 25069 8650 1 16 . 1 1 14 14 SER CA C 14 61.937 61.937 61.034 0.903 25069 8651 1 16 . 1 1 14 14 SER CB C 14 62.474 62.474 63.159 -0.685 25069 8652 1 16 . 1 1 14 14 SER H H 14 8.935 8.935 7.688 1.247 25069 8653 1 16 . 1 1 15 15 THR N N 15 117.582 117.582 119.513 -1.931 25069 8654 1 16 . 1 1 15 15 THR HA H 15 4.190 4.190 3.977 0.213 25069 8655 1 16 . 1 1 15 15 THR C C 15 174.459 174.459 175.966 -1.507 25069 8656 1 16 . 1 1 15 15 THR CA C 15 67.683 67.683 66.983 0.700 25069 8657 1 16 . 1 1 15 15 THR CB C 15 68.187 68.187 68.701 -0.514 25069 8658 1 16 . 1 1 15 15 THR H H 15 8.543 8.543 8.289 0.254 25069 8659 1 16 . 1 1 16 16 PHE N N 16 118.606 118.606 121.850 -3.244 25069 8660 1 16 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.771 -0.402 25069 8661 1 16 . 1 1 16 16 PHE C C 16 176.480 176.480 176.743 -0.263 25069 8662 1 16 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.843 0.638 25069 8663 1 16 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.878 0.358 25069 8664 1 16 . 1 1 16 16 PHE H H 16 6.809 6.809 8.424 -1.615 25069 8665 1 16 . 1 1 17 17 HIS N N 17 114.536 114.536 117.388 -2.852 25069 8666 1 16 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.434 0.292 25069 8667 1 16 . 1 1 17 17 HIS C C 17 177.124 177.124 177.725 -0.601 25069 8668 1 16 . 1 1 17 17 HIS CA C 17 57.727 57.727 56.987 0.740 25069 8669 1 16 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.285 0.863 25069 8670 1 16 . 1 1 17 17 HIS H H 17 6.955 6.955 8.050 -1.095 25069 8671 1 16 . 1 1 18 18 LYS N N 18 120.739 120.739 119.615 1.124 25069 8672 1 16 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.036 -0.318 25069 8673 1 16 . 1 1 18 18 LYS C C 18 177.006 177.006 177.467 -0.461 25069 8674 1 16 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.709 0.159 25069 8675 1 16 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.202 -0.088 25069 8676 1 16 . 1 1 18 18 LYS H H 18 7.820 7.820 7.442 0.378 25069 8677 1 16 . 1 1 19 19 TYR N N 19 112.545 112.545 116.805 -4.260 25069 8678 1 16 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.285 -0.146 25069 8679 1 16 . 1 1 19 19 TYR C C 19 176.218 176.218 177.367 -1.149 25069 8680 1 16 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.334 -0.436 25069 8681 1 16 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.410 1.046 25069 8682 1 16 . 1 1 19 19 TYR H H 19 6.730 6.730 7.691 -0.961 25069 8683 1 16 . 1 1 20 20 SER N N 20 113.404 113.404 114.250 -0.846 25069 8684 1 16 . 1 1 20 20 SER HA H 20 3.385 3.385 4.466 -1.081 25069 8685 1 16 . 1 1 20 20 SER C C 20 176.961 176.961 176.240 0.721 25069 8686 1 16 . 1 1 20 20 SER CA C 20 61.866 61.866 59.968 1.898 25069 8687 1 16 . 1 1 20 20 SER CB C 20 60.904 60.904 62.769 -1.865 25069 8688 1 16 . 1 1 20 20 SER H H 20 8.493 8.493 8.129 0.364 25069 8689 1 16 . 1 1 21 21 GLY N N 21 109.001 109.001 108.317 0.684 25069 8690 1 16 . 1 1 21 21 GLY C C 21 173.502 173.502 174.309 -0.807 25069 8691 1 16 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.580 0.959 25069 8692 1 16 . 1 1 21 21 GLY H H 21 7.512 7.512 7.572 -0.060 25069 8693 1 16 . 1 1 22 22 LYS N N 22 120.754 120.754 118.577 2.177 25069 8694 1 16 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.378 -0.583 25069 8695 1 16 . 1 1 22 22 LYS C C 22 177.354 177.354 176.665 0.689 25069 8696 1 16 . 1 1 22 22 LYS CA C 22 60.007 60.007 56.232 3.775 25069 8697 1 16 . 1 1 22 22 LYS CB C 22 32.983 32.983 34.369 -1.386 25069 8698 1 16 . 1 1 22 22 LYS H H 22 6.958 6.958 7.933 -0.975 25069 8699 1 16 . 1 1 23 23 GLU N N 23 115.305 115.305 120.095 -4.790 25069 8700 1 16 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.418 0.040 25069 8701 1 16 . 1 1 23 23 GLU C C 23 176.733 176.733 176.202 0.531 25069 8702 1 16 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.967 -1.532 25069 8703 1 16 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.406 1.948 25069 8704 1 16 . 1 1 23 23 GLU H H 23 9.425 9.425 8.740 0.685 25069 8705 1 16 . 1 1 24 24 GLY N N 24 112.542 112.542 115.700 -3.158 25069 8706 1 16 . 1 1 24 24 GLY C C 24 173.486 173.486 174.082 -0.596 25069 8707 1 16 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.398 -0.056 25069 8708 1 16 . 1 1 24 24 GLY H H 24 8.879 8.879 8.635 0.244 25069 8709 1 16 . 1 1 25 25 ASP N N 25 125.117 125.117 121.221 3.896 25069 8710 1 16 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.892 -0.609 25069 8711 1 16 . 1 1 25 25 ASP C C 25 179.177 179.177 175.917 3.260 25069 8712 1 16 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.147 1.968 25069 8713 1 16 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.246 -0.510 25069 8714 1 16 . 1 1 25 25 ASP H H 25 8.423 8.423 7.877 0.546 25069 8715 1 16 . 1 1 26 26 LYS N N 26 131.175 131.175 117.627 13.548 25069 8716 1 16 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.537 -0.341 25069 8717 1 16 . 1 1 26 26 LYS C C 26 176.638 176.638 176.252 0.386 25069 8718 1 16 . 1 1 26 26 LYS CA C 26 57.968 57.968 57.123 0.845 25069 8719 1 16 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.495 -2.272 25069 8720 1 16 . 1 1 26 26 LYS H H 26 9.247 9.247 8.486 0.761 25069 8721 1 16 . 1 1 27 27 PHE N N 27 118.593 118.593 119.007 -0.414 25069 8722 1 16 . 1 1 27 27 PHE HA H 27 4.699 4.699 5.252 -0.553 25069 8723 1 16 . 1 1 27 27 PHE C C 27 173.452 173.452 174.666 -1.214 25069 8724 1 16 . 1 1 27 27 PHE CA C 27 56.032 56.032 58.297 -2.265 25069 8725 1 16 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.868 -1.777 25069 8726 1 16 . 1 1 27 27 PHE H H 27 9.335 9.335 9.299 0.036 25069 8727 1 16 . 1 1 28 28 LYS N N 28 113.854 113.854 118.804 -4.950 25069 8728 1 16 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.216 -0.212 25069 8729 1 16 . 1 1 28 28 LYS C C 28 174.468 174.468 175.222 -0.754 25069 8730 1 16 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.937 0.350 25069 8731 1 16 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.458 1.560 25069 8732 1 16 . 1 1 28 28 LYS H H 28 6.985 6.985 7.496 -0.511 25069 8733 1 16 . 1 1 29 29 LEU N N 29 124.858 124.858 124.453 0.405 25069 8734 1 16 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.904 0.109 25069 8735 1 16 . 1 1 29 29 LEU C C 29 175.791 175.791 176.712 -0.921 25069 8736 1 16 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.227 -0.628 25069 8737 1 16 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.145 1.412 25069 8738 1 16 . 1 1 29 29 LEU H H 29 9.454 9.454 9.001 0.453 25069 8739 1 16 . 1 1 30 30 ASN N N 30 122.896 122.896 122.545 0.351 25069 8740 1 16 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.079 -0.501 25069 8741 1 16 . 1 1 30 30 ASN C C 30 174.969 174.969 176.653 -1.684 25069 8742 1 16 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.221 -1.123 25069 8743 1 16 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.519 -2.161 25069 8744 1 16 . 1 1 30 30 ASN H H 30 9.560 9.560 8.114 1.446 25069 8745 1 16 . 1 1 31 31 LYS N N 31 115.136 115.136 120.006 -4.870 25069 8746 1 16 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.905 -0.035 25069 8747 1 16 . 1 1 31 31 LYS C C 31 177.992 177.992 178.587 -0.595 25069 8748 1 16 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.730 0.305 25069 8749 1 16 . 1 1 31 31 LYS CB C 31 32.205 32.205 32.004 0.201 25069 8750 1 16 . 1 1 31 31 LYS H H 31 8.204 8.204 8.817 -0.613 25069 8751 1 16 . 1 1 32 32 SER N N 32 113.755 113.755 115.152 -1.397 25069 8752 1 16 . 1 1 32 32 SER HA H 32 3.939 3.939 4.043 -0.104 25069 8753 1 16 . 1 1 32 32 SER C C 32 177.484 177.484 176.387 1.097 25069 8754 1 16 . 1 1 32 32 SER CA C 32 61.374 61.374 61.672 -0.298 25069 8755 1 16 . 1 1 32 32 SER CB C 32 62.733 62.733 62.770 -0.037 25069 8756 1 16 . 1 1 32 32 SER H H 32 7.575 7.575 8.340 -0.765 25069 8757 1 16 . 1 1 33 33 GLU N N 33 122.657 122.657 121.761 0.896 25069 8758 1 16 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.094 -0.181 25069 8759 1 16 . 1 1 33 33 GLU C C 33 178.560 178.560 178.904 -0.344 25069 8760 1 16 . 1 1 33 33 GLU CA C 33 58.842 58.842 59.033 -0.192 25069 8761 1 16 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.838 1.361 25069 8762 1 16 . 1 1 33 33 GLU H H 33 8.608 8.608 7.588 1.020 25069 8763 1 16 . 1 1 34 34 LEU N N 34 117.375 117.375 117.693 -0.318 25069 8764 1 16 . 1 1 34 34 LEU HA H 34 3.805 3.805 4.119 -0.314 25069 8765 1 16 . 1 1 34 34 LEU C C 34 177.693 177.693 178.723 -1.030 25069 8766 1 16 . 1 1 34 34 LEU CA C 34 57.776 57.776 57.464 0.312 25069 8767 1 16 . 1 1 34 34 LEU CB C 34 41.697 41.697 40.449 1.248 25069 8768 1 16 . 1 1 34 34 LEU H H 34 8.859 8.859 8.540 0.319 25069 8769 1 16 . 1 1 35 35 LYS N N 35 117.418 117.418 121.214 -3.796 25069 8770 1 16 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.293 0.233 25069 8771 1 16 . 1 1 35 35 LYS C C 35 179.129 179.129 178.708 0.421 25069 8772 1 16 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.547 -0.381 25069 8773 1 16 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.660 0.099 25069 8774 1 16 . 1 1 35 35 LYS H H 35 7.901 7.901 8.273 -0.372 25069 8775 1 16 . 1 1 36 36 GLU N N 36 120.491 120.491 119.661 0.830 25069 8776 1 16 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.069 -0.350 25069 8777 1 16 . 1 1 36 36 GLU C C 36 176.354 176.354 179.412 -3.058 25069 8778 1 16 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.122 0.847 25069 8779 1 16 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.746 -0.353 25069 8780 1 16 . 1 1 36 36 GLU H H 36 7.619 7.619 7.545 0.074 25069 8781 1 16 . 1 1 37 37 LEU N N 37 120.058 120.058 121.265 -1.207 25069 8782 1 16 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.147 -0.722 25069 8783 1 16 . 1 1 37 37 LEU C C 37 179.412 179.412 178.452 0.960 25069 8784 1 16 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.935 1.502 25069 8785 1 16 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.689 0.115 25069 8786 1 16 . 1 1 37 37 LEU H H 37 7.762 7.762 8.445 -0.683 25069 8787 1 16 . 1 1 38 38 LEU N N 38 116.987 116.987 119.091 -2.104 25069 8788 1 16 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.116 -0.451 25069 8789 1 16 . 1 1 38 38 LEU C C 38 178.279 178.279 179.720 -1.441 25069 8790 1 16 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.367 0.311 25069 8791 1 16 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.042 1.272 25069 8792 1 16 . 1 1 38 38 LEU H H 38 8.532 8.532 8.535 -0.003 25069 8793 1 16 . 1 1 39 39 THR N N 39 108.650 108.650 110.553 -1.903 25069 8794 1 16 . 1 1 39 39 THR HA H 39 3.693 3.693 4.060 -0.367 25069 8795 1 16 . 1 1 39 39 THR C C 39 176.231 176.231 176.870 -0.639 25069 8796 1 16 . 1 1 39 39 THR CA C 39 65.997 65.997 65.925 0.072 25069 8797 1 16 . 1 1 39 39 THR CB C 39 69.618 69.618 68.859 0.758 25069 8798 1 16 . 1 1 39 39 THR H H 39 7.883 7.883 8.718 -0.835 25069 8799 1 16 . 1 1 40 40 ARG N N 40 115.482 115.482 119.471 -3.989 25069 8800 1 16 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.343 -0.191 25069 8801 1 16 . 1 1 40 40 ARG C C 40 178.520 178.520 178.205 0.315 25069 8802 1 16 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.079 -0.044 25069 8803 1 16 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.878 0.367 25069 8804 1 16 . 1 1 40 40 ARG H H 40 8.015 8.015 7.985 0.030 25069 8805 1 16 . 1 1 41 41 GLU N N 41 112.106 112.106 117.170 -5.064 25069 8806 1 16 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.399 0.435 25069 8807 1 16 . 1 1 41 41 GLU C C 41 177.856 177.856 176.992 0.864 25069 8808 1 16 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.758 -1.560 25069 8809 1 16 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.774 -0.453 25069 8810 1 16 . 1 1 41 41 GLU H H 41 8.463 8.463 8.522 -0.059 25069 8811 1 16 . 1 1 42 42 LEU N N 42 119.287 119.287 121.369 -2.082 25069 8812 1 16 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.952 0.100 25069 8813 1 16 . 1 1 42 42 LEU C C 42 174.457 174.457 174.518 -0.061 25069 8814 1 16 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.377 0.461 25069 8815 1 16 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.118 1.965 25069 8816 1 16 . 1 1 42 42 LEU H H 42 7.688 7.688 7.681 0.007 25069 8817 1 16 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.360 -0.156 25069 8818 1 16 . 1 1 43 43 PRO C C 43 179.969 179.969 178.423 1.546 25069 8819 1 16 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.823 -0.133 25069 8820 1 16 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.972 -1.145 25069 8821 1 16 . 1 1 44 44 SER N N 44 114.352 114.352 113.066 1.286 25069 8822 1 16 . 1 1 44 44 SER HA H 44 4.093 4.093 4.223 -0.130 25069 8823 1 16 . 1 1 44 44 SER C C 44 175.709 175.709 176.274 -0.565 25069 8824 1 16 . 1 1 44 44 SER CA C 44 60.793 60.793 60.893 -0.100 25069 8825 1 16 . 1 1 44 44 SER CB C 44 62.400 62.400 62.821 -0.421 25069 8826 1 16 . 1 1 44 44 SER H H 44 8.674 8.674 8.256 0.418 25069 8827 1 16 . 1 1 45 45 PHE N N 45 121.558 121.558 121.447 0.111 25069 8828 1 16 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.136 0.016 25069 8829 1 16 . 1 1 45 45 PHE C C 45 176.441 176.441 177.175 -0.734 25069 8830 1 16 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.138 -0.804 25069 8831 1 16 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.083 0.706 25069 8832 1 16 . 1 1 45 45 PHE H H 45 7.952 7.952 8.358 -0.406 25069 8833 1 16 . 1 1 46 46 LEU N N 46 117.590 117.590 115.830 1.760 25069 8834 1 16 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.293 -0.457 25069 8835 1 16 . 1 1 46 46 LEU C C 46 178.236 178.236 179.360 -1.124 25069 8836 1 16 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.780 1.364 25069 8837 1 16 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.636 0.880 25069 8838 1 16 . 1 1 46 46 LEU H H 46 7.906 7.906 7.859 0.047 25069 8839 1 16 . 1 1 47 47 GLY N N 47 104.817 104.817 110.014 -5.197 25069 8840 1 16 . 1 1 47 47 GLY C C 47 174.665 174.665 175.793 -1.128 25069 8841 1 16 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.791 -0.805 25069 8842 1 16 . 1 1 47 47 GLY H H 47 7.646 7.646 7.686 -0.040 25069 8843 1 16 . 1 1 48 48 LYS N N 48 120.422 120.422 119.058 1.364 25069 8844 1 16 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.162 -0.010 25069 8845 1 16 . 1 1 48 48 LYS C C 48 177.029 177.029 176.921 0.108 25069 8846 1 16 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.059 -0.579 25069 8847 1 16 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.791 -0.539 25069 8848 1 16 . 1 1 48 48 LYS H H 48 8.400 8.400 7.449 0.951 25069 8849 1 16 . 1 1 49 49 ARG N N 49 119.815 119.815 118.982 0.833 25069 8850 1 16 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.405 -0.102 25069 8851 1 16 . 1 1 49 49 ARG C C 49 175.183 175.183 174.263 0.920 25069 8852 1 16 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.610 0.089 25069 8853 1 16 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.572 -1.065 25069 8854 1 16 . 1 1 49 49 ARG H H 49 7.801 7.801 7.471 0.330 25069 8855 1 16 . 1 1 50 50 THR N N 50 110.525 110.525 114.525 -4.000 25069 8856 1 16 . 1 1 50 50 THR HA H 50 4.091 4.091 4.320 -0.229 25069 8857 1 16 . 1 1 50 50 THR C C 50 174.108 174.108 173.576 0.532 25069 8858 1 16 . 1 1 50 50 THR CA C 50 61.579 61.579 60.884 0.695 25069 8859 1 16 . 1 1 50 50 THR CB C 50 69.136 69.136 69.276 -0.140 25069 8860 1 16 . 1 1 50 50 THR H H 50 7.808 7.808 7.983 -0.175 25069 8861 1 16 . 1 1 51 51 ASP N N 51 121.073 121.073 125.861 -4.788 25069 8862 1 16 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.849 -0.289 25069 8863 1 16 . 1 1 51 51 ASP C C 51 175.715 175.715 176.226 -0.511 25069 8864 1 16 . 1 1 51 51 ASP CA C 51 53.054 53.054 52.678 0.376 25069 8865 1 16 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.979 -2.168 25069 8866 1 16 . 1 1 51 51 ASP H H 51 7.924 7.924 7.780 0.144 25069 8867 1 16 . 1 1 52 52 GLU N N 52 120.418 120.418 121.170 -0.752 25069 8868 1 16 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.238 -0.196 25069 8869 1 16 . 1 1 52 52 GLU C C 52 178.726 178.726 178.667 0.059 25069 8870 1 16 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.124 -0.564 25069 8871 1 16 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.790 -0.406 25069 8872 1 16 . 1 1 52 52 GLU H H 52 8.515 8.515 8.911 -0.396 25069 8873 1 16 . 1 1 53 53 ALA N N 53 120.807 120.807 122.555 -1.748 25069 8874 1 16 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.132 -0.096 25069 8875 1 16 . 1 1 53 53 ALA C C 53 180.416 180.416 179.579 0.837 25069 8876 1 16 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.928 0.213 25069 8877 1 16 . 1 1 53 53 ALA CB C 53 17.944 17.944 17.961 -0.017 25069 8878 1 16 . 1 1 53 53 ALA H H 53 8.242 8.242 8.416 -0.174 25069 8879 1 16 . 1 1 54 54 ALA N N 54 121.069 121.069 122.109 -1.040 25069 8880 1 16 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.103 -0.176 25069 8881 1 16 . 1 1 54 54 ALA C C 54 180.846 180.846 179.647 1.199 25069 8882 1 16 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.715 0.262 25069 8883 1 16 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.049 0.288 25069 8884 1 16 . 1 1 54 54 ALA H H 54 7.874 7.874 8.060 -0.186 25069 8885 1 16 . 1 1 55 55 PHE N N 55 118.066 118.066 117.724 0.342 25069 8886 1 16 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.234 -0.267 25069 8887 1 16 . 1 1 55 55 PHE C C 55 177.160 177.160 178.135 -0.975 25069 8888 1 16 . 1 1 55 55 PHE CA C 55 62.029 62.029 62.094 -0.065 25069 8889 1 16 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.436 0.396 25069 8890 1 16 . 1 1 55 55 PHE H H 55 8.013 8.013 7.989 0.024 25069 8891 1 16 . 1 1 56 56 GLN N N 56 118.474 118.474 120.317 -1.843 25069 8892 1 16 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.946 -0.206 25069 8893 1 16 . 1 1 56 56 GLN C C 56 178.531 178.531 178.151 0.380 25069 8894 1 16 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.513 -0.681 25069 8895 1 16 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.472 -0.618 25069 8896 1 16 . 1 1 56 56 GLN H H 56 8.265 8.265 8.837 -0.572 25069 8897 1 16 . 1 1 57 57 LYS N N 57 119.207 119.207 119.984 -0.777 25069 8898 1 16 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.051 -0.198 25069 8899 1 16 . 1 1 57 57 LYS C C 57 178.458 178.458 179.354 -0.896 25069 8900 1 16 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.224 -0.147 25069 8901 1 16 . 1 1 57 57 LYS CB C 57 32.134 32.134 31.908 0.226 25069 8902 1 16 . 1 1 57 57 LYS H H 57 7.622 7.622 8.250 -0.628 25069 8903 1 16 . 1 1 58 58 LEU N N 58 119.398 119.398 121.406 -2.008 25069 8904 1 16 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.961 -0.056 25069 8905 1 16 . 1 1 58 58 LEU C C 58 178.444 178.444 178.355 0.089 25069 8906 1 16 . 1 1 58 58 LEU CA C 58 58.121 58.121 58.004 0.117 25069 8907 1 16 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.674 -0.020 25069 8908 1 16 . 1 1 58 58 LEU H H 58 7.504 7.504 8.394 -0.890 25069 8909 1 16 . 1 1 59 59 MET N N 59 116.434 116.434 119.932 -3.498 25069 8910 1 16 . 1 1 59 59 MET HA H 59 3.614 3.614 3.903 -0.289 25069 8911 1 16 . 1 1 59 59 MET C C 59 177.513 177.513 178.190 -0.677 25069 8912 1 16 . 1 1 59 59 MET CA C 59 58.765 58.765 59.399 -0.634 25069 8913 1 16 . 1 1 59 59 MET CB C 59 31.060 31.060 31.979 -0.919 25069 8914 1 16 . 1 1 59 59 MET H H 59 8.049 8.049 8.554 -0.505 25069 8915 1 16 . 1 1 60 60 SER N N 60 111.447 111.447 113.814 -2.367 25069 8916 1 16 . 1 1 60 60 SER HA H 60 4.066 4.066 4.200 -0.134 25069 8917 1 16 . 1 1 60 60 SER C C 60 175.986 175.986 176.900 -0.914 25069 8918 1 16 . 1 1 60 60 SER CA C 60 61.416 61.416 61.275 0.141 25069 8919 1 16 . 1 1 60 60 SER CB C 60 62.945 62.945 62.441 0.504 25069 8920 1 16 . 1 1 60 60 SER H H 60 7.839 7.839 8.342 -0.503 25069 8921 1 16 . 1 1 61 61 ASN N N 61 117.559 117.559 119.686 -2.127 25069 8922 1 16 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.604 -0.254 25069 8923 1 16 . 1 1 61 61 ASN C C 61 176.377 176.377 176.948 -0.571 25069 8924 1 16 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.330 -0.327 25069 8925 1 16 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.769 0.104 25069 8926 1 16 . 1 1 61 61 ASN H H 61 7.615 7.615 8.033 -0.418 25069 8927 1 16 . 1 1 62 62 LEU N N 62 117.926 117.926 117.500 0.426 25069 8928 1 16 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.267 -0.239 25069 8929 1 16 . 1 1 62 62 LEU C C 62 178.394 178.394 177.787 0.607 25069 8930 1 16 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.383 0.614 25069 8931 1 16 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.218 1.184 25069 8932 1 16 . 1 1 62 62 LEU H H 62 7.719 7.719 8.090 -0.371 25069 8933 1 16 . 1 1 63 63 ASP N N 63 115.899 115.899 118.432 -2.533 25069 8934 1 16 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.923 -0.355 25069 8935 1 16 . 1 1 63 63 ASP C C 63 176.866 176.866 177.013 -0.147 25069 8936 1 16 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.334 -1.594 25069 8937 1 16 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.272 -0.786 25069 8938 1 16 . 1 1 63 63 ASP H H 63 7.707 7.707 8.203 -0.496 25069 8939 1 16 . 1 1 64 64 SER N N 64 121.158 121.158 122.395 -1.237 25069 8940 1 16 . 1 1 64 64 SER HA H 64 4.080 4.080 4.298 -0.218 25069 8941 1 16 . 1 1 64 64 SER C C 64 175.780 175.780 175.837 -0.057 25069 8942 1 16 . 1 1 64 64 SER CA C 64 60.698 60.698 60.456 0.242 25069 8943 1 16 . 1 1 64 64 SER CB C 64 63.034 63.034 63.205 -0.171 25069 8944 1 16 . 1 1 64 64 SER H H 64 8.034 8.034 8.738 -0.704 25069 8945 1 16 . 1 1 65 65 ASN N N 65 115.443 115.443 118.725 -3.282 25069 8946 1 16 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.631 0.033 25069 8947 1 16 . 1 1 65 65 ASN C C 65 174.775 174.775 175.288 -0.513 25069 8948 1 16 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.830 -1.831 25069 8949 1 16 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.785 -1.614 25069 8950 1 16 . 1 1 65 65 ASN H H 65 8.055 8.055 8.012 0.043 25069 8951 1 16 . 1 1 66 66 ARG N N 66 114.242 114.242 117.110 -2.868 25069 8952 1 16 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.420 -0.493 25069 8953 1 16 . 1 1 66 66 ARG C C 66 175.354 175.354 175.509 -0.155 25069 8954 1 16 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.875 0.284 25069 8955 1 16 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.026 -0.173 25069 8956 1 16 . 1 1 66 66 ARG H H 66 7.560 7.560 7.629 -0.069 25069 8957 1 16 . 1 1 67 67 ASP N N 67 118.260 118.260 119.787 -1.527 25069 8958 1 16 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.712 -0.110 25069 8959 1 16 . 1 1 67 67 ASP C C 67 177.143 177.143 176.203 0.940 25069 8960 1 16 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.281 -0.262 25069 8961 1 16 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.467 -0.763 25069 8962 1 16 . 1 1 67 67 ASP H H 67 8.406 8.406 8.921 -0.515 25069 8963 1 16 . 1 1 68 68 ASN N N 68 115.091 115.091 115.164 -0.073 25069 8964 1 16 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.432 -0.453 25069 8965 1 16 . 1 1 68 68 ASN C C 68 173.046 173.046 173.427 -0.381 25069 8966 1 16 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.469 0.868 25069 8967 1 16 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.468 0.422 25069 8968 1 16 . 1 1 68 68 ASN H H 68 10.021 10.021 8.977 1.044 25069 8969 1 16 . 1 1 69 69 GLU N N 69 115.671 115.671 117.055 -1.384 25069 8970 1 16 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.920 -0.222 25069 8971 1 16 . 1 1 69 69 GLU C C 69 175.335 175.335 175.300 0.035 25069 8972 1 16 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.908 -0.037 25069 8973 1 16 . 1 1 69 69 GLU CB C 69 35.633 35.633 32.809 2.824 25069 8974 1 16 . 1 1 69 69 GLU H H 69 7.724 7.724 7.682 0.042 25069 8975 1 16 . 1 1 70 70 VAL N N 70 124.606 124.606 125.951 -1.345 25069 8976 1 16 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.309 0.826 25069 8977 1 16 . 1 1 70 70 VAL C C 70 175.876 175.876 176.766 -0.890 25069 8978 1 16 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.530 -1.388 25069 8979 1 16 . 1 1 70 70 VAL CB C 70 33.557 33.557 31.596 1.961 25069 8980 1 16 . 1 1 70 70 VAL H H 70 9.814 9.814 8.788 1.026 25069 8981 1 16 . 1 1 71 71 ASP N N 71 127.612 127.612 128.635 -1.023 25069 8982 1 16 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.388 -0.363 25069 8983 1 16 . 1 1 71 71 ASP C C 71 175.018 175.018 177.667 -2.649 25069 8984 1 16 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.602 -1.041 25069 8985 1 16 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.961 -0.982 25069 8986 1 16 . 1 1 71 71 ASP H H 71 8.896 8.896 9.322 -0.426 25069 8987 1 16 . 1 1 72 72 PHE N N 72 117.738 117.738 118.560 -0.822 25069 8988 1 16 . 1 1 72 72 PHE C C 72 177.390 177.390 177.757 -0.367 25069 8989 1 16 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.432 0.594 25069 8990 1 16 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.562 0.666 25069 8991 1 16 . 1 1 72 72 PHE H H 72 8.993 8.993 8.335 0.658 25069 8992 1 16 . 1 1 73 73 GLN N N 73 120.479 120.479 118.331 2.148 25069 8993 1 16 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.900 -0.096 25069 8994 1 16 . 1 1 73 73 GLN C C 73 178.583 178.583 177.958 0.625 25069 8995 1 16 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.367 0.693 25069 8996 1 16 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.767 -0.939 25069 8997 1 16 . 1 1 73 73 GLN H H 73 8.246 8.246 9.083 -0.837 25069 8998 1 16 . 1 1 74 74 GLU N N 74 120.179 120.179 119.654 0.525 25069 8999 1 16 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.062 -0.218 25069 9000 1 16 . 1 1 74 74 GLU C C 74 180.584 180.584 179.370 1.214 25069 9001 1 16 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.381 -0.368 25069 9002 1 16 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.554 0.852 25069 9003 1 16 . 1 1 74 74 GLU H H 74 8.782 8.782 9.160 -0.378 25069 9004 1 16 . 1 1 75 75 TYR N N 75 122.109 122.109 120.730 1.379 25069 9005 1 16 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.453 -0.441 25069 9006 1 16 . 1 1 75 75 TYR C C 75 175.383 175.383 177.309 -1.926 25069 9007 1 16 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.348 -0.125 25069 9008 1 16 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.781 0.009 25069 9009 1 16 . 1 1 75 75 TYR H H 75 8.619 8.619 8.511 0.108 25069 9010 1 16 . 1 1 76 76 SER N N 76 117.790 117.790 115.717 2.073 25069 9011 1 16 . 1 1 76 76 SER HA H 76 3.326 3.326 3.948 -0.622 25069 9012 1 16 . 1 1 76 76 SER C C 76 176.930 176.930 176.580 0.350 25069 9013 1 16 . 1 1 76 76 SER CA C 76 62.377 62.377 61.597 0.779 25069 9014 1 16 . 1 1 76 76 SER CB C 76 62.573 62.573 62.864 -0.291 25069 9015 1 16 . 1 1 76 76 SER H H 76 8.654 8.654 8.254 0.400 25069 9016 1 16 . 1 1 77 77 VAL N N 77 123.033 123.033 121.437 1.596 25069 9017 1 16 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.732 -0.153 25069 9018 1 16 . 1 1 77 77 VAL C C 77 178.969 178.969 177.689 1.280 25069 9019 1 16 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.007 0.089 25069 9020 1 16 . 1 1 77 77 VAL CB C 77 31.977 31.977 30.771 1.206 25069 9021 1 16 . 1 1 77 77 VAL H H 77 7.844 7.844 8.623 -0.779 25069 9022 1 16 . 1 1 78 78 PHE N N 78 121.473 121.473 122.234 -0.761 25069 9023 1 16 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.076 0.272 25069 9024 1 16 . 1 1 78 78 PHE C C 78 177.726 177.726 177.003 0.723 25069 9025 1 16 . 1 1 78 78 PHE CA C 78 59.329 59.329 61.039 -1.710 25069 9026 1 16 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.426 0.118 25069 9027 1 16 . 1 1 78 78 PHE H H 78 7.439 7.439 7.721 -0.282 25069 9028 1 16 . 1 1 79 79 LEU N N 79 118.574 118.574 118.264 0.310 25069 9029 1 16 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.078 0.152 25069 9030 1 16 . 1 1 79 79 LEU C C 79 178.837 178.837 178.880 -0.043 25069 9031 1 16 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.463 0.267 25069 9032 1 16 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.708 -0.256 25069 9033 1 16 . 1 1 79 79 LEU H H 79 8.298 8.298 7.952 0.346 25069 9034 1 16 . 1 1 80 80 SER N N 80 112.827 112.827 115.016 -2.189 25069 9035 1 16 . 1 1 80 80 SER HA H 80 3.978 3.978 4.006 -0.028 25069 9036 1 16 . 1 1 80 80 SER C C 80 175.796 175.796 176.689 -0.893 25069 9037 1 16 . 1 1 80 80 SER CA C 80 62.278 62.278 61.697 0.582 25069 9038 1 16 . 1 1 80 80 SER CB C 80 63.148 63.148 62.655 0.493 25069 9039 1 16 . 1 1 80 80 SER H H 80 7.728 7.728 8.425 -0.697 25069 9040 1 16 . 1 1 81 81 SER N N 81 117.584 117.584 118.432 -0.848 25069 9041 1 16 . 1 1 81 81 SER HA H 81 4.151 4.151 4.179 -0.028 25069 9042 1 16 . 1 1 81 81 SER C C 81 176.761 176.761 176.929 -0.168 25069 9043 1 16 . 1 1 81 81 SER CA C 81 61.673 61.673 62.257 -0.584 25069 9044 1 16 . 1 1 81 81 SER CB C 81 62.441 62.441 62.922 -0.480 25069 9045 1 16 . 1 1 81 81 SER H H 81 7.703 7.703 8.178 -0.475 25069 9046 1 16 . 1 1 82 82 ILE N N 82 122.194 122.194 122.248 -0.054 25069 9047 1 16 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.580 0.068 25069 9048 1 16 . 1 1 82 82 ILE C C 82 178.743 178.743 178.041 0.702 25069 9049 1 16 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.613 -1.464 25069 9050 1 16 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.185 -0.460 25069 9051 1 16 . 1 1 82 82 ILE H H 82 7.490 7.490 8.016 -0.526 25069 9052 1 16 . 1 1 83 83 ALA N N 83 123.288 123.288 122.140 1.148 25069 9053 1 16 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.946 -0.132 25069 9054 1 16 . 1 1 83 83 ALA C C 83 179.019 179.019 179.664 -0.645 25069 9055 1 16 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.021 0.506 25069 9056 1 16 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.215 -0.566 25069 9057 1 16 . 1 1 83 83 ALA H H 83 8.190 8.190 7.817 0.373 25069 9058 1 16 . 1 1 84 84 MET N N 84 114.549 114.549 118.728 -4.179 25069 9059 1 16 . 1 1 84 84 MET HA H 84 4.660 4.660 4.344 0.316 25069 9060 1 16 . 1 1 84 84 MET C C 84 174.776 174.776 179.009 -4.233 25069 9061 1 16 . 1 1 84 84 MET CA C 84 58.603 58.603 59.234 -0.631 25069 9062 1 16 . 1 1 84 84 MET CB C 84 37.147 37.147 32.707 4.440 25069 9063 1 16 . 1 1 84 84 MET H H 84 8.060 8.060 8.343 -0.283 25069 9064 1 16 . 1 1 85 85 MET N N 85 114.638 114.638 118.314 -3.676 25069 9065 1 16 . 1 1 85 85 MET HA H 85 4.079 4.079 4.264 -0.185 25069 9066 1 16 . 1 1 85 85 MET C C 85 178.153 178.153 179.054 -0.901 25069 9067 1 16 . 1 1 85 85 MET CA C 85 58.444 58.444 58.022 0.422 25069 9068 1 16 . 1 1 85 85 MET CB C 85 32.523 32.523 31.118 1.405 25069 9069 1 16 . 1 1 85 85 MET H H 85 8.097 8.097 8.624 -0.527 25069 9070 1 16 . 1 1 86 86 SER N N 86 114.719 114.719 114.955 -0.236 25069 9071 1 16 . 1 1 86 86 SER HA H 86 4.184 4.184 4.168 0.016 25069 9072 1 16 . 1 1 86 86 SER C C 86 176.656 176.656 175.915 0.741 25069 9073 1 16 . 1 1 86 86 SER CA C 86 60.867 60.867 61.990 -1.123 25069 9074 1 16 . 1 1 86 86 SER CB C 86 63.250 63.250 62.825 0.424 25069 9075 1 16 . 1 1 86 86 SER H H 86 8.119 8.119 8.671 -0.552 25069 9076 1 16 . 1 1 87 87 ASN N N 87 119.754 119.754 117.959 1.795 25069 9077 1 16 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.730 -0.152 25069 9078 1 16 . 1 1 87 87 ASN C C 87 176.062 176.062 177.696 -1.634 25069 9079 1 16 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.113 1.063 25069 9080 1 16 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.883 -0.135 25069 9081 1 16 . 1 1 87 87 ASN H H 87 8.328 8.328 7.947 0.381 25069 9082 1 16 . 1 1 88 88 GLU N N 88 117.928 117.928 121.999 -4.071 25069 9083 1 16 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.206 -0.467 25069 9084 1 16 . 1 1 88 88 GLU C C 88 177.870 177.870 178.907 -1.037 25069 9085 1 16 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.255 -0.323 25069 9086 1 16 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.367 -0.086 25069 9087 1 16 . 1 1 88 88 GLU H H 88 7.747 7.747 8.627 -0.880 25069 9088 1 16 . 1 1 89 89 PHE N N 89 116.133 116.133 118.516 -2.383 25069 9089 1 16 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.219 -0.050 25069 9090 1 16 . 1 1 89 89 PHE C C 89 176.404 176.404 178.230 -1.826 25069 9091 1 16 . 1 1 89 89 PHE CA C 89 59.056 59.056 60.947 -1.891 25069 9092 1 16 . 1 1 89 89 PHE CB C 89 38.842 38.842 38.542 0.300 25069 9093 1 16 . 1 1 89 89 PHE H H 89 7.465 7.465 8.728 -1.263 25069 9094 1 16 . 1 1 90 90 PHE N N 90 119.130 119.130 120.261 -1.131 25069 9095 1 16 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.256 -0.201 25069 9096 1 16 . 1 1 90 90 PHE C C 90 176.420 176.420 176.737 -0.317 25069 9097 1 16 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.386 -0.616 25069 9098 1 16 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.434 -0.121 25069 9099 1 16 . 1 1 90 90 PHE H H 90 7.537 7.537 7.694 -0.157 25069 9100 1 16 . 1 1 91 91 GLU N N 91 118.971 118.971 116.868 2.103 25069 9101 1 16 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.288 -0.548 25069 9102 1 16 . 1 1 91 91 GLU C C 91 176.491 176.491 177.960 -1.469 25069 9103 1 16 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.777 0.454 25069 9104 1 16 . 1 1 91 91 GLU CB C 91 30.048 30.048 31.291 -1.244 25069 9105 1 16 . 1 1 91 91 GLU H H 91 7.938 7.938 8.014 -0.076 25069 9106 1 16 . 1 1 92 92 GLY N N 92 105.912 105.912 106.968 -1.056 25069 9107 1 16 . 1 1 92 92 GLY C C 92 173.288 173.288 173.344 -0.056 25069 9108 1 16 . 1 1 92 92 GLY CA C 92 45.064 45.064 44.812 0.252 25069 9109 1 16 . 1 1 92 92 GLY H H 92 7.201 7.201 8.336 -1.135 25069 9110 1 16 . 1 1 93 93 PHE N N 93 118.877 118.877 118.668 0.209 25069 9111 1 16 . 1 1 93 93 PHE C C 93 174.128 174.128 173.784 0.344 25069 9112 1 16 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.783 1.426 25069 9113 1 16 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.605 -2.835 25069 9114 1 16 . 1 1 93 93 PHE H H 93 7.844 7.844 7.554 0.290 25069 9115 1 16 . 1 1 94 94 PRO HA H 94 4.206 4.206 5.029 -0.823 25069 9116 1 16 . 1 1 94 94 PRO C C 94 176.669 176.669 176.036 0.633 25069 9117 1 16 . 1 1 94 94 PRO CA C 94 63.701 63.701 62.476 1.225 25069 9118 1 16 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.174 1.662 25069 9119 1 16 . 1 1 95 95 ASP N N 95 118.031 118.031 119.686 -1.655 25069 9120 1 16 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.595 -0.188 25069 9121 1 16 . 1 1 95 95 ASP C C 95 176.139 176.139 176.954 -0.815 25069 9122 1 16 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.532 -0.051 25069 9123 1 16 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.384 -0.363 25069 9124 1 16 . 1 1 95 95 ASP H H 95 8.144 8.144 8.197 -0.053 25069 9125 1 16 . 1 1 96 96 LYS N N 96 119.472 119.472 118.352 1.120 25069 9126 1 16 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.274 -0.137 25069 9127 1 16 . 1 1 96 96 LYS C C 96 176.212 176.212 176.625 -0.413 25069 9128 1 16 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.591 -1.412 25069 9129 1 16 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.844 -0.061 25069 9130 1 16 . 1 1 96 96 LYS H H 96 7.980 7.980 8.440 -0.460 25069 9131 1 16 . 1 1 97 97 GLN N N 97 120.185 120.185 117.443 2.742 25069 9132 1 16 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.734 -0.313 25069 9133 1 16 . 1 1 97 97 GLN C C 97 173.700 173.700 173.706 -0.006 25069 9134 1 16 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.231 1.572 25069 9135 1 16 . 1 1 97 97 GLN CB C 97 28.732 28.732 29.572 -0.840 25069 9136 1 16 . 1 1 97 97 GLN H H 97 8.007 8.007 7.484 0.523 25069 9137 1 16 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.623 -0.380 25069 9138 1 16 . 1 1 98 98 PRO C C 98 176.605 176.605 175.909 0.696 25069 9139 1 16 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.732 0.282 25069 9140 1 16 . 1 1 98 98 PRO CB C 98 31.937 31.937 30.514 1.423 25069 9141 1 16 . 1 1 99 99 ARG N N 99 120.677 120.677 116.370 4.307 25069 9142 1 16 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.405 -0.260 25069 9143 1 16 . 1 1 99 99 ARG C C 99 176.053 176.053 177.255 -1.202 25069 9144 1 16 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.139 -1.167 25069 9145 1 16 . 1 1 99 99 ARG CB C 99 30.894 30.894 30.584 0.310 25069 9146 1 16 . 1 1 99 99 ARG H H 99 8.254 8.254 7.820 0.434 25069 9147 1 16 . 1 1 100 100 LYS N N 100 122.775 122.775 119.746 3.029 25069 9148 1 16 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.255 -0.111 25069 9149 1 16 . 1 1 100 100 LYS C C 100 175.376 175.376 176.202 -0.826 25069 9150 1 16 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.547 -0.151 25069 9151 1 16 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.367 -0.078 25069 9152 1 16 . 1 1 100 100 LYS H H 100 8.230 8.230 7.576 0.654 25069 9153 1 17 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.594 -0.385 25069 9154 1 17 . 1 1 2 2 ALA C C 2 173.983 173.983 177.800 -3.817 25069 9155 1 17 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.420 0.182 25069 9156 1 17 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.672 1.204 25069 9157 1 17 . 1 1 3 3 SER N N 3 121.630 121.630 116.837 4.793 25069 9158 1 17 . 1 1 3 3 SER C C 3 172.689 172.689 174.038 -1.349 25069 9159 1 17 . 1 1 3 3 SER CA C 3 56.943 56.943 59.663 -2.720 25069 9160 1 17 . 1 1 3 3 SER CB C 3 63.102 63.102 61.237 1.865 25069 9161 1 17 . 1 1 3 3 SER H H 3 9.907 9.907 7.982 1.925 25069 9162 1 17 . 1 1 4 4 PRO C C 4 179.695 179.695 178.190 1.505 25069 9163 1 17 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.635 0.099 25069 9164 1 17 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.408 0.372 25069 9165 1 17 . 1 1 5 5 LEU N N 5 118.522 118.522 119.043 -0.521 25069 9166 1 17 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.873 0.158 25069 9167 1 17 . 1 1 5 5 LEU C C 5 177.968 177.968 178.501 -0.533 25069 9168 1 17 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.185 -0.537 25069 9169 1 17 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.739 0.896 25069 9170 1 17 . 1 1 5 5 LEU H H 5 8.277 8.277 7.650 0.627 25069 9171 1 17 . 1 1 6 6 GLU N N 6 118.997 118.997 117.954 1.043 25069 9172 1 17 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.986 -0.290 25069 9173 1 17 . 1 1 6 6 GLU C C 6 180.177 180.177 179.351 0.826 25069 9174 1 17 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.371 0.968 25069 9175 1 17 . 1 1 6 6 GLU CB C 6 29.834 29.834 28.982 0.852 25069 9176 1 17 . 1 1 6 6 GLU H H 6 8.130 8.130 8.506 -0.376 25069 9177 1 17 . 1 1 7 7 LYS N N 7 117.838 117.838 117.960 -0.122 25069 9178 1 17 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.190 -0.194 25069 9179 1 17 . 1 1 7 7 LYS C C 7 178.764 178.764 178.790 -0.026 25069 9180 1 17 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.771 1.585 25069 9181 1 17 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.832 0.327 25069 9182 1 17 . 1 1 7 7 LYS H H 7 8.341 8.341 7.750 0.591 25069 9183 1 17 . 1 1 8 8 ALA N N 8 122.327 122.327 122.364 -0.037 25069 9184 1 17 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.165 -0.186 25069 9185 1 17 . 1 1 8 8 ALA C C 8 179.482 179.482 179.320 0.162 25069 9186 1 17 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.411 0.757 25069 9187 1 17 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.103 0.191 25069 9188 1 17 . 1 1 8 8 ALA H H 8 8.082 8.082 8.162 -0.080 25069 9189 1 17 . 1 1 9 9 LEU N N 9 118.212 118.212 118.769 -0.557 25069 9190 1 17 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.839 0.108 25069 9191 1 17 . 1 1 9 9 LEU C C 9 178.844 178.844 178.573 0.271 25069 9192 1 17 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.542 0.667 25069 9193 1 17 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.009 0.607 25069 9194 1 17 . 1 1 9 9 LEU H H 9 8.042 8.042 7.987 0.055 25069 9195 1 17 . 1 1 10 10 ASP N N 10 117.997 117.997 119.717 -1.720 25069 9196 1 17 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.351 0.036 25069 9197 1 17 . 1 1 10 10 ASP C C 10 179.582 179.582 178.544 1.038 25069 9198 1 17 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.642 0.128 25069 9199 1 17 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.164 -0.171 25069 9200 1 17 . 1 1 10 10 ASP H H 10 7.587 7.587 7.600 -0.013 25069 9201 1 17 . 1 1 11 11 VAL N N 11 120.702 120.702 120.055 0.647 25069 9202 1 17 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.640 0.097 25069 9203 1 17 . 1 1 11 11 VAL C C 11 180.061 180.061 177.734 2.327 25069 9204 1 17 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.504 0.640 25069 9205 1 17 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.605 0.021 25069 9206 1 17 . 1 1 11 11 VAL H H 11 8.099 8.099 7.577 0.522 25069 9207 1 17 . 1 1 12 12 MET N N 12 123.185 123.185 120.104 3.081 25069 9208 1 17 . 1 1 12 12 MET HA H 12 3.921 3.921 4.055 -0.134 25069 9209 1 17 . 1 1 12 12 MET C C 12 178.871 178.871 177.134 1.737 25069 9210 1 17 . 1 1 12 12 MET CA C 12 60.784 60.784 56.861 3.923 25069 9211 1 17 . 1 1 12 12 MET CB C 12 32.579 32.579 31.748 0.831 25069 9212 1 17 . 1 1 12 12 MET H H 12 8.454 8.454 7.646 0.808 25069 9213 1 17 . 1 1 13 13 VAL N N 13 118.900 118.900 118.247 0.653 25069 9214 1 17 . 1 1 13 13 VAL HA H 13 3.925 3.925 2.326 1.599 25069 9215 1 17 . 1 1 13 13 VAL C C 13 177.712 177.712 177.399 0.313 25069 9216 1 17 . 1 1 13 13 VAL CA C 13 66.680 66.680 65.985 0.695 25069 9217 1 17 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.139 3.108 25069 9218 1 17 . 1 1 13 13 VAL H H 13 8.117 8.117 7.279 0.838 25069 9219 1 17 . 1 1 14 14 SER N N 14 114.675 114.675 114.386 0.289 25069 9220 1 17 . 1 1 14 14 SER HA H 14 3.966 3.966 3.459 0.507 25069 9221 1 17 . 1 1 14 14 SER C C 14 178.306 178.306 176.024 2.282 25069 9222 1 17 . 1 1 14 14 SER CA C 14 61.937 61.937 60.474 1.462 25069 9223 1 17 . 1 1 14 14 SER CB C 14 62.474 62.474 62.272 0.202 25069 9224 1 17 . 1 1 14 14 SER H H 14 8.935 8.935 7.386 1.549 25069 9225 1 17 . 1 1 15 15 THR N N 15 117.582 117.582 118.704 -1.122 25069 9226 1 17 . 1 1 15 15 THR HA H 15 4.190 4.190 3.797 0.393 25069 9227 1 17 . 1 1 15 15 THR C C 15 174.459 174.459 176.264 -1.805 25069 9228 1 17 . 1 1 15 15 THR CA C 15 67.683 67.683 66.881 0.802 25069 9229 1 17 . 1 1 15 15 THR CB C 15 68.187 68.187 68.319 -0.132 25069 9230 1 17 . 1 1 15 15 THR H H 15 8.543 8.543 7.638 0.905 25069 9231 1 17 . 1 1 16 16 PHE N N 16 118.606 118.606 119.298 -0.692 25069 9232 1 17 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.838 -0.469 25069 9233 1 17 . 1 1 16 16 PHE C C 16 176.480 176.480 177.378 -0.898 25069 9234 1 17 . 1 1 16 16 PHE CA C 16 62.481 62.481 59.535 2.946 25069 9235 1 17 . 1 1 16 16 PHE CB C 16 39.236 39.236 36.477 2.759 25069 9236 1 17 . 1 1 16 16 PHE H H 16 6.809 6.809 7.403 -0.594 25069 9237 1 17 . 1 1 17 17 HIS N N 17 114.536 114.536 116.697 -2.161 25069 9238 1 17 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.497 0.229 25069 9239 1 17 . 1 1 17 17 HIS C C 17 177.124 177.124 177.616 -0.492 25069 9240 1 17 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.820 -0.093 25069 9241 1 17 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.358 0.790 25069 9242 1 17 . 1 1 17 17 HIS H H 17 6.955 6.955 7.299 -0.344 25069 9243 1 17 . 1 1 18 18 LYS N N 18 120.739 120.739 120.143 0.596 25069 9244 1 17 . 1 1 18 18 LYS HA H 18 3.718 3.718 4.059 -0.341 25069 9245 1 17 . 1 1 18 18 LYS C C 18 177.006 177.006 177.644 -0.638 25069 9246 1 17 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.793 0.075 25069 9247 1 17 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.112 0.002 25069 9248 1 17 . 1 1 18 18 LYS H H 18 7.820 7.820 7.551 0.269 25069 9249 1 17 . 1 1 19 19 TYR N N 19 112.545 112.545 116.527 -3.982 25069 9250 1 17 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.462 -0.323 25069 9251 1 17 . 1 1 19 19 TYR C C 19 176.218 176.218 177.771 -1.553 25069 9252 1 17 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.810 -0.912 25069 9253 1 17 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.699 0.758 25069 9254 1 17 . 1 1 19 19 TYR H H 19 6.730 6.730 7.721 -0.991 25069 9255 1 17 . 1 1 20 20 SER N N 20 113.404 113.404 115.515 -2.111 25069 9256 1 17 . 1 1 20 20 SER HA H 20 3.385 3.385 4.742 -1.357 25069 9257 1 17 . 1 1 20 20 SER C C 20 176.961 176.961 176.467 0.494 25069 9258 1 17 . 1 1 20 20 SER CA C 20 61.866 61.866 61.052 0.814 25069 9259 1 17 . 1 1 20 20 SER CB C 20 60.904 60.904 63.383 -2.479 25069 9260 1 17 . 1 1 20 20 SER H H 20 8.493 8.493 8.715 -0.222 25069 9261 1 17 . 1 1 21 21 GLY N N 21 109.001 109.001 108.028 0.973 25069 9262 1 17 . 1 1 21 21 GLY C C 21 173.502 173.502 174.365 -0.863 25069 9263 1 17 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.770 0.769 25069 9264 1 17 . 1 1 21 21 GLY H H 21 7.512 7.512 7.749 -0.237 25069 9265 1 17 . 1 1 22 22 LYS N N 22 120.754 120.754 119.216 1.538 25069 9266 1 17 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.464 -0.669 25069 9267 1 17 . 1 1 22 22 LYS C C 22 177.354 177.354 176.925 0.429 25069 9268 1 17 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.395 2.611 25069 9269 1 17 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.900 -0.917 25069 9270 1 17 . 1 1 22 22 LYS H H 22 6.958 6.958 7.982 -1.024 25069 9271 1 17 . 1 1 23 23 GLU N N 23 115.305 115.305 118.529 -3.224 25069 9272 1 17 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.539 -0.081 25069 9273 1 17 . 1 1 23 23 GLU C C 23 176.733 176.733 176.435 0.298 25069 9274 1 17 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.034 -0.599 25069 9275 1 17 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.943 2.411 25069 9276 1 17 . 1 1 23 23 GLU H H 23 9.425 9.425 8.974 0.451 25069 9277 1 17 . 1 1 24 24 GLY N N 24 112.542 112.542 112.320 0.222 25069 9278 1 17 . 1 1 24 24 GLY C C 24 173.486 173.486 174.182 -0.696 25069 9279 1 17 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.627 -0.285 25069 9280 1 17 . 1 1 24 24 GLY H H 24 8.879 8.879 8.629 0.250 25069 9281 1 17 . 1 1 25 25 ASP N N 25 125.117 125.117 122.666 2.451 25069 9282 1 17 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.856 -0.573 25069 9283 1 17 . 1 1 25 25 ASP C C 25 179.177 179.177 175.822 3.355 25069 9284 1 17 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.257 1.857 25069 9285 1 17 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.309 -0.573 25069 9286 1 17 . 1 1 25 25 ASP H H 25 8.423 8.423 8.073 0.350 25069 9287 1 17 . 1 1 26 26 LYS N N 26 131.175 131.175 118.832 12.343 25069 9288 1 17 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.615 -0.419 25069 9289 1 17 . 1 1 26 26 LYS C C 26 176.638 176.638 175.601 1.037 25069 9290 1 17 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.621 1.347 25069 9291 1 17 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.860 -2.637 25069 9292 1 17 . 1 1 26 26 LYS H H 26 9.247 9.247 8.422 0.825 25069 9293 1 17 . 1 1 27 27 PHE N N 27 118.593 118.593 118.313 0.280 25069 9294 1 17 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.020 0.679 25069 9295 1 17 . 1 1 27 27 PHE C C 27 173.452 173.452 174.012 -0.560 25069 9296 1 17 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.507 -1.475 25069 9297 1 17 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.197 -1.107 25069 9298 1 17 . 1 1 27 27 PHE H H 27 9.335 9.335 8.948 0.387 25069 9299 1 17 . 1 1 28 28 LYS N N 28 113.854 113.854 119.253 -5.399 25069 9300 1 17 . 1 1 28 28 LYS HA H 28 5.004 5.004 4.962 0.042 25069 9301 1 17 . 1 1 28 28 LYS C C 28 174.468 174.468 175.227 -0.759 25069 9302 1 17 . 1 1 28 28 LYS CA C 28 55.287 55.287 54.880 0.406 25069 9303 1 17 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.410 1.607 25069 9304 1 17 . 1 1 28 28 LYS H H 28 6.985 6.985 7.606 -0.621 25069 9305 1 17 . 1 1 29 29 LEU N N 29 124.858 124.858 124.737 0.121 25069 9306 1 17 . 1 1 29 29 LEU HA H 29 5.013 5.013 5.105 -0.092 25069 9307 1 17 . 1 1 29 29 LEU C C 29 175.791 175.791 176.675 -0.884 25069 9308 1 17 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.359 -0.760 25069 9309 1 17 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.372 1.185 25069 9310 1 17 . 1 1 29 29 LEU H H 29 9.454 9.454 8.973 0.481 25069 9311 1 17 . 1 1 30 30 ASN N N 30 122.896 122.896 122.742 0.154 25069 9312 1 17 . 1 1 30 30 ASN HA H 30 4.578 4.578 4.983 -0.405 25069 9313 1 17 . 1 1 30 30 ASN C C 30 174.969 174.969 176.738 -1.769 25069 9314 1 17 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.291 -1.193 25069 9315 1 17 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.419 -2.061 25069 9316 1 17 . 1 1 30 30 ASN H H 30 9.560 9.560 8.189 1.371 25069 9317 1 17 . 1 1 31 31 LYS N N 31 115.136 115.136 119.569 -4.433 25069 9318 1 17 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.887 -0.017 25069 9319 1 17 . 1 1 31 31 LYS C C 31 177.992 177.992 178.448 -0.456 25069 9320 1 17 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.798 0.237 25069 9321 1 17 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.875 0.330 25069 9322 1 17 . 1 1 31 31 LYS H H 31 8.204 8.204 8.882 -0.678 25069 9323 1 17 . 1 1 32 32 SER N N 32 113.755 113.755 113.995 -0.240 25069 9324 1 17 . 1 1 32 32 SER HA H 32 3.939 3.939 4.105 -0.166 25069 9325 1 17 . 1 1 32 32 SER C C 32 177.484 177.484 176.292 1.192 25069 9326 1 17 . 1 1 32 32 SER CA C 32 61.374 61.374 61.609 -0.235 25069 9327 1 17 . 1 1 32 32 SER CB C 32 62.733 62.733 62.554 0.179 25069 9328 1 17 . 1 1 32 32 SER H H 32 7.575 7.575 8.343 -0.768 25069 9329 1 17 . 1 1 33 33 GLU N N 33 122.657 122.657 121.358 1.299 25069 9330 1 17 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.139 -0.226 25069 9331 1 17 . 1 1 33 33 GLU C C 33 178.560 178.560 179.107 -0.547 25069 9332 1 17 . 1 1 33 33 GLU CA C 33 58.842 58.842 59.342 -0.500 25069 9333 1 17 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.769 1.430 25069 9334 1 17 . 1 1 33 33 GLU H H 33 8.608 8.608 7.714 0.894 25069 9335 1 17 . 1 1 34 34 LEU N N 34 117.375 117.375 117.322 0.053 25069 9336 1 17 . 1 1 34 34 LEU HA H 34 3.805 3.805 4.108 -0.303 25069 9337 1 17 . 1 1 34 34 LEU C C 34 177.693 177.693 178.647 -0.954 25069 9338 1 17 . 1 1 34 34 LEU CA C 34 57.776 57.776 57.615 0.161 25069 9339 1 17 . 1 1 34 34 LEU CB C 34 41.697 41.697 40.471 1.226 25069 9340 1 17 . 1 1 34 34 LEU H H 34 8.859 8.859 8.689 0.170 25069 9341 1 17 . 1 1 35 35 LYS N N 35 117.418 117.418 121.180 -3.762 25069 9342 1 17 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.462 0.064 25069 9343 1 17 . 1 1 35 35 LYS C C 35 179.129 179.129 179.178 -0.049 25069 9344 1 17 . 1 1 35 35 LYS CA C 35 60.166 60.166 59.880 0.286 25069 9345 1 17 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.555 0.204 25069 9346 1 17 . 1 1 35 35 LYS H H 35 7.901 7.901 8.218 -0.317 25069 9347 1 17 . 1 1 36 36 GLU N N 36 120.491 120.491 120.348 0.143 25069 9348 1 17 . 1 1 36 36 GLU HA H 36 3.719 3.719 3.991 -0.272 25069 9349 1 17 . 1 1 36 36 GLU C C 36 176.354 176.354 178.951 -2.597 25069 9350 1 17 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.206 0.763 25069 9351 1 17 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.677 -0.284 25069 9352 1 17 . 1 1 36 36 GLU H H 36 7.619 7.619 8.144 -0.525 25069 9353 1 17 . 1 1 37 37 LEU N N 37 120.058 120.058 120.406 -0.348 25069 9354 1 17 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.855 -0.430 25069 9355 1 17 . 1 1 37 37 LEU C C 37 179.412 179.412 178.600 0.812 25069 9356 1 17 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.360 2.077 25069 9357 1 17 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.601 0.203 25069 9358 1 17 . 1 1 37 37 LEU H H 37 7.762 7.762 8.135 -0.373 25069 9359 1 17 . 1 1 38 38 LEU N N 38 116.987 116.987 120.272 -3.285 25069 9360 1 17 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.207 -0.542 25069 9361 1 17 . 1 1 38 38 LEU C C 38 178.279 178.279 180.123 -1.844 25069 9362 1 17 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.218 0.460 25069 9363 1 17 . 1 1 38 38 LEU CB C 38 42.314 42.314 41.148 1.166 25069 9364 1 17 . 1 1 38 38 LEU H H 38 8.532 8.532 8.515 0.017 25069 9365 1 17 . 1 1 39 39 THR N N 39 108.650 108.650 110.768 -2.118 25069 9366 1 17 . 1 1 39 39 THR HA H 39 3.693 3.693 4.014 -0.321 25069 9367 1 17 . 1 1 39 39 THR C C 39 176.231 176.231 177.009 -0.778 25069 9368 1 17 . 1 1 39 39 THR CA C 39 65.997 65.997 65.910 0.087 25069 9369 1 17 . 1 1 39 39 THR CB C 39 69.618 69.618 68.801 0.817 25069 9370 1 17 . 1 1 39 39 THR H H 39 7.883 7.883 8.690 -0.807 25069 9371 1 17 . 1 1 40 40 ARG N N 40 115.482 115.482 119.877 -4.395 25069 9372 1 17 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.276 -0.124 25069 9373 1 17 . 1 1 40 40 ARG C C 40 178.520 178.520 178.494 0.026 25069 9374 1 17 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.498 -0.463 25069 9375 1 17 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.729 0.516 25069 9376 1 17 . 1 1 40 40 ARG H H 40 8.015 8.015 7.999 0.016 25069 9377 1 17 . 1 1 41 41 GLU N N 41 112.106 112.106 116.781 -4.675 25069 9378 1 17 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.410 0.424 25069 9379 1 17 . 1 1 41 41 GLU C C 41 177.856 177.856 177.243 0.613 25069 9380 1 17 . 1 1 41 41 GLU CA C 41 55.198 55.198 57.117 -1.919 25069 9381 1 17 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.756 -0.435 25069 9382 1 17 . 1 1 41 41 GLU H H 41 8.463 8.463 8.391 0.072 25069 9383 1 17 . 1 1 42 42 LEU N N 42 119.287 119.287 121.405 -2.118 25069 9384 1 17 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.973 0.079 25069 9385 1 17 . 1 1 42 42 LEU C C 42 174.457 174.457 174.634 -0.177 25069 9386 1 17 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.383 0.456 25069 9387 1 17 . 1 1 42 42 LEU CB C 42 44.083 44.083 41.867 2.216 25069 9388 1 17 . 1 1 42 42 LEU H H 42 7.688 7.688 7.915 -0.227 25069 9389 1 17 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.371 -0.167 25069 9390 1 17 . 1 1 43 43 PRO C C 43 179.969 179.969 178.496 1.473 25069 9391 1 17 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.865 -0.176 25069 9392 1 17 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.933 -1.106 25069 9393 1 17 . 1 1 44 44 SER N N 44 114.352 114.352 112.331 2.021 25069 9394 1 17 . 1 1 44 44 SER HA H 44 4.093 4.093 4.248 -0.155 25069 9395 1 17 . 1 1 44 44 SER C C 44 175.709 175.709 176.596 -0.887 25069 9396 1 17 . 1 1 44 44 SER CA C 44 60.793 60.793 61.084 -0.291 25069 9397 1 17 . 1 1 44 44 SER CB C 44 62.400 62.400 62.910 -0.510 25069 9398 1 17 . 1 1 44 44 SER H H 44 8.674 8.674 8.220 0.454 25069 9399 1 17 . 1 1 45 45 PHE N N 45 121.558 121.558 121.859 -0.301 25069 9400 1 17 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.286 -0.134 25069 9401 1 17 . 1 1 45 45 PHE C C 45 176.441 176.441 177.461 -1.020 25069 9402 1 17 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.159 -0.825 25069 9403 1 17 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.236 0.554 25069 9404 1 17 . 1 1 45 45 PHE H H 45 7.952 7.952 7.639 0.313 25069 9405 1 17 . 1 1 46 46 LEU N N 46 117.590 117.590 115.594 1.996 25069 9406 1 17 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.287 -0.451 25069 9407 1 17 . 1 1 46 46 LEU C C 46 178.236 178.236 179.221 -0.985 25069 9408 1 17 . 1 1 46 46 LEU CA C 46 56.144 56.144 54.867 1.277 25069 9409 1 17 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.438 1.078 25069 9410 1 17 . 1 1 46 46 LEU H H 46 7.906 7.906 7.941 -0.035 25069 9411 1 17 . 1 1 47 47 GLY N N 47 104.817 104.817 109.959 -5.142 25069 9412 1 17 . 1 1 47 47 GLY C C 47 174.665 174.665 175.743 -1.078 25069 9413 1 17 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.784 -0.799 25069 9414 1 17 . 1 1 47 47 GLY H H 47 7.646 7.646 7.826 -0.180 25069 9415 1 17 . 1 1 48 48 LYS N N 48 120.422 120.422 118.448 1.974 25069 9416 1 17 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.154 -0.002 25069 9417 1 17 . 1 1 48 48 LYS C C 48 177.029 177.029 176.790 0.239 25069 9418 1 17 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.088 -0.608 25069 9419 1 17 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.758 -0.506 25069 9420 1 17 . 1 1 48 48 LYS H H 48 8.400 8.400 7.332 1.068 25069 9421 1 17 . 1 1 49 49 ARG N N 49 119.815 119.815 118.762 1.053 25069 9422 1 17 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.438 -0.135 25069 9423 1 17 . 1 1 49 49 ARG C C 49 175.183 175.183 173.956 1.227 25069 9424 1 17 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.717 -0.018 25069 9425 1 17 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.783 -1.276 25069 9426 1 17 . 1 1 49 49 ARG H H 49 7.801 7.801 7.522 0.279 25069 9427 1 17 . 1 1 50 50 THR N N 50 110.525 110.525 115.028 -4.503 25069 9428 1 17 . 1 1 50 50 THR HA H 50 4.091 4.091 4.284 -0.193 25069 9429 1 17 . 1 1 50 50 THR C C 50 174.108 174.108 173.876 0.232 25069 9430 1 17 . 1 1 50 50 THR CA C 50 61.579 61.579 61.511 0.068 25069 9431 1 17 . 1 1 50 50 THR CB C 50 69.136 69.136 69.273 -0.137 25069 9432 1 17 . 1 1 50 50 THR H H 50 7.808 7.808 8.037 -0.229 25069 9433 1 17 . 1 1 51 51 ASP N N 51 121.073 121.073 125.832 -4.759 25069 9434 1 17 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.749 -0.189 25069 9435 1 17 . 1 1 51 51 ASP C C 51 175.715 175.715 176.000 -0.285 25069 9436 1 17 . 1 1 51 51 ASP CA C 51 53.054 53.054 52.913 0.141 25069 9437 1 17 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.442 -1.631 25069 9438 1 17 . 1 1 51 51 ASP H H 51 7.924 7.924 7.793 0.131 25069 9439 1 17 . 1 1 52 52 GLU N N 52 120.418 120.418 122.616 -2.198 25069 9440 1 17 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.149 -0.107 25069 9441 1 17 . 1 1 52 52 GLU C C 52 178.726 178.726 178.185 0.541 25069 9442 1 17 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.287 -0.727 25069 9443 1 17 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.728 -0.344 25069 9444 1 17 . 1 1 52 52 GLU H H 52 8.515 8.515 9.017 -0.502 25069 9445 1 17 . 1 1 53 53 ALA N N 53 120.807 120.807 121.209 -0.402 25069 9446 1 17 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.097 -0.061 25069 9447 1 17 . 1 1 53 53 ALA C C 53 180.416 180.416 179.259 1.157 25069 9448 1 17 . 1 1 53 53 ALA CA C 53 55.141 55.141 55.142 -0.001 25069 9449 1 17 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.125 -0.181 25069 9450 1 17 . 1 1 53 53 ALA H H 53 8.242 8.242 8.618 -0.376 25069 9451 1 17 . 1 1 54 54 ALA N N 54 121.069 121.069 122.004 -0.935 25069 9452 1 17 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.025 -0.098 25069 9453 1 17 . 1 1 54 54 ALA C C 54 180.846 180.846 179.682 1.164 25069 9454 1 17 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.777 0.200 25069 9455 1 17 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.111 0.226 25069 9456 1 17 . 1 1 54 54 ALA H H 54 7.874 7.874 7.747 0.127 25069 9457 1 17 . 1 1 55 55 PHE N N 55 118.066 118.066 118.147 -0.081 25069 9458 1 17 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.168 -0.201 25069 9459 1 17 . 1 1 55 55 PHE C C 55 177.160 177.160 177.891 -0.731 25069 9460 1 17 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.888 0.141 25069 9461 1 17 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.399 0.433 25069 9462 1 17 . 1 1 55 55 PHE H H 55 8.013 8.013 8.251 -0.238 25069 9463 1 17 . 1 1 56 56 GLN N N 56 118.474 118.474 120.282 -1.808 25069 9464 1 17 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.989 -0.249 25069 9465 1 17 . 1 1 56 56 GLN C C 56 178.531 178.531 178.077 0.454 25069 9466 1 17 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.124 -0.292 25069 9467 1 17 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.044 -0.190 25069 9468 1 17 . 1 1 56 56 GLN H H 56 8.265 8.265 8.620 -0.355 25069 9469 1 17 . 1 1 57 57 LYS N N 57 119.207 119.207 120.415 -1.208 25069 9470 1 17 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.151 -0.298 25069 9471 1 17 . 1 1 57 57 LYS C C 57 178.458 178.458 179.667 -1.209 25069 9472 1 17 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.859 0.218 25069 9473 1 17 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.091 0.043 25069 9474 1 17 . 1 1 57 57 LYS H H 57 7.622 7.622 8.143 -0.521 25069 9475 1 17 . 1 1 58 58 LEU N N 58 119.398 119.398 122.631 -3.233 25069 9476 1 17 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.910 -0.005 25069 9477 1 17 . 1 1 58 58 LEU C C 58 178.444 178.444 178.113 0.331 25069 9478 1 17 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.996 0.125 25069 9479 1 17 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.657 -0.003 25069 9480 1 17 . 1 1 58 58 LEU H H 58 7.504 7.504 8.398 -0.894 25069 9481 1 17 . 1 1 59 59 MET N N 59 116.434 116.434 119.441 -3.007 25069 9482 1 17 . 1 1 59 59 MET HA H 59 3.614 3.614 3.896 -0.282 25069 9483 1 17 . 1 1 59 59 MET C C 59 177.513 177.513 177.907 -0.394 25069 9484 1 17 . 1 1 59 59 MET CA C 59 58.765 58.765 59.613 -0.848 25069 9485 1 17 . 1 1 59 59 MET CB C 59 31.060 31.060 32.223 -1.163 25069 9486 1 17 . 1 1 59 59 MET H H 59 8.049 8.049 8.729 -0.680 25069 9487 1 17 . 1 1 60 60 SER N N 60 111.447 111.447 114.459 -3.012 25069 9488 1 17 . 1 1 60 60 SER HA H 60 4.066 4.066 4.163 -0.097 25069 9489 1 17 . 1 1 60 60 SER C C 60 175.986 175.986 176.887 -0.901 25069 9490 1 17 . 1 1 60 60 SER CA C 60 61.416 61.416 61.018 0.398 25069 9491 1 17 . 1 1 60 60 SER CB C 60 62.945 62.945 62.310 0.635 25069 9492 1 17 . 1 1 60 60 SER H H 60 7.839 7.839 8.035 -0.196 25069 9493 1 17 . 1 1 61 61 ASN N N 61 117.559 117.559 120.494 -2.935 25069 9494 1 17 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.555 -0.205 25069 9495 1 17 . 1 1 61 61 ASN C C 61 176.377 176.377 177.125 -0.748 25069 9496 1 17 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.372 -0.369 25069 9497 1 17 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.624 0.249 25069 9498 1 17 . 1 1 61 61 ASN H H 61 7.615 7.615 7.942 -0.327 25069 9499 1 17 . 1 1 62 62 LEU N N 62 117.926 117.926 117.478 0.448 25069 9500 1 17 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.208 -0.180 25069 9501 1 17 . 1 1 62 62 LEU C C 62 178.394 178.394 177.880 0.514 25069 9502 1 17 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.449 0.548 25069 9503 1 17 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.203 1.200 25069 9504 1 17 . 1 1 62 62 LEU H H 62 7.719 7.719 8.019 -0.300 25069 9505 1 17 . 1 1 63 63 ASP N N 63 115.899 115.899 118.841 -2.942 25069 9506 1 17 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.855 -0.287 25069 9507 1 17 . 1 1 63 63 ASP C C 63 176.866 176.866 176.917 -0.051 25069 9508 1 17 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.256 -1.516 25069 9509 1 17 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.094 -0.608 25069 9510 1 17 . 1 1 63 63 ASP H H 63 7.707 7.707 8.251 -0.544 25069 9511 1 17 . 1 1 64 64 SER N N 64 121.158 121.158 123.332 -2.174 25069 9512 1 17 . 1 1 64 64 SER HA H 64 4.080 4.080 4.175 -0.095 25069 9513 1 17 . 1 1 64 64 SER C C 64 175.780 175.780 176.164 -0.384 25069 9514 1 17 . 1 1 64 64 SER CA C 64 60.698 60.698 60.925 -0.227 25069 9515 1 17 . 1 1 64 64 SER CB C 64 63.034 63.034 63.246 -0.212 25069 9516 1 17 . 1 1 64 64 SER H H 64 8.034 8.034 8.371 -0.337 25069 9517 1 17 . 1 1 65 65 ASN N N 65 115.443 115.443 118.352 -2.909 25069 9518 1 17 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.551 0.113 25069 9519 1 17 . 1 1 65 65 ASN C C 65 174.775 174.775 175.582 -0.807 25069 9520 1 17 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.641 -1.642 25069 9521 1 17 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.514 -1.343 25069 9522 1 17 . 1 1 65 65 ASN H H 65 8.055 8.055 8.060 -0.005 25069 9523 1 17 . 1 1 66 66 ARG N N 66 114.242 114.242 116.491 -2.249 25069 9524 1 17 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.284 -0.357 25069 9525 1 17 . 1 1 66 66 ARG C C 66 175.354 175.354 175.525 -0.171 25069 9526 1 17 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.992 0.167 25069 9527 1 17 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.084 -0.231 25069 9528 1 17 . 1 1 66 66 ARG H H 66 7.560 7.560 7.755 -0.195 25069 9529 1 17 . 1 1 67 67 ASP N N 67 118.260 118.260 120.066 -1.806 25069 9530 1 17 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.648 -0.046 25069 9531 1 17 . 1 1 67 67 ASP C C 67 177.143 177.143 176.623 0.520 25069 9532 1 17 . 1 1 67 67 ASP CA C 67 53.019 53.019 54.222 -1.203 25069 9533 1 17 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.525 -0.821 25069 9534 1 17 . 1 1 67 67 ASP H H 67 8.406 8.406 8.305 0.101 25069 9535 1 17 . 1 1 68 68 ASN N N 68 115.091 115.091 113.856 1.235 25069 9536 1 17 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.317 -0.338 25069 9537 1 17 . 1 1 68 68 ASN C C 68 173.046 173.046 173.149 -0.103 25069 9538 1 17 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.393 0.944 25069 9539 1 17 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.711 0.179 25069 9540 1 17 . 1 1 68 68 ASN H H 68 10.021 10.021 9.204 0.817 25069 9541 1 17 . 1 1 69 69 GLU N N 69 115.671 115.671 116.626 -0.955 25069 9542 1 17 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.939 -0.241 25069 9543 1 17 . 1 1 69 69 GLU C C 69 175.335 175.335 174.925 0.410 25069 9544 1 17 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.047 -0.176 25069 9545 1 17 . 1 1 69 69 GLU CB C 69 35.633 35.633 32.945 2.688 25069 9546 1 17 . 1 1 69 69 GLU H H 69 7.724 7.724 7.694 0.030 25069 9547 1 17 . 1 1 70 70 VAL N N 70 124.606 124.606 125.886 -1.280 25069 9548 1 17 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.286 0.849 25069 9549 1 17 . 1 1 70 70 VAL C C 70 175.876 175.876 176.251 -0.375 25069 9550 1 17 . 1 1 70 70 VAL CA C 70 61.142 61.142 63.446 -2.304 25069 9551 1 17 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.245 1.312 25069 9552 1 17 . 1 1 70 70 VAL H H 70 9.814 9.814 8.695 1.119 25069 9553 1 17 . 1 1 71 71 ASP N N 71 127.612 127.612 127.934 -0.322 25069 9554 1 17 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.377 -0.352 25069 9555 1 17 . 1 1 71 71 ASP C C 71 175.018 175.018 177.852 -2.834 25069 9556 1 17 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.145 -0.584 25069 9557 1 17 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.830 -0.850 25069 9558 1 17 . 1 1 71 71 ASP H H 71 8.896 8.896 9.563 -0.667 25069 9559 1 17 . 1 1 72 72 PHE N N 72 117.738 117.738 118.625 -0.887 25069 9560 1 17 . 1 1 72 72 PHE C C 72 177.390 177.390 178.011 -0.621 25069 9561 1 17 . 1 1 72 72 PHE CA C 72 63.026 63.026 59.523 3.503 25069 9562 1 17 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.133 1.095 25069 9563 1 17 . 1 1 72 72 PHE H H 72 8.993 8.993 8.369 0.624 25069 9564 1 17 . 1 1 73 73 GLN N N 73 120.479 120.479 118.910 1.569 25069 9565 1 17 . 1 1 73 73 GLN HA H 73 3.804 3.804 4.089 -0.285 25069 9566 1 17 . 1 1 73 73 GLN C C 73 178.583 178.583 178.159 0.424 25069 9567 1 17 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.610 0.450 25069 9568 1 17 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.508 -0.680 25069 9569 1 17 . 1 1 73 73 GLN H H 73 8.246 8.246 9.343 -1.097 25069 9570 1 17 . 1 1 74 74 GLU N N 74 120.179 120.179 119.594 0.585 25069 9571 1 17 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.054 -0.210 25069 9572 1 17 . 1 1 74 74 GLU C C 74 180.584 180.584 179.247 1.337 25069 9573 1 17 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.246 -0.233 25069 9574 1 17 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.594 0.812 25069 9575 1 17 . 1 1 74 74 GLU H H 74 8.782 8.782 8.579 0.203 25069 9576 1 17 . 1 1 75 75 TYR N N 75 122.109 122.109 120.199 1.910 25069 9577 1 17 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.328 -0.316 25069 9578 1 17 . 1 1 75 75 TYR C C 75 175.383 175.383 177.158 -1.775 25069 9579 1 17 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.602 -0.379 25069 9580 1 17 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.666 0.124 25069 9581 1 17 . 1 1 75 75 TYR H H 75 8.619 8.619 8.587 0.032 25069 9582 1 17 . 1 1 76 76 SER N N 76 117.790 117.790 116.367 1.423 25069 9583 1 17 . 1 1 76 76 SER HA H 76 3.326 3.326 4.298 -0.972 25069 9584 1 17 . 1 1 76 76 SER C C 76 176.930 176.930 176.969 -0.039 25069 9585 1 17 . 1 1 76 76 SER CA C 76 62.377 62.377 61.750 0.627 25069 9586 1 17 . 1 1 76 76 SER CB C 76 62.573 62.573 62.860 -0.287 25069 9587 1 17 . 1 1 76 76 SER H H 76 8.654 8.654 8.138 0.516 25069 9588 1 17 . 1 1 77 77 VAL N N 77 123.033 123.033 123.051 -0.018 25069 9589 1 17 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.782 -0.203 25069 9590 1 17 . 1 1 77 77 VAL C C 77 178.969 178.969 177.865 1.104 25069 9591 1 17 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.204 -0.108 25069 9592 1 17 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.574 0.403 25069 9593 1 17 . 1 1 77 77 VAL H H 77 7.844 7.844 8.533 -0.689 25069 9594 1 17 . 1 1 78 78 PHE N N 78 121.473 121.473 121.945 -0.472 25069 9595 1 17 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.109 0.239 25069 9596 1 17 . 1 1 78 78 PHE C C 78 177.726 177.726 177.831 -0.105 25069 9597 1 17 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.261 -0.932 25069 9598 1 17 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.428 0.116 25069 9599 1 17 . 1 1 78 78 PHE H H 78 7.439 7.439 7.586 -0.147 25069 9600 1 17 . 1 1 79 79 LEU N N 79 118.574 118.574 118.821 -0.247 25069 9601 1 17 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.224 0.006 25069 9602 1 17 . 1 1 79 79 LEU C C 79 178.837 178.837 178.815 0.022 25069 9603 1 17 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.966 -0.236 25069 9604 1 17 . 1 1 79 79 LEU CB C 79 40.452 40.452 41.163 -0.711 25069 9605 1 17 . 1 1 79 79 LEU H H 79 8.298 8.298 8.189 0.109 25069 9606 1 17 . 1 1 80 80 SER N N 80 112.827 112.827 114.715 -1.888 25069 9607 1 17 . 1 1 80 80 SER HA H 80 3.978 3.978 4.088 -0.110 25069 9608 1 17 . 1 1 80 80 SER C C 80 175.796 175.796 176.998 -1.202 25069 9609 1 17 . 1 1 80 80 SER CA C 80 62.278 62.278 61.763 0.515 25069 9610 1 17 . 1 1 80 80 SER CB C 80 63.148 63.148 62.841 0.307 25069 9611 1 17 . 1 1 80 80 SER H H 80 7.728 7.728 8.405 -0.677 25069 9612 1 17 . 1 1 81 81 SER N N 81 117.584 117.584 119.422 -1.838 25069 9613 1 17 . 1 1 81 81 SER HA H 81 4.151 4.151 4.151 -0.000 25069 9614 1 17 . 1 1 81 81 SER C C 81 176.761 176.761 176.730 0.031 25069 9615 1 17 . 1 1 81 81 SER CA C 81 61.673 61.673 61.397 0.276 25069 9616 1 17 . 1 1 81 81 SER CB C 81 62.441 62.441 62.500 -0.059 25069 9617 1 17 . 1 1 81 81 SER H H 81 7.703 7.703 8.303 -0.600 25069 9618 1 17 . 1 1 82 82 ILE N N 82 122.194 122.194 123.204 -1.010 25069 9619 1 17 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.624 0.024 25069 9620 1 17 . 1 1 82 82 ILE C C 82 178.743 178.743 177.506 1.237 25069 9621 1 17 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.219 -1.069 25069 9622 1 17 . 1 1 82 82 ILE CB C 82 36.725 36.725 36.988 -0.263 25069 9623 1 17 . 1 1 82 82 ILE H H 82 7.490 7.490 7.982 -0.492 25069 9624 1 17 . 1 1 83 83 ALA N N 83 123.288 123.288 121.802 1.486 25069 9625 1 17 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.969 -0.155 25069 9626 1 17 . 1 1 83 83 ALA C C 83 179.019 179.019 180.014 -0.995 25069 9627 1 17 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.049 0.478 25069 9628 1 17 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.255 -0.606 25069 9629 1 17 . 1 1 83 83 ALA H H 83 8.190 8.190 7.695 0.495 25069 9630 1 17 . 1 1 84 84 MET N N 84 114.549 114.549 118.312 -3.763 25069 9631 1 17 . 1 1 84 84 MET HA H 84 4.660 4.660 4.023 0.637 25069 9632 1 17 . 1 1 84 84 MET C C 84 174.776 174.776 178.458 -3.682 25069 9633 1 17 . 1 1 84 84 MET CA C 84 58.603 58.603 59.482 -0.879 25069 9634 1 17 . 1 1 84 84 MET CB C 84 37.147 37.147 32.662 4.485 25069 9635 1 17 . 1 1 84 84 MET H H 84 8.060 8.060 8.357 -0.297 25069 9636 1 17 . 1 1 85 85 MET N N 85 114.638 114.638 118.599 -3.961 25069 9637 1 17 . 1 1 85 85 MET HA H 85 4.079 4.079 4.222 -0.143 25069 9638 1 17 . 1 1 85 85 MET C C 85 178.153 178.153 179.105 -0.952 25069 9639 1 17 . 1 1 85 85 MET CA C 85 58.444 58.444 57.032 1.412 25069 9640 1 17 . 1 1 85 85 MET CB C 85 32.523 32.523 31.043 1.480 25069 9641 1 17 . 1 1 85 85 MET H H 85 8.097 8.097 8.568 -0.471 25069 9642 1 17 . 1 1 86 86 SER N N 86 114.719 114.719 114.632 0.087 25069 9643 1 17 . 1 1 86 86 SER HA H 86 4.184 4.184 4.268 -0.084 25069 9644 1 17 . 1 1 86 86 SER C C 86 176.656 176.656 176.785 -0.129 25069 9645 1 17 . 1 1 86 86 SER CA C 86 60.867 60.867 61.484 -0.617 25069 9646 1 17 . 1 1 86 86 SER CB C 86 63.250 63.250 63.083 0.167 25069 9647 1 17 . 1 1 86 86 SER H H 86 8.119 8.119 8.773 -0.654 25069 9648 1 17 . 1 1 87 87 ASN N N 87 119.754 119.754 119.674 0.080 25069 9649 1 17 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.499 0.079 25069 9650 1 17 . 1 1 87 87 ASN C C 87 176.062 176.062 177.496 -1.434 25069 9651 1 17 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.227 -0.051 25069 9652 1 17 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.711 0.037 25069 9653 1 17 . 1 1 87 87 ASN H H 87 8.328 8.328 7.784 0.544 25069 9654 1 17 . 1 1 88 88 GLU N N 88 117.928 117.928 119.637 -1.709 25069 9655 1 17 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.068 -0.329 25069 9656 1 17 . 1 1 88 88 GLU C C 88 177.870 177.870 179.152 -1.282 25069 9657 1 17 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.010 -0.078 25069 9658 1 17 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.407 -0.126 25069 9659 1 17 . 1 1 88 88 GLU H H 88 7.747 7.747 8.714 -0.967 25069 9660 1 17 . 1 1 89 89 PHE N N 89 116.133 116.133 119.937 -3.804 25069 9661 1 17 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.352 -0.183 25069 9662 1 17 . 1 1 89 89 PHE C C 89 176.404 176.404 176.696 -0.292 25069 9663 1 17 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.086 -0.030 25069 9664 1 17 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.279 -0.437 25069 9665 1 17 . 1 1 89 89 PHE H H 89 7.465 7.465 8.152 -0.687 25069 9666 1 17 . 1 1 90 90 PHE N N 90 119.130 119.130 120.476 -1.346 25069 9667 1 17 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.041 0.014 25069 9668 1 17 . 1 1 90 90 PHE C C 90 176.420 176.420 176.476 -0.056 25069 9669 1 17 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.870 -1.100 25069 9670 1 17 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.332 -0.019 25069 9671 1 17 . 1 1 90 90 PHE H H 90 7.537 7.537 7.418 0.119 25069 9672 1 17 . 1 1 91 91 GLU N N 91 118.971 118.971 117.210 1.761 25069 9673 1 17 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.101 -0.361 25069 9674 1 17 . 1 1 91 91 GLU C C 91 176.491 176.491 177.194 -0.703 25069 9675 1 17 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.050 0.181 25069 9676 1 17 . 1 1 91 91 GLU CB C 91 30.048 30.048 29.944 0.104 25069 9677 1 17 . 1 1 91 91 GLU H H 91 7.938 7.938 7.948 -0.010 25069 9678 1 17 . 1 1 92 92 GLY N N 92 105.912 105.912 106.000 -0.088 25069 9679 1 17 . 1 1 92 92 GLY C C 92 173.288 173.288 173.841 -0.553 25069 9680 1 17 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.133 -0.069 25069 9681 1 17 . 1 1 92 92 GLY H H 92 7.201 7.201 7.642 -0.441 25069 9682 1 17 . 1 1 93 93 PHE N N 93 118.877 118.877 115.172 3.705 25069 9683 1 17 . 1 1 93 93 PHE C C 93 174.128 174.128 172.830 1.298 25069 9684 1 17 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.205 2.004 25069 9685 1 17 . 1 1 93 93 PHE CB C 93 38.770 38.770 39.499 -0.729 25069 9686 1 17 . 1 1 93 93 PHE H H 93 7.844 7.844 7.282 0.562 25069 9687 1 17 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.633 -0.427 25069 9688 1 17 . 1 1 94 94 PRO C C 94 176.669 176.669 175.720 0.949 25069 9689 1 17 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.027 0.674 25069 9690 1 17 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.648 1.188 25069 9691 1 17 . 1 1 95 95 ASP N N 95 118.031 118.031 123.453 -5.422 25069 9692 1 17 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.602 -0.195 25069 9693 1 17 . 1 1 95 95 ASP C C 95 176.139 176.139 176.854 -0.715 25069 9694 1 17 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.269 0.212 25069 9695 1 17 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.434 -0.413 25069 9696 1 17 . 1 1 95 95 ASP H H 95 8.144 8.144 8.823 -0.679 25069 9697 1 17 . 1 1 96 96 LYS N N 96 119.472 119.472 118.231 1.241 25069 9698 1 17 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.250 -0.113 25069 9699 1 17 . 1 1 96 96 LYS C C 96 176.212 176.212 177.100 -0.888 25069 9700 1 17 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.688 -1.510 25069 9701 1 17 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.778 0.006 25069 9702 1 17 . 1 1 96 96 LYS H H 96 7.980 7.980 7.478 0.502 25069 9703 1 17 . 1 1 97 97 GLN N N 97 120.185 120.185 118.333 1.852 25069 9704 1 17 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.564 -0.143 25069 9705 1 17 . 1 1 97 97 GLN C C 97 173.700 173.700 174.845 -1.145 25069 9706 1 17 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.060 0.743 25069 9707 1 17 . 1 1 97 97 GLN CB C 97 28.732 28.732 27.896 0.836 25069 9708 1 17 . 1 1 97 97 GLN H H 97 8.007 8.007 7.773 0.234 25069 9709 1 17 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.797 -0.554 25069 9710 1 17 . 1 1 98 98 PRO C C 98 176.605 176.605 175.842 0.763 25069 9711 1 17 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.688 0.326 25069 9712 1 17 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.068 0.869 25069 9713 1 17 . 1 1 99 99 ARG N N 99 120.677 120.677 120.036 0.641 25069 9714 1 17 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.282 -0.137 25069 9715 1 17 . 1 1 99 99 ARG C C 99 176.053 176.053 177.641 -1.588 25069 9716 1 17 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.340 -1.369 25069 9717 1 17 . 1 1 99 99 ARG CB C 99 30.894 30.894 30.230 0.664 25069 9718 1 17 . 1 1 99 99 ARG H H 99 8.254 8.254 7.890 0.364 25069 9719 1 17 . 1 1 100 100 LYS N N 100 122.775 122.775 119.257 3.518 25069 9720 1 17 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.321 -0.177 25069 9721 1 17 . 1 1 100 100 LYS C C 100 175.376 175.376 176.473 -1.097 25069 9722 1 17 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.348 0.048 25069 9723 1 17 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.912 0.377 25069 9724 1 17 . 1 1 100 100 LYS H H 100 8.230 8.230 8.363 -0.133 25069 9725 1 18 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.584 -0.375 25069 9726 1 18 . 1 1 2 2 ALA C C 2 173.983 173.983 177.643 -3.660 25069 9727 1 18 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.450 0.152 25069 9728 1 18 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.292 2.584 25069 9729 1 18 . 1 1 3 3 SER N N 3 121.630 121.630 119.504 2.126 25069 9730 1 18 . 1 1 3 3 SER C C 3 172.689 172.689 173.680 -0.991 25069 9731 1 18 . 1 1 3 3 SER CA C 3 56.943 56.943 59.282 -2.339 25069 9732 1 18 . 1 1 3 3 SER CB C 3 63.102 63.102 61.333 1.769 25069 9733 1 18 . 1 1 3 3 SER H H 3 9.907 9.907 7.958 1.949 25069 9734 1 18 . 1 1 4 4 PRO C C 4 179.695 179.695 177.988 1.707 25069 9735 1 18 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.617 0.117 25069 9736 1 18 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.434 0.346 25069 9737 1 18 . 1 1 5 5 LEU N N 5 118.522 118.522 118.618 -0.096 25069 9738 1 18 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.979 0.052 25069 9739 1 18 . 1 1 5 5 LEU C C 5 177.968 177.968 178.401 -0.433 25069 9740 1 18 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.204 -0.556 25069 9741 1 18 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.801 0.834 25069 9742 1 18 . 1 1 5 5 LEU H H 5 8.277 8.277 7.580 0.697 25069 9743 1 18 . 1 1 6 6 GLU N N 6 118.997 118.997 118.090 0.907 25069 9744 1 18 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.045 -0.349 25069 9745 1 18 . 1 1 6 6 GLU C C 6 180.177 180.177 179.387 0.790 25069 9746 1 18 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.236 1.103 25069 9747 1 18 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.018 0.816 25069 9748 1 18 . 1 1 6 6 GLU H H 6 8.130 8.130 7.961 0.169 25069 9749 1 18 . 1 1 7 7 LYS N N 7 117.838 117.838 118.180 -0.342 25069 9750 1 18 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.241 -0.245 25069 9751 1 18 . 1 1 7 7 LYS C C 7 178.764 178.764 178.720 0.044 25069 9752 1 18 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.503 1.853 25069 9753 1 18 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.750 0.409 25069 9754 1 18 . 1 1 7 7 LYS H H 7 8.341 8.341 7.692 0.649 25069 9755 1 18 . 1 1 8 8 ALA N N 8 122.327 122.327 122.512 -0.185 25069 9756 1 18 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.224 -0.245 25069 9757 1 18 . 1 1 8 8 ALA C C 8 179.482 179.482 179.401 0.081 25069 9758 1 18 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.505 0.663 25069 9759 1 18 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.032 0.262 25069 9760 1 18 . 1 1 8 8 ALA H H 8 8.082 8.082 8.079 0.003 25069 9761 1 18 . 1 1 9 9 LEU N N 9 118.212 118.212 118.256 -0.044 25069 9762 1 18 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.901 0.046 25069 9763 1 18 . 1 1 9 9 LEU C C 9 178.844 178.844 178.644 0.200 25069 9764 1 18 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.593 0.616 25069 9765 1 18 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.022 0.594 25069 9766 1 18 . 1 1 9 9 LEU H H 9 8.042 8.042 7.832 0.210 25069 9767 1 18 . 1 1 10 10 ASP N N 10 117.997 117.997 119.145 -1.148 25069 9768 1 18 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.417 -0.030 25069 9769 1 18 . 1 1 10 10 ASP C C 10 179.582 179.582 178.352 1.230 25069 9770 1 18 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.197 0.573 25069 9771 1 18 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.252 -0.258 25069 9772 1 18 . 1 1 10 10 ASP H H 10 7.587 7.587 7.620 -0.033 25069 9773 1 18 . 1 1 11 11 VAL N N 11 120.702 120.702 119.895 0.807 25069 9774 1 18 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.901 -0.164 25069 9775 1 18 . 1 1 11 11 VAL C C 11 180.061 180.061 178.347 1.714 25069 9776 1 18 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.480 0.664 25069 9777 1 18 . 1 1 11 11 VAL CB C 11 31.626 31.626 30.936 0.690 25069 9778 1 18 . 1 1 11 11 VAL H H 11 8.099 8.099 7.933 0.166 25069 9779 1 18 . 1 1 12 12 MET N N 12 123.185 123.185 120.599 2.586 25069 9780 1 18 . 1 1 12 12 MET HA H 12 3.921 3.921 4.429 -0.508 25069 9781 1 18 . 1 1 12 12 MET C C 12 178.871 178.871 177.839 1.032 25069 9782 1 18 . 1 1 12 12 MET CA C 12 60.784 60.784 58.883 1.901 25069 9783 1 18 . 1 1 12 12 MET CB C 12 32.579 32.579 31.317 1.262 25069 9784 1 18 . 1 1 12 12 MET H H 12 8.454 8.454 7.887 0.567 25069 9785 1 18 . 1 1 13 13 VAL N N 13 118.900 118.900 119.608 -0.708 25069 9786 1 18 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.909 0.016 25069 9787 1 18 . 1 1 13 13 VAL C C 13 177.712 177.712 178.313 -0.601 25069 9788 1 18 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.353 -0.673 25069 9789 1 18 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.287 1.960 25069 9790 1 18 . 1 1 13 13 VAL H H 13 8.117 8.117 7.599 0.518 25069 9791 1 18 . 1 1 14 14 SER N N 14 114.675 114.675 115.828 -1.153 25069 9792 1 18 . 1 1 14 14 SER HA H 14 3.966 3.966 4.761 -0.795 25069 9793 1 18 . 1 1 14 14 SER C C 14 178.306 178.306 177.057 1.249 25069 9794 1 18 . 1 1 14 14 SER CA C 14 61.937 61.937 61.551 0.386 25069 9795 1 18 . 1 1 14 14 SER CB C 14 62.474 62.474 62.815 -0.341 25069 9796 1 18 . 1 1 14 14 SER H H 14 8.935 8.935 7.761 1.174 25069 9797 1 18 . 1 1 15 15 THR N N 15 117.582 117.582 120.479 -2.897 25069 9798 1 18 . 1 1 15 15 THR HA H 15 4.190 4.190 4.126 0.064 25069 9799 1 18 . 1 1 15 15 THR C C 15 174.459 174.459 176.219 -1.760 25069 9800 1 18 . 1 1 15 15 THR CA C 15 67.683 67.683 67.168 0.515 25069 9801 1 18 . 1 1 15 15 THR CB C 15 68.187 68.187 68.734 -0.547 25069 9802 1 18 . 1 1 15 15 THR H H 15 8.543 8.543 8.526 0.017 25069 9803 1 18 . 1 1 16 16 PHE N N 16 118.606 118.606 122.320 -3.714 25069 9804 1 18 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.905 -0.536 25069 9805 1 18 . 1 1 16 16 PHE C C 16 176.480 176.480 177.724 -1.244 25069 9806 1 18 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.906 0.576 25069 9807 1 18 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.895 0.341 25069 9808 1 18 . 1 1 16 16 PHE H H 16 6.809 6.809 8.481 -1.672 25069 9809 1 18 . 1 1 17 17 HIS N N 17 114.536 114.536 119.103 -4.567 25069 9810 1 18 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.478 0.248 25069 9811 1 18 . 1 1 17 17 HIS C C 17 177.124 177.124 177.711 -0.587 25069 9812 1 18 . 1 1 17 17 HIS CA C 17 57.727 57.727 59.850 -2.123 25069 9813 1 18 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.863 0.285 25069 9814 1 18 . 1 1 17 17 HIS H H 17 6.955 6.955 8.129 -1.174 25069 9815 1 18 . 1 1 18 18 LYS N N 18 120.739 120.739 120.328 0.411 25069 9816 1 18 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.972 -0.254 25069 9817 1 18 . 1 1 18 18 LYS C C 18 177.006 177.006 178.738 -1.732 25069 9818 1 18 . 1 1 18 18 LYS CA C 18 58.868 58.868 59.337 -0.469 25069 9819 1 18 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.408 -0.294 25069 9820 1 18 . 1 1 18 18 LYS H H 18 7.820 7.820 7.838 -0.018 25069 9821 1 18 . 1 1 19 19 TYR N N 19 112.545 112.545 117.073 -4.528 25069 9822 1 18 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.254 -0.115 25069 9823 1 18 . 1 1 19 19 TYR C C 19 176.218 176.218 177.938 -1.720 25069 9824 1 18 . 1 1 19 19 TYR CA C 19 59.898 59.898 61.063 -1.165 25069 9825 1 18 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.631 1.826 25069 9826 1 18 . 1 1 19 19 TYR H H 19 6.730 6.730 7.676 -0.946 25069 9827 1 18 . 1 1 20 20 SER N N 20 113.404 113.404 115.361 -1.957 25069 9828 1 18 . 1 1 20 20 SER HA H 20 3.385 3.385 3.955 -0.570 25069 9829 1 18 . 1 1 20 20 SER C C 20 176.961 176.961 175.854 1.107 25069 9830 1 18 . 1 1 20 20 SER CA C 20 61.866 61.866 61.381 0.485 25069 9831 1 18 . 1 1 20 20 SER CB C 20 60.904 60.904 62.728 -1.824 25069 9832 1 18 . 1 1 20 20 SER H H 20 8.493 8.493 8.017 0.476 25069 9833 1 18 . 1 1 21 21 GLY N N 21 109.001 109.001 106.788 2.213 25069 9834 1 18 . 1 1 21 21 GLY C C 21 173.502 173.502 174.316 -0.814 25069 9835 1 18 . 1 1 21 21 GLY CA C 21 45.539 45.539 45.042 0.497 25069 9836 1 18 . 1 1 21 21 GLY H H 21 7.512 7.512 7.817 -0.305 25069 9837 1 18 . 1 1 22 22 LYS N N 22 120.754 120.754 119.031 1.723 25069 9838 1 18 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.169 -0.374 25069 9839 1 18 . 1 1 22 22 LYS C C 22 177.354 177.354 176.682 0.672 25069 9840 1 18 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.586 2.421 25069 9841 1 18 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.240 -0.257 25069 9842 1 18 . 1 1 22 22 LYS H H 22 6.958 6.958 7.447 -0.489 25069 9843 1 18 . 1 1 23 23 GLU N N 23 115.305 115.305 117.239 -1.934 25069 9844 1 18 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.361 0.097 25069 9845 1 18 . 1 1 23 23 GLU C C 23 176.733 176.733 175.345 1.388 25069 9846 1 18 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.500 -1.065 25069 9847 1 18 . 1 1 23 23 GLU CB C 23 34.354 34.354 32.038 2.316 25069 9848 1 18 . 1 1 23 23 GLU H H 23 9.425 9.425 7.688 1.737 25069 9849 1 18 . 1 1 24 24 GLY N N 24 112.542 112.542 114.878 -2.336 25069 9850 1 18 . 1 1 24 24 GLY C C 24 173.486 173.486 173.534 -0.048 25069 9851 1 18 . 1 1 24 24 GLY CA C 24 46.342 46.342 44.608 1.734 25069 9852 1 18 . 1 1 24 24 GLY H H 24 8.879 8.879 8.433 0.446 25069 9853 1 18 . 1 1 25 25 ASP N N 25 125.117 125.117 124.476 0.641 25069 9854 1 18 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.803 -0.520 25069 9855 1 18 . 1 1 25 25 ASP C C 25 179.177 179.177 176.663 2.514 25069 9856 1 18 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.543 1.571 25069 9857 1 18 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.169 -0.433 25069 9858 1 18 . 1 1 25 25 ASP H H 25 8.423 8.423 8.501 -0.078 25069 9859 1 18 . 1 1 26 26 LYS N N 26 131.175 131.175 122.180 8.995 25069 9860 1 18 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.078 0.118 25069 9861 1 18 . 1 1 26 26 LYS C C 26 176.638 176.638 175.432 1.206 25069 9862 1 18 . 1 1 26 26 LYS CA C 26 57.968 57.968 57.853 0.115 25069 9863 1 18 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.049 -0.826 25069 9864 1 18 . 1 1 26 26 LYS H H 26 9.247 9.247 8.443 0.804 25069 9865 1 18 . 1 1 27 27 PHE N N 27 118.593 118.593 113.195 5.398 25069 9866 1 18 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.962 -0.263 25069 9867 1 18 . 1 1 27 27 PHE C C 27 173.452 173.452 174.491 -1.039 25069 9868 1 18 . 1 1 27 27 PHE CA C 27 56.032 56.032 56.672 -0.640 25069 9869 1 18 . 1 1 27 27 PHE CB C 27 39.091 39.091 39.218 -0.126 25069 9870 1 18 . 1 1 27 27 PHE H H 27 9.335 9.335 7.756 1.579 25069 9871 1 18 . 1 1 28 28 LYS N N 28 113.854 113.854 119.373 -5.519 25069 9872 1 18 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.230 -0.226 25069 9873 1 18 . 1 1 28 28 LYS C C 28 174.468 174.468 175.239 -0.771 25069 9874 1 18 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.308 -0.021 25069 9875 1 18 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.163 1.855 25069 9876 1 18 . 1 1 28 28 LYS H H 28 6.985 6.985 7.534 -0.549 25069 9877 1 18 . 1 1 29 29 LEU N N 29 124.858 124.858 126.032 -1.174 25069 9878 1 18 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.428 0.585 25069 9879 1 18 . 1 1 29 29 LEU C C 29 175.791 175.791 175.879 -0.088 25069 9880 1 18 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.706 -1.107 25069 9881 1 18 . 1 1 29 29 LEU CB C 29 43.557 43.557 41.556 2.001 25069 9882 1 18 . 1 1 29 29 LEU H H 29 9.454 9.454 9.032 0.422 25069 9883 1 18 . 1 1 30 30 ASN N N 30 122.896 122.896 122.069 0.827 25069 9884 1 18 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.068 -0.490 25069 9885 1 18 . 1 1 30 30 ASN C C 30 174.969 174.969 176.520 -1.551 25069 9886 1 18 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.051 -0.953 25069 9887 1 18 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.655 -2.297 25069 9888 1 18 . 1 1 30 30 ASN H H 30 9.560 9.560 8.091 1.469 25069 9889 1 18 . 1 1 31 31 LYS N N 31 115.136 115.136 120.262 -5.126 25069 9890 1 18 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.807 0.063 25069 9891 1 18 . 1 1 31 31 LYS C C 31 177.992 177.992 178.525 -0.533 25069 9892 1 18 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.617 0.418 25069 9893 1 18 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.960 0.245 25069 9894 1 18 . 1 1 31 31 LYS H H 31 8.204 8.204 8.739 -0.535 25069 9895 1 18 . 1 1 32 32 SER N N 32 113.755 113.755 115.312 -1.557 25069 9896 1 18 . 1 1 32 32 SER HA H 32 3.939 3.939 3.962 -0.023 25069 9897 1 18 . 1 1 32 32 SER C C 32 177.484 177.484 176.621 0.863 25069 9898 1 18 . 1 1 32 32 SER CA C 32 61.374 61.374 61.717 -0.343 25069 9899 1 18 . 1 1 32 32 SER CB C 32 62.733 62.733 62.733 0.000 25069 9900 1 18 . 1 1 32 32 SER H H 32 7.575 7.575 8.088 -0.513 25069 9901 1 18 . 1 1 33 33 GLU N N 33 122.657 122.657 121.833 0.824 25069 9902 1 18 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.112 -0.199 25069 9903 1 18 . 1 1 33 33 GLU C C 33 178.560 178.560 178.870 -0.310 25069 9904 1 18 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.378 0.464 25069 9905 1 18 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.288 1.911 25069 9906 1 18 . 1 1 33 33 GLU H H 33 8.608 8.608 7.619 0.989 25069 9907 1 18 . 1 1 34 34 LEU N N 34 117.375 117.375 122.340 -4.965 25069 9908 1 18 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.735 0.070 25069 9909 1 18 . 1 1 34 34 LEU C C 34 177.693 177.693 178.108 -0.415 25069 9910 1 18 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.527 -0.751 25069 9911 1 18 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.723 -0.026 25069 9912 1 18 . 1 1 34 34 LEU H H 34 8.859 8.859 8.745 0.114 25069 9913 1 18 . 1 1 35 35 LYS N N 35 117.418 117.418 119.022 -1.604 25069 9914 1 18 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.727 -0.201 25069 9915 1 18 . 1 1 35 35 LYS C C 35 179.129 179.129 178.822 0.307 25069 9916 1 18 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.567 -0.401 25069 9917 1 18 . 1 1 35 35 LYS CB C 35 31.759 31.759 32.061 -0.302 25069 9918 1 18 . 1 1 35 35 LYS H H 35 7.901 7.901 8.276 -0.375 25069 9919 1 18 . 1 1 36 36 GLU N N 36 120.491 120.491 119.401 1.090 25069 9920 1 18 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.046 -0.327 25069 9921 1 18 . 1 1 36 36 GLU C C 36 176.354 176.354 179.237 -2.883 25069 9922 1 18 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.077 0.892 25069 9923 1 18 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.724 -0.331 25069 9924 1 18 . 1 1 36 36 GLU H H 36 7.619 7.619 7.614 0.005 25069 9925 1 18 . 1 1 37 37 LEU N N 37 120.058 120.058 121.152 -1.094 25069 9926 1 18 . 1 1 37 37 LEU HA H 37 2.425 2.425 2.769 -0.344 25069 9927 1 18 . 1 1 37 37 LEU C C 37 179.412 179.412 178.548 0.864 25069 9928 1 18 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.568 1.869 25069 9929 1 18 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.481 0.323 25069 9930 1 18 . 1 1 37 37 LEU H H 37 7.762 7.762 8.021 -0.259 25069 9931 1 18 . 1 1 38 38 LEU N N 38 116.987 116.987 119.339 -2.352 25069 9932 1 18 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.077 -0.412 25069 9933 1 18 . 1 1 38 38 LEU C C 38 178.279 178.279 179.638 -1.359 25069 9934 1 18 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.386 0.292 25069 9935 1 18 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.699 1.615 25069 9936 1 18 . 1 1 38 38 LEU H H 38 8.532 8.532 8.503 0.029 25069 9937 1 18 . 1 1 39 39 THR N N 39 108.650 108.650 111.590 -2.940 25069 9938 1 18 . 1 1 39 39 THR HA H 39 3.693 3.693 4.003 -0.310 25069 9939 1 18 . 1 1 39 39 THR C C 39 176.231 176.231 176.773 -0.542 25069 9940 1 18 . 1 1 39 39 THR CA C 39 65.997 65.997 65.982 0.015 25069 9941 1 18 . 1 1 39 39 THR CB C 39 69.618 69.618 68.610 1.008 25069 9942 1 18 . 1 1 39 39 THR H H 39 7.883 7.883 8.591 -0.708 25069 9943 1 18 . 1 1 40 40 ARG N N 40 115.482 115.482 119.449 -3.967 25069 9944 1 18 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.307 -0.155 25069 9945 1 18 . 1 1 40 40 ARG C C 40 178.520 178.520 178.453 0.067 25069 9946 1 18 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.215 -0.180 25069 9947 1 18 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.905 0.340 25069 9948 1 18 . 1 1 40 40 ARG H H 40 8.015 8.015 7.945 0.070 25069 9949 1 18 . 1 1 41 41 GLU N N 41 112.106 112.106 116.983 -4.877 25069 9950 1 18 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.376 0.458 25069 9951 1 18 . 1 1 41 41 GLU C C 41 177.856 177.856 177.069 0.787 25069 9952 1 18 . 1 1 41 41 GLU CA C 41 55.198 55.198 57.032 -1.834 25069 9953 1 18 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.637 -0.316 25069 9954 1 18 . 1 1 41 41 GLU H H 41 8.463 8.463 8.385 0.078 25069 9955 1 18 . 1 1 42 42 LEU N N 42 119.287 119.287 120.930 -1.643 25069 9956 1 18 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.956 0.096 25069 9957 1 18 . 1 1 42 42 LEU C C 42 174.457 174.457 174.561 -0.104 25069 9958 1 18 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.391 0.447 25069 9959 1 18 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.081 2.002 25069 9960 1 18 . 1 1 42 42 LEU H H 42 7.688 7.688 7.597 0.091 25069 9961 1 18 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.336 -0.132 25069 9962 1 18 . 1 1 43 43 PRO C C 43 179.969 179.969 178.828 1.141 25069 9963 1 18 . 1 1 43 43 PRO CA C 43 65.689 65.689 66.103 -0.414 25069 9964 1 18 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.949 -1.122 25069 9965 1 18 . 1 1 44 44 SER N N 44 114.352 114.352 113.547 0.805 25069 9966 1 18 . 1 1 44 44 SER HA H 44 4.093 4.093 4.204 -0.111 25069 9967 1 18 . 1 1 44 44 SER C C 44 175.709 175.709 176.413 -0.704 25069 9968 1 18 . 1 1 44 44 SER CA C 44 60.793 60.793 61.399 -0.606 25069 9969 1 18 . 1 1 44 44 SER CB C 44 62.400 62.400 62.873 -0.473 25069 9970 1 18 . 1 1 44 44 SER H H 44 8.674 8.674 8.413 0.261 25069 9971 1 18 . 1 1 45 45 PHE N N 45 121.558 121.558 121.127 0.431 25069 9972 1 18 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.400 -0.248 25069 9973 1 18 . 1 1 45 45 PHE C C 45 176.441 176.441 176.576 -0.135 25069 9974 1 18 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.860 -0.526 25069 9975 1 18 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.151 0.638 25069 9976 1 18 . 1 1 45 45 PHE H H 45 7.952 7.952 8.236 -0.284 25069 9977 1 18 . 1 1 46 46 LEU N N 46 117.590 117.590 117.231 0.359 25069 9978 1 18 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.472 -0.636 25069 9979 1 18 . 1 1 46 46 LEU C C 46 178.236 178.236 179.223 -0.987 25069 9980 1 18 . 1 1 46 46 LEU CA C 46 56.144 56.144 56.285 -0.141 25069 9981 1 18 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.948 -0.432 25069 9982 1 18 . 1 1 46 46 LEU H H 46 7.906 7.906 8.488 -0.582 25069 9983 1 18 . 1 1 47 47 GLY N N 47 104.817 104.817 108.034 -3.217 25069 9984 1 18 . 1 1 47 47 GLY C C 47 174.665 174.665 175.245 -0.580 25069 9985 1 18 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.721 -0.736 25069 9986 1 18 . 1 1 47 47 GLY H H 47 7.646 7.646 7.801 -0.155 25069 9987 1 18 . 1 1 48 48 LYS N N 48 120.422 120.422 119.239 1.183 25069 9988 1 18 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.133 0.019 25069 9989 1 18 . 1 1 48 48 LYS C C 48 177.029 177.029 176.728 0.301 25069 9990 1 18 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.254 -0.774 25069 9991 1 18 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.879 -0.627 25069 9992 1 18 . 1 1 48 48 LYS H H 48 8.400 8.400 7.562 0.838 25069 9993 1 18 . 1 1 49 49 ARG N N 49 119.815 119.815 117.332 2.483 25069 9994 1 18 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.445 -0.142 25069 9995 1 18 . 1 1 49 49 ARG C C 49 175.183 175.183 175.266 -0.083 25069 9996 1 18 . 1 1 49 49 ARG CA C 49 55.699 55.699 56.473 -0.774 25069 9997 1 18 . 1 1 49 49 ARG CB C 49 29.507 29.507 32.259 -2.752 25069 9998 1 18 . 1 1 49 49 ARG H H 49 7.801 7.801 8.029 -0.228 25069 9999 1 18 . 1 1 50 50 THR N N 50 110.525 110.525 114.703 -4.178 25069 10000 1 18 . 1 1 50 50 THR HA H 50 4.091 4.091 4.027 0.064 25069 10001 1 18 . 1 1 50 50 THR C C 50 174.108 174.108 173.735 0.373 25069 10002 1 18 . 1 1 50 50 THR CA C 50 61.579 61.579 62.858 -1.279 25069 10003 1 18 . 1 1 50 50 THR CB C 50 69.136 69.136 67.536 1.600 25069 10004 1 18 . 1 1 50 50 THR H H 50 7.808 7.808 8.335 -0.527 25069 10005 1 18 . 1 1 51 51 ASP N N 51 121.073 121.073 120.465 0.608 25069 10006 1 18 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.813 -0.253 25069 10007 1 18 . 1 1 51 51 ASP C C 51 175.715 175.715 176.652 -0.937 25069 10008 1 18 . 1 1 51 51 ASP CA C 51 53.054 53.054 52.005 1.049 25069 10009 1 18 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.933 -2.122 25069 10010 1 18 . 1 1 51 51 ASP H H 51 7.924 7.924 7.888 0.036 25069 10011 1 18 . 1 1 52 52 GLU N N 52 120.418 120.418 122.126 -1.708 25069 10012 1 18 . 1 1 52 52 GLU HA H 52 4.042 4.042 3.439 0.603 25069 10013 1 18 . 1 1 52 52 GLU C C 52 178.726 178.726 177.452 1.274 25069 10014 1 18 . 1 1 52 52 GLU CA C 52 59.560 59.560 59.810 -0.250 25069 10015 1 18 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.527 -0.143 25069 10016 1 18 . 1 1 52 52 GLU H H 52 8.515 8.515 8.771 -0.256 25069 10017 1 18 . 1 1 53 53 ALA N N 53 120.807 120.807 120.847 -0.040 25069 10018 1 18 . 1 1 53 53 ALA HA H 53 4.036 4.036 3.845 0.191 25069 10019 1 18 . 1 1 53 53 ALA C C 53 180.416 180.416 179.157 1.259 25069 10020 1 18 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.900 0.241 25069 10021 1 18 . 1 1 53 53 ALA CB C 53 17.944 17.944 17.997 -0.053 25069 10022 1 18 . 1 1 53 53 ALA H H 53 8.242 8.242 8.473 -0.231 25069 10023 1 18 . 1 1 54 54 ALA N N 54 121.069 121.069 122.486 -1.417 25069 10024 1 18 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.051 -0.124 25069 10025 1 18 . 1 1 54 54 ALA C C 54 180.846 180.846 179.354 1.492 25069 10026 1 18 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.863 0.114 25069 10027 1 18 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.427 -0.090 25069 10028 1 18 . 1 1 54 54 ALA H H 54 7.874 7.874 7.520 0.354 25069 10029 1 18 . 1 1 55 55 PHE N N 55 118.066 118.066 118.328 -0.262 25069 10030 1 18 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.162 -0.195 25069 10031 1 18 . 1 1 55 55 PHE C C 55 177.160 177.160 177.636 -0.476 25069 10032 1 18 . 1 1 55 55 PHE CA C 55 62.029 62.029 59.605 2.424 25069 10033 1 18 . 1 1 55 55 PHE CB C 55 38.832 38.832 37.720 1.112 25069 10034 1 18 . 1 1 55 55 PHE H H 55 8.013 8.013 8.207 -0.194 25069 10035 1 18 . 1 1 56 56 GLN N N 56 118.474 118.474 121.325 -2.851 25069 10036 1 18 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.932 -0.192 25069 10037 1 18 . 1 1 56 56 GLN C C 56 178.531 178.531 178.021 0.510 25069 10038 1 18 . 1 1 56 56 GLN CA C 56 58.832 58.832 58.813 0.019 25069 10039 1 18 . 1 1 56 56 GLN CB C 56 27.854 27.854 27.797 0.057 25069 10040 1 18 . 1 1 56 56 GLN H H 56 8.265 8.265 7.859 0.406 25069 10041 1 18 . 1 1 57 57 LYS N N 57 119.207 119.207 120.345 -1.138 25069 10042 1 18 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.108 -0.255 25069 10043 1 18 . 1 1 57 57 LYS C C 57 178.458 178.458 179.665 -1.207 25069 10044 1 18 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.699 0.378 25069 10045 1 18 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.004 0.130 25069 10046 1 18 . 1 1 57 57 LYS H H 57 7.622 7.622 7.966 -0.344 25069 10047 1 18 . 1 1 58 58 LEU N N 58 119.398 119.398 122.203 -2.805 25069 10048 1 18 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.982 -0.077 25069 10049 1 18 . 1 1 58 58 LEU C C 58 178.444 178.444 178.137 0.307 25069 10050 1 18 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.941 0.180 25069 10051 1 18 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.756 -0.102 25069 10052 1 18 . 1 1 58 58 LEU H H 58 7.504 7.504 8.480 -0.976 25069 10053 1 18 . 1 1 59 59 MET N N 59 116.434 116.434 119.368 -2.934 25069 10054 1 18 . 1 1 59 59 MET HA H 59 3.614 3.614 3.862 -0.248 25069 10055 1 18 . 1 1 59 59 MET C C 59 177.513 177.513 177.821 -0.308 25069 10056 1 18 . 1 1 59 59 MET CA C 59 58.765 58.765 59.994 -1.229 25069 10057 1 18 . 1 1 59 59 MET CB C 59 31.060 31.060 32.458 -1.397 25069 10058 1 18 . 1 1 59 59 MET H H 59 8.049 8.049 8.654 -0.605 25069 10059 1 18 . 1 1 60 60 SER N N 60 111.447 111.447 114.498 -3.051 25069 10060 1 18 . 1 1 60 60 SER HA H 60 4.066 4.066 4.144 -0.078 25069 10061 1 18 . 1 1 60 60 SER C C 60 175.986 175.986 176.985 -0.999 25069 10062 1 18 . 1 1 60 60 SER CA C 60 61.416 61.416 61.098 0.318 25069 10063 1 18 . 1 1 60 60 SER CB C 60 62.945 62.945 62.248 0.697 25069 10064 1 18 . 1 1 60 60 SER H H 60 7.839 7.839 8.156 -0.317 25069 10065 1 18 . 1 1 61 61 ASN N N 61 117.559 117.559 121.025 -3.466 25069 10066 1 18 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.561 -0.211 25069 10067 1 18 . 1 1 61 61 ASN C C 61 176.377 176.377 176.913 -0.536 25069 10068 1 18 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.420 -0.417 25069 10069 1 18 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.497 0.376 25069 10070 1 18 . 1 1 61 61 ASN H H 61 7.615 7.615 7.866 -0.251 25069 10071 1 18 . 1 1 62 62 LEU N N 62 117.926 117.926 116.914 1.012 25069 10072 1 18 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.254 -0.226 25069 10073 1 18 . 1 1 62 62 LEU C C 62 178.394 178.394 177.679 0.715 25069 10074 1 18 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.465 0.532 25069 10075 1 18 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.136 1.266 25069 10076 1 18 . 1 1 62 62 LEU H H 62 7.719 7.719 8.060 -0.341 25069 10077 1 18 . 1 1 63 63 ASP N N 63 115.899 115.899 119.182 -3.283 25069 10078 1 18 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.528 0.040 25069 10079 1 18 . 1 1 63 63 ASP C C 63 176.866 176.866 176.364 0.502 25069 10080 1 18 . 1 1 63 63 ASP CA C 63 52.740 52.740 53.837 -1.097 25069 10081 1 18 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.721 -0.235 25069 10082 1 18 . 1 1 63 63 ASP H H 63 7.707 7.707 8.458 -0.751 25069 10083 1 18 . 1 1 64 64 SER N N 64 121.158 121.158 120.135 1.023 25069 10084 1 18 . 1 1 64 64 SER HA H 64 4.080 4.080 4.261 -0.181 25069 10085 1 18 . 1 1 64 64 SER C C 64 175.780 175.780 175.453 0.327 25069 10086 1 18 . 1 1 64 64 SER CA C 64 60.698 60.698 60.791 -0.093 25069 10087 1 18 . 1 1 64 64 SER CB C 64 63.034 63.034 63.431 -0.397 25069 10088 1 18 . 1 1 64 64 SER H H 64 8.034 8.034 8.631 -0.597 25069 10089 1 18 . 1 1 65 65 ASN N N 65 115.443 115.443 117.065 -1.622 25069 10090 1 18 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.547 0.117 25069 10091 1 18 . 1 1 65 65 ASN C C 65 174.775 174.775 174.978 -0.203 25069 10092 1 18 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.364 -1.365 25069 10093 1 18 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.330 -1.159 25069 10094 1 18 . 1 1 65 65 ASN H H 65 8.055 8.055 8.330 -0.275 25069 10095 1 18 . 1 1 66 66 ARG N N 66 114.242 114.242 116.932 -2.690 25069 10096 1 18 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.476 -0.549 25069 10097 1 18 . 1 1 66 66 ARG C C 66 175.354 175.354 175.504 -0.150 25069 10098 1 18 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.112 0.047 25069 10099 1 18 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.078 -0.226 25069 10100 1 18 . 1 1 66 66 ARG H H 66 7.560 7.560 7.715 -0.155 25069 10101 1 18 . 1 1 67 67 ASP N N 67 118.260 118.260 119.026 -0.766 25069 10102 1 18 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.755 -0.153 25069 10103 1 18 . 1 1 67 67 ASP C C 67 177.143 177.143 175.663 1.480 25069 10104 1 18 . 1 1 67 67 ASP CA C 67 53.019 53.019 54.506 -1.487 25069 10105 1 18 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.318 -0.614 25069 10106 1 18 . 1 1 67 67 ASP H H 67 8.406 8.406 8.478 -0.072 25069 10107 1 18 . 1 1 68 68 ASN N N 68 115.091 115.091 115.211 -0.120 25069 10108 1 18 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.435 -0.456 25069 10109 1 18 . 1 1 68 68 ASN C C 68 173.046 173.046 173.356 -0.310 25069 10110 1 18 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.283 1.054 25069 10111 1 18 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.694 0.196 25069 10112 1 18 . 1 1 68 68 ASN H H 68 10.021 10.021 8.796 1.225 25069 10113 1 18 . 1 1 69 69 GLU N N 69 115.671 115.671 116.787 -1.116 25069 10114 1 18 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.994 -0.296 25069 10115 1 18 . 1 1 69 69 GLU C C 69 175.335 175.335 175.539 -0.204 25069 10116 1 18 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.991 -0.120 25069 10117 1 18 . 1 1 69 69 GLU CB C 69 35.633 35.633 32.960 2.673 25069 10118 1 18 . 1 1 69 69 GLU H H 69 7.724 7.724 7.796 -0.072 25069 10119 1 18 . 1 1 70 70 VAL N N 70 124.606 124.606 125.354 -0.748 25069 10120 1 18 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.121 1.014 25069 10121 1 18 . 1 1 70 70 VAL C C 70 175.876 175.876 175.569 0.307 25069 10122 1 18 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.669 -1.528 25069 10123 1 18 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.847 0.710 25069 10124 1 18 . 1 1 70 70 VAL H H 70 9.814 9.814 8.761 1.053 25069 10125 1 18 . 1 1 71 71 ASP N N 71 127.612 127.612 127.203 0.409 25069 10126 1 18 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.271 -0.246 25069 10127 1 18 . 1 1 71 71 ASP C C 71 175.018 175.018 177.315 -2.297 25069 10128 1 18 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.845 -0.284 25069 10129 1 18 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.022 -1.043 25069 10130 1 18 . 1 1 71 71 ASP H H 71 8.896 8.896 8.350 0.546 25069 10131 1 18 . 1 1 72 72 PHE N N 72 117.738 117.738 117.719 0.019 25069 10132 1 18 . 1 1 72 72 PHE C C 72 177.390 177.390 177.684 -0.294 25069 10133 1 18 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.326 0.700 25069 10134 1 18 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.401 0.827 25069 10135 1 18 . 1 1 72 72 PHE H H 72 8.993 8.993 8.143 0.850 25069 10136 1 18 . 1 1 73 73 GLN N N 73 120.479 120.479 118.541 1.938 25069 10137 1 18 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.858 -0.054 25069 10138 1 18 . 1 1 73 73 GLN C C 73 178.583 178.583 177.989 0.594 25069 10139 1 18 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.322 0.738 25069 10140 1 18 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.680 -0.853 25069 10141 1 18 . 1 1 73 73 GLN H H 73 8.246 8.246 9.170 -0.924 25069 10142 1 18 . 1 1 74 74 GLU N N 74 120.179 120.179 119.421 0.758 25069 10143 1 18 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.085 -0.241 25069 10144 1 18 . 1 1 74 74 GLU C C 74 180.584 180.584 179.305 1.279 25069 10145 1 18 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.018 -0.005 25069 10146 1 18 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.334 1.072 25069 10147 1 18 . 1 1 74 74 GLU H H 74 8.782 8.782 9.103 -0.321 25069 10148 1 18 . 1 1 75 75 TYR N N 75 122.109 122.109 121.579 0.530 25069 10149 1 18 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.418 -0.406 25069 10150 1 18 . 1 1 75 75 TYR C C 75 175.383 175.383 177.742 -2.359 25069 10151 1 18 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.678 -0.455 25069 10152 1 18 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.541 0.249 25069 10153 1 18 . 1 1 75 75 TYR H H 75 8.619 8.619 8.629 -0.010 25069 10154 1 18 . 1 1 76 76 SER N N 76 117.790 117.790 115.202 2.588 25069 10155 1 18 . 1 1 76 76 SER HA H 76 3.326 3.326 4.004 -0.678 25069 10156 1 18 . 1 1 76 76 SER C C 76 176.930 176.930 176.750 0.180 25069 10157 1 18 . 1 1 76 76 SER CA C 76 62.377 62.377 61.715 0.662 25069 10158 1 18 . 1 1 76 76 SER CB C 76 62.573 62.573 62.795 -0.222 25069 10159 1 18 . 1 1 76 76 SER H H 76 8.654 8.654 8.327 0.327 25069 10160 1 18 . 1 1 77 77 VAL N N 77 123.033 123.033 123.306 -0.273 25069 10161 1 18 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.869 -0.290 25069 10162 1 18 . 1 1 77 77 VAL C C 77 178.969 178.969 178.041 0.928 25069 10163 1 18 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.989 0.107 25069 10164 1 18 . 1 1 77 77 VAL CB C 77 31.977 31.977 30.933 1.044 25069 10165 1 18 . 1 1 77 77 VAL H H 77 7.844 7.844 8.362 -0.518 25069 10166 1 18 . 1 1 78 78 PHE N N 78 121.473 121.473 122.084 -0.611 25069 10167 1 18 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.078 0.270 25069 10168 1 18 . 1 1 78 78 PHE C C 78 177.726 177.726 177.092 0.634 25069 10169 1 18 . 1 1 78 78 PHE CA C 78 59.329 59.329 61.006 -1.677 25069 10170 1 18 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.485 0.059 25069 10171 1 18 . 1 1 78 78 PHE H H 78 7.439 7.439 7.986 -0.547 25069 10172 1 18 . 1 1 79 79 LEU N N 79 118.574 118.574 117.737 0.837 25069 10173 1 18 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.083 0.147 25069 10174 1 18 . 1 1 79 79 LEU C C 79 178.837 178.837 178.900 -0.063 25069 10175 1 18 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.757 -0.027 25069 10176 1 18 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.981 -0.529 25069 10177 1 18 . 1 1 79 79 LEU H H 79 8.298 8.298 8.076 0.222 25069 10178 1 18 . 1 1 80 80 SER N N 80 112.827 112.827 114.768 -1.941 25069 10179 1 18 . 1 1 80 80 SER HA H 80 3.978 3.978 4.009 -0.031 25069 10180 1 18 . 1 1 80 80 SER C C 80 175.796 175.796 176.917 -1.121 25069 10181 1 18 . 1 1 80 80 SER CA C 80 62.278 62.278 61.810 0.467 25069 10182 1 18 . 1 1 80 80 SER CB C 80 63.148 63.148 62.504 0.644 25069 10183 1 18 . 1 1 80 80 SER H H 80 7.728 7.728 8.294 -0.566 25069 10184 1 18 . 1 1 81 81 SER N N 81 117.584 117.584 119.141 -1.557 25069 10185 1 18 . 1 1 81 81 SER HA H 81 4.151 4.151 4.209 -0.058 25069 10186 1 18 . 1 1 81 81 SER C C 81 176.761 176.761 176.622 0.139 25069 10187 1 18 . 1 1 81 81 SER CA C 81 61.673 61.673 61.495 0.178 25069 10188 1 18 . 1 1 81 81 SER CB C 81 62.441 62.441 62.779 -0.338 25069 10189 1 18 . 1 1 81 81 SER H H 81 7.703 7.703 8.063 -0.360 25069 10190 1 18 . 1 1 82 82 ILE N N 82 122.194 122.194 121.211 0.983 25069 10191 1 18 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.582 0.066 25069 10192 1 18 . 1 1 82 82 ILE C C 82 178.743 178.743 177.305 1.438 25069 10193 1 18 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.456 -1.307 25069 10194 1 18 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.337 -0.613 25069 10195 1 18 . 1 1 82 82 ILE H H 82 7.490 7.490 8.004 -0.513 25069 10196 1 18 . 1 1 83 83 ALA N N 83 123.288 123.288 121.630 1.658 25069 10197 1 18 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.937 -0.123 25069 10198 1 18 . 1 1 83 83 ALA C C 83 179.019 179.019 179.850 -0.831 25069 10199 1 18 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.968 0.559 25069 10200 1 18 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.151 -0.502 25069 10201 1 18 . 1 1 83 83 ALA H H 83 8.190 8.190 7.534 0.656 25069 10202 1 18 . 1 1 84 84 MET N N 84 114.549 114.549 118.816 -4.267 25069 10203 1 18 . 1 1 84 84 MET HA H 84 4.660 4.660 3.989 0.671 25069 10204 1 18 . 1 1 84 84 MET C C 84 174.776 174.776 178.556 -3.780 25069 10205 1 18 . 1 1 84 84 MET CA C 84 58.603 58.603 59.468 -0.865 25069 10206 1 18 . 1 1 84 84 MET CB C 84 37.147 37.147 32.606 4.540 25069 10207 1 18 . 1 1 84 84 MET H H 84 8.060 8.060 8.499 -0.439 25069 10208 1 18 . 1 1 85 85 MET N N 85 114.638 114.638 118.198 -3.560 25069 10209 1 18 . 1 1 85 85 MET HA H 85 4.079 4.079 4.159 -0.080 25069 10210 1 18 . 1 1 85 85 MET C C 85 178.153 178.153 179.228 -1.075 25069 10211 1 18 . 1 1 85 85 MET CA C 85 58.444 58.444 57.484 0.960 25069 10212 1 18 . 1 1 85 85 MET CB C 85 32.523 32.523 30.931 1.592 25069 10213 1 18 . 1 1 85 85 MET H H 85 8.097 8.097 8.544 -0.447 25069 10214 1 18 . 1 1 86 86 SER N N 86 114.719 114.719 115.213 -0.494 25069 10215 1 18 . 1 1 86 86 SER HA H 86 4.184 4.184 4.213 -0.029 25069 10216 1 18 . 1 1 86 86 SER C C 86 176.656 176.656 177.008 -0.352 25069 10217 1 18 . 1 1 86 86 SER CA C 86 60.867 60.867 61.956 -1.089 25069 10218 1 18 . 1 1 86 86 SER CB C 86 63.250 63.250 63.156 0.094 25069 10219 1 18 . 1 1 86 86 SER H H 86 8.119 8.119 8.655 -0.536 25069 10220 1 18 . 1 1 87 87 ASN N N 87 119.754 119.754 118.473 1.281 25069 10221 1 18 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.709 -0.131 25069 10222 1 18 . 1 1 87 87 ASN C C 87 176.062 176.062 177.827 -1.765 25069 10223 1 18 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.758 0.418 25069 10224 1 18 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.947 -0.199 25069 10225 1 18 . 1 1 87 87 ASN H H 87 8.328 8.328 7.771 0.557 25069 10226 1 18 . 1 1 88 88 GLU N N 88 117.928 117.928 120.186 -2.258 25069 10227 1 18 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.103 -0.364 25069 10228 1 18 . 1 1 88 88 GLU C C 88 177.870 177.870 177.817 0.053 25069 10229 1 18 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.803 -0.871 25069 10230 1 18 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.664 -0.383 25069 10231 1 18 . 1 1 88 88 GLU H H 88 7.747 7.747 8.690 -0.943 25069 10232 1 18 . 1 1 89 89 PHE N N 89 116.133 116.133 117.542 -1.409 25069 10233 1 18 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.406 -0.237 25069 10234 1 18 . 1 1 89 89 PHE C C 89 176.404 176.404 176.136 0.268 25069 10235 1 18 . 1 1 89 89 PHE CA C 89 59.056 59.056 58.421 0.635 25069 10236 1 18 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.999 -1.157 25069 10237 1 18 . 1 1 89 89 PHE H H 89 7.465 7.465 7.954 -0.488 25069 10238 1 18 . 1 1 90 90 PHE N N 90 119.130 119.130 120.555 -1.425 25069 10239 1 18 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.124 -0.069 25069 10240 1 18 . 1 1 90 90 PHE C C 90 176.420 176.420 176.499 -0.079 25069 10241 1 18 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.267 -0.497 25069 10242 1 18 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.198 0.115 25069 10243 1 18 . 1 1 90 90 PHE H H 90 7.537 7.537 7.705 -0.168 25069 10244 1 18 . 1 1 91 91 GLU N N 91 118.971 118.971 116.262 2.709 25069 10245 1 18 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.193 -0.453 25069 10246 1 18 . 1 1 91 91 GLU C C 91 176.491 176.491 177.668 -1.177 25069 10247 1 18 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.389 0.842 25069 10248 1 18 . 1 1 91 91 GLU CB C 91 30.048 30.048 29.688 0.360 25069 10249 1 18 . 1 1 91 91 GLU H H 91 7.938 7.938 8.080 -0.142 25069 10250 1 18 . 1 1 92 92 GLY N N 92 105.912 105.912 108.461 -2.549 25069 10251 1 18 . 1 1 92 92 GLY C C 92 173.288 173.288 173.421 -0.133 25069 10252 1 18 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.436 -0.372 25069 10253 1 18 . 1 1 92 92 GLY H H 92 7.201 7.201 7.892 -0.691 25069 10254 1 18 . 1 1 93 93 PHE N N 93 118.877 118.877 119.357 -0.480 25069 10255 1 18 . 1 1 93 93 PHE C C 93 174.128 174.128 173.830 0.298 25069 10256 1 18 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.920 1.289 25069 10257 1 18 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.673 -2.903 25069 10258 1 18 . 1 1 93 93 PHE H H 93 7.844 7.844 7.181 0.663 25069 10259 1 18 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.674 -0.468 25069 10260 1 18 . 1 1 94 94 PRO C C 94 176.669 176.669 176.219 0.450 25069 10261 1 18 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.284 0.417 25069 10262 1 18 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.141 1.695 25069 10263 1 18 . 1 1 95 95 ASP N N 95 118.031 118.031 121.059 -3.028 25069 10264 1 18 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.515 -0.108 25069 10265 1 18 . 1 1 95 95 ASP C C 95 176.139 176.139 176.353 -0.214 25069 10266 1 18 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.595 -0.114 25069 10267 1 18 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.364 -0.343 25069 10268 1 18 . 1 1 95 95 ASP H H 95 8.144 8.144 8.506 -0.362 25069 10269 1 18 . 1 1 96 96 LYS N N 96 119.472 119.472 115.407 4.065 25069 10270 1 18 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.343 -0.206 25069 10271 1 18 . 1 1 96 96 LYS C C 96 176.212 176.212 176.460 -0.248 25069 10272 1 18 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.312 -0.133 25069 10273 1 18 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.277 0.506 25069 10274 1 18 . 1 1 96 96 LYS H H 96 7.980 7.980 8.329 -0.349 25069 10275 1 18 . 1 1 97 97 GLN N N 97 120.185 120.185 118.881 1.304 25069 10276 1 18 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.780 -0.359 25069 10277 1 18 . 1 1 97 97 GLN C C 97 173.700 173.700 173.396 0.304 25069 10278 1 18 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.148 1.655 25069 10279 1 18 . 1 1 97 97 GLN CB C 97 28.732 28.732 30.008 -1.276 25069 10280 1 18 . 1 1 97 97 GLN H H 97 8.007 8.007 7.562 0.445 25069 10281 1 18 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.622 -0.379 25069 10282 1 18 . 1 1 98 98 PRO C C 98 176.605 176.605 176.030 0.575 25069 10283 1 18 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.425 0.589 25069 10284 1 18 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.201 0.736 25069 10285 1 18 . 1 1 99 99 ARG N N 99 120.677 120.677 118.842 1.835 25069 10286 1 18 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.170 -0.025 25069 10287 1 18 . 1 1 99 99 ARG C C 99 176.053 176.053 176.956 -0.903 25069 10288 1 18 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.356 -1.384 25069 10289 1 18 . 1 1 99 99 ARG CB C 99 30.894 30.894 29.698 1.196 25069 10290 1 18 . 1 1 99 99 ARG H H 99 8.254 8.254 7.947 0.307 25069 10291 1 18 . 1 1 100 100 LYS N N 100 122.775 122.775 114.024 8.751 25069 10292 1 18 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.140 0.004 25069 10293 1 18 . 1 1 100 100 LYS C C 100 175.376 175.376 175.422 -0.046 25069 10294 1 18 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.414 -0.018 25069 10295 1 18 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.953 0.336 25069 10296 1 18 . 1 1 100 100 LYS H H 100 8.230 8.230 7.730 0.500 25069 10297 1 19 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.651 -0.442 25069 10298 1 19 . 1 1 2 2 ALA C C 2 173.983 173.983 177.110 -3.127 25069 10299 1 19 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.394 0.208 25069 10300 1 19 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.576 1.300 25069 10301 1 19 . 1 1 3 3 SER N N 3 121.630 121.630 116.232 5.398 25069 10302 1 19 . 1 1 3 3 SER C C 3 172.689 172.689 174.081 -1.392 25069 10303 1 19 . 1 1 3 3 SER CA C 3 56.943 56.943 59.204 -2.261 25069 10304 1 19 . 1 1 3 3 SER CB C 3 63.102 63.102 61.875 1.227 25069 10305 1 19 . 1 1 3 3 SER H H 3 9.907 9.907 7.935 1.972 25069 10306 1 19 . 1 1 4 4 PRO C C 4 179.695 179.695 177.817 1.878 25069 10307 1 19 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.596 0.138 25069 10308 1 19 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.474 0.306 25069 10309 1 19 . 1 1 5 5 LEU N N 5 118.522 118.522 118.881 -0.359 25069 10310 1 19 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.972 0.059 25069 10311 1 19 . 1 1 5 5 LEU C C 5 177.968 177.968 178.459 -0.491 25069 10312 1 19 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.368 -0.721 25069 10313 1 19 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.744 0.891 25069 10314 1 19 . 1 1 5 5 LEU H H 5 8.277 8.277 7.635 0.642 25069 10315 1 19 . 1 1 6 6 GLU N N 6 118.997 118.997 118.729 0.268 25069 10316 1 19 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.007 -0.311 25069 10317 1 19 . 1 1 6 6 GLU C C 6 180.177 180.177 179.044 1.133 25069 10318 1 19 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.420 0.919 25069 10319 1 19 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.196 0.638 25069 10320 1 19 . 1 1 6 6 GLU H H 6 8.130 8.130 7.909 0.221 25069 10321 1 19 . 1 1 7 7 LYS N N 7 117.838 117.838 117.503 0.335 25069 10322 1 19 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.165 -0.169 25069 10323 1 19 . 1 1 7 7 LYS C C 7 178.764 178.764 178.821 -0.057 25069 10324 1 19 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.881 1.475 25069 10325 1 19 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.697 0.462 25069 10326 1 19 . 1 1 7 7 LYS H H 7 8.341 8.341 7.503 0.838 25069 10327 1 19 . 1 1 8 8 ALA N N 8 122.327 122.327 121.979 0.348 25069 10328 1 19 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.276 -0.297 25069 10329 1 19 . 1 1 8 8 ALA C C 8 179.482 179.482 179.285 0.197 25069 10330 1 19 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.330 0.839 25069 10331 1 19 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.121 0.173 25069 10332 1 19 . 1 1 8 8 ALA H H 8 8.082 8.082 7.915 0.167 25069 10333 1 19 . 1 1 9 9 LEU N N 9 118.212 118.212 118.376 -0.164 25069 10334 1 19 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.899 0.048 25069 10335 1 19 . 1 1 9 9 LEU C C 9 178.844 178.844 178.868 -0.024 25069 10336 1 19 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.648 0.562 25069 10337 1 19 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.121 0.495 25069 10338 1 19 . 1 1 9 9 LEU H H 9 8.042 8.042 7.884 0.158 25069 10339 1 19 . 1 1 10 10 ASP N N 10 117.997 117.997 119.264 -1.267 25069 10340 1 19 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.439 -0.052 25069 10341 1 19 . 1 1 10 10 ASP C C 10 179.582 179.582 178.699 0.883 25069 10342 1 19 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.507 0.263 25069 10343 1 19 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.027 -0.033 25069 10344 1 19 . 1 1 10 10 ASP H H 10 7.587 7.587 7.689 -0.102 25069 10345 1 19 . 1 1 11 11 VAL N N 11 120.702 120.702 119.564 1.138 25069 10346 1 19 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.685 0.052 25069 10347 1 19 . 1 1 11 11 VAL C C 11 180.061 180.061 177.538 2.523 25069 10348 1 19 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.854 0.290 25069 10349 1 19 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.676 -0.050 25069 10350 1 19 . 1 1 11 11 VAL H H 11 8.099 8.099 7.431 0.668 25069 10351 1 19 . 1 1 12 12 MET N N 12 123.185 123.185 120.600 2.585 25069 10352 1 19 . 1 1 12 12 MET HA H 12 3.921 3.921 4.345 -0.424 25069 10353 1 19 . 1 1 12 12 MET C C 12 178.871 178.871 178.640 0.231 25069 10354 1 19 . 1 1 12 12 MET CA C 12 60.784 60.784 56.904 3.881 25069 10355 1 19 . 1 1 12 12 MET CB C 12 32.579 32.579 31.567 1.012 25069 10356 1 19 . 1 1 12 12 MET H H 12 8.454 8.454 7.975 0.479 25069 10357 1 19 . 1 1 13 13 VAL N N 13 118.900 118.900 118.877 0.023 25069 10358 1 19 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.825 0.100 25069 10359 1 19 . 1 1 13 13 VAL C C 13 177.712 177.712 178.011 -0.299 25069 10360 1 19 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.073 -0.393 25069 10361 1 19 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.103 2.144 25069 10362 1 19 . 1 1 13 13 VAL H H 13 8.117 8.117 7.785 0.332 25069 10363 1 19 . 1 1 14 14 SER N N 14 114.675 114.675 115.080 -0.405 25069 10364 1 19 . 1 1 14 14 SER HA H 14 3.966 3.966 4.376 -0.410 25069 10365 1 19 . 1 1 14 14 SER C C 14 178.306 178.306 176.668 1.638 25069 10366 1 19 . 1 1 14 14 SER CA C 14 61.937 61.937 60.931 1.006 25069 10367 1 19 . 1 1 14 14 SER CB C 14 62.474 62.474 62.959 -0.485 25069 10368 1 19 . 1 1 14 14 SER H H 14 8.935 8.935 7.756 1.179 25069 10369 1 19 . 1 1 15 15 THR N N 15 117.582 117.582 119.283 -1.701 25069 10370 1 19 . 1 1 15 15 THR HA H 15 4.190 4.190 3.906 0.284 25069 10371 1 19 . 1 1 15 15 THR C C 15 174.459 174.459 175.917 -1.458 25069 10372 1 19 . 1 1 15 15 THR CA C 15 67.683 67.683 67.333 0.350 25069 10373 1 19 . 1 1 15 15 THR CB C 15 68.187 68.187 68.839 -0.652 25069 10374 1 19 . 1 1 15 15 THR H H 15 8.543 8.543 8.192 0.351 25069 10375 1 19 . 1 1 16 16 PHE N N 16 118.606 118.606 122.252 -3.646 25069 10376 1 19 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.750 -0.381 25069 10377 1 19 . 1 1 16 16 PHE C C 16 176.480 176.480 176.545 -0.065 25069 10378 1 19 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.944 0.537 25069 10379 1 19 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.527 0.709 25069 10380 1 19 . 1 1 16 16 PHE H H 16 6.809 6.809 8.034 -1.225 25069 10381 1 19 . 1 1 17 17 HIS N N 17 114.536 114.536 117.687 -3.151 25069 10382 1 19 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.220 0.506 25069 10383 1 19 . 1 1 17 17 HIS C C 17 177.124 177.124 176.769 0.355 25069 10384 1 19 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.327 0.400 25069 10385 1 19 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.235 0.913 25069 10386 1 19 . 1 1 17 17 HIS H H 17 6.955 6.955 8.003 -1.048 25069 10387 1 19 . 1 1 18 18 LYS N N 18 120.739 120.739 119.699 1.040 25069 10388 1 19 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.933 -0.215 25069 10389 1 19 . 1 1 18 18 LYS C C 18 177.006 177.006 177.770 -0.764 25069 10390 1 19 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.873 -0.005 25069 10391 1 19 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.097 0.017 25069 10392 1 19 . 1 1 18 18 LYS H H 18 7.820 7.820 7.196 0.624 25069 10393 1 19 . 1 1 19 19 TYR N N 19 112.545 112.545 116.928 -4.383 25069 10394 1 19 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.255 -0.116 25069 10395 1 19 . 1 1 19 19 TYR C C 19 176.218 176.218 177.581 -1.363 25069 10396 1 19 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.448 -0.550 25069 10397 1 19 . 1 1 19 19 TYR CB C 19 40.457 40.457 38.703 1.754 25069 10398 1 19 . 1 1 19 19 TYR H H 19 6.730 6.730 7.620 -0.890 25069 10399 1 19 . 1 1 20 20 SER N N 20 113.404 113.404 113.937 -0.533 25069 10400 1 19 . 1 1 20 20 SER HA H 20 3.385 3.385 4.399 -1.014 25069 10401 1 19 . 1 1 20 20 SER C C 20 176.961 176.961 176.135 0.826 25069 10402 1 19 . 1 1 20 20 SER CA C 20 61.866 61.866 60.376 1.490 25069 10403 1 19 . 1 1 20 20 SER CB C 20 60.904 60.904 62.617 -1.714 25069 10404 1 19 . 1 1 20 20 SER H H 20 8.493 8.493 8.155 0.338 25069 10405 1 19 . 1 1 21 21 GLY N N 21 109.001 109.001 108.066 0.935 25069 10406 1 19 . 1 1 21 21 GLY C C 21 173.502 173.502 174.134 -0.632 25069 10407 1 19 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.752 0.787 25069 10408 1 19 . 1 1 21 21 GLY H H 21 7.512 7.512 7.497 0.015 25069 10409 1 19 . 1 1 22 22 LYS N N 22 120.754 120.754 118.942 1.812 25069 10410 1 19 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.363 -0.568 25069 10411 1 19 . 1 1 22 22 LYS C C 22 177.354 177.354 176.748 0.606 25069 10412 1 19 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.062 2.946 25069 10413 1 19 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.902 -0.919 25069 10414 1 19 . 1 1 22 22 LYS H H 22 6.958 6.958 7.749 -0.791 25069 10415 1 19 . 1 1 23 23 GLU N N 23 115.305 115.305 119.286 -3.981 25069 10416 1 19 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.473 -0.015 25069 10417 1 19 . 1 1 23 23 GLU C C 23 176.733 176.733 176.419 0.314 25069 10418 1 19 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.077 -0.642 25069 10419 1 19 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.125 3.229 25069 10420 1 19 . 1 1 23 23 GLU H H 23 9.425 9.425 8.950 0.475 25069 10421 1 19 . 1 1 24 24 GLY N N 24 112.542 112.542 115.303 -2.761 25069 10422 1 19 . 1 1 24 24 GLY C C 24 173.486 173.486 174.328 -0.842 25069 10423 1 19 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.014 0.328 25069 10424 1 19 . 1 1 24 24 GLY H H 24 8.879 8.879 8.683 0.196 25069 10425 1 19 . 1 1 25 25 ASP N N 25 125.117 125.117 122.406 2.711 25069 10426 1 19 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.751 -0.468 25069 10427 1 19 . 1 1 25 25 ASP C C 25 179.177 179.177 175.838 3.339 25069 10428 1 19 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.209 1.905 25069 10429 1 19 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.370 -0.634 25069 10430 1 19 . 1 1 25 25 ASP H H 25 8.423 8.423 7.968 0.455 25069 10431 1 19 . 1 1 26 26 LYS N N 26 131.175 131.175 116.956 14.219 25069 10432 1 19 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.404 -0.208 25069 10433 1 19 . 1 1 26 26 LYS C C 26 176.638 176.638 174.832 1.806 25069 10434 1 19 . 1 1 26 26 LYS CA C 26 57.968 57.968 57.419 0.549 25069 10435 1 19 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.569 -2.346 25069 10436 1 19 . 1 1 26 26 LYS H H 26 9.247 9.247 8.300 0.947 25069 10437 1 19 . 1 1 27 27 PHE N N 27 118.593 118.593 116.436 2.157 25069 10438 1 19 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.979 -0.280 25069 10439 1 19 . 1 1 27 27 PHE C C 27 173.452 173.452 174.315 -0.863 25069 10440 1 19 . 1 1 27 27 PHE CA C 27 56.032 56.032 55.866 0.166 25069 10441 1 19 . 1 1 27 27 PHE CB C 27 39.091 39.091 39.657 -0.566 25069 10442 1 19 . 1 1 27 27 PHE H H 27 9.335 9.335 8.100 1.235 25069 10443 1 19 . 1 1 28 28 LYS N N 28 113.854 113.854 119.244 -5.390 25069 10444 1 19 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.245 -0.241 25069 10445 1 19 . 1 1 28 28 LYS C C 28 174.468 174.468 175.154 -0.686 25069 10446 1 19 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.243 0.044 25069 10447 1 19 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.620 1.399 25069 10448 1 19 . 1 1 28 28 LYS H H 28 6.985 6.985 7.589 -0.604 25069 10449 1 19 . 1 1 29 29 LEU N N 29 124.858 124.858 124.991 -0.133 25069 10450 1 19 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.867 0.146 25069 10451 1 19 . 1 1 29 29 LEU C C 29 175.791 175.791 176.498 -0.707 25069 10452 1 19 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.296 -0.697 25069 10453 1 19 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.185 1.372 25069 10454 1 19 . 1 1 29 29 LEU H H 29 9.454 9.454 9.091 0.363 25069 10455 1 19 . 1 1 30 30 ASN N N 30 122.896 122.896 122.626 0.270 25069 10456 1 19 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.013 -0.435 25069 10457 1 19 . 1 1 30 30 ASN C C 30 174.969 174.969 176.462 -1.493 25069 10458 1 19 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.123 -1.024 25069 10459 1 19 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.546 -2.188 25069 10460 1 19 . 1 1 30 30 ASN H H 30 9.560 9.560 8.097 1.463 25069 10461 1 19 . 1 1 31 31 LYS N N 31 115.136 115.136 120.201 -5.065 25069 10462 1 19 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.851 0.019 25069 10463 1 19 . 1 1 31 31 LYS C C 31 177.992 177.992 178.305 -0.313 25069 10464 1 19 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.643 0.392 25069 10465 1 19 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.973 0.233 25069 10466 1 19 . 1 1 31 31 LYS H H 31 8.204 8.204 8.830 -0.626 25069 10467 1 19 . 1 1 32 32 SER N N 32 113.755 113.755 114.977 -1.222 25069 10468 1 19 . 1 1 32 32 SER HA H 32 3.939 3.939 4.042 -0.103 25069 10469 1 19 . 1 1 32 32 SER C C 32 177.484 177.484 176.549 0.935 25069 10470 1 19 . 1 1 32 32 SER CA C 32 61.374 61.374 61.967 -0.592 25069 10471 1 19 . 1 1 32 32 SER CB C 32 62.733 62.733 62.810 -0.077 25069 10472 1 19 . 1 1 32 32 SER H H 32 7.575 7.575 8.111 -0.536 25069 10473 1 19 . 1 1 33 33 GLU N N 33 122.657 122.657 122.312 0.345 25069 10474 1 19 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.243 -0.330 25069 10475 1 19 . 1 1 33 33 GLU C C 33 178.560 178.560 179.172 -0.612 25069 10476 1 19 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.718 0.124 25069 10477 1 19 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.617 1.582 25069 10478 1 19 . 1 1 33 33 GLU H H 33 8.608 8.608 7.604 1.004 25069 10479 1 19 . 1 1 34 34 LEU N N 34 117.375 117.375 121.939 -4.564 25069 10480 1 19 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.800 0.005 25069 10481 1 19 . 1 1 34 34 LEU C C 34 177.693 177.693 178.157 -0.464 25069 10482 1 19 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.553 -0.777 25069 10483 1 19 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.758 -0.061 25069 10484 1 19 . 1 1 34 34 LEU H H 34 8.859 8.859 8.730 0.129 25069 10485 1 19 . 1 1 35 35 LYS N N 35 117.418 117.418 118.645 -1.227 25069 10486 1 19 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.772 -0.246 25069 10487 1 19 . 1 1 35 35 LYS C C 35 179.129 179.129 178.860 0.269 25069 10488 1 19 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.238 -0.072 25069 10489 1 19 . 1 1 35 35 LYS CB C 35 31.759 31.759 32.025 -0.266 25069 10490 1 19 . 1 1 35 35 LYS H H 35 7.901 7.901 8.192 -0.291 25069 10491 1 19 . 1 1 36 36 GLU N N 36 120.491 120.491 119.575 0.916 25069 10492 1 19 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.053 -0.334 25069 10493 1 19 . 1 1 36 36 GLU C C 36 176.354 176.354 179.233 -2.879 25069 10494 1 19 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.050 0.919 25069 10495 1 19 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.776 -0.384 25069 10496 1 19 . 1 1 36 36 GLU H H 36 7.619 7.619 7.591 0.028 25069 10497 1 19 . 1 1 37 37 LEU N N 37 120.058 120.058 121.317 -1.259 25069 10498 1 19 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.071 -0.646 25069 10499 1 19 . 1 1 37 37 LEU C C 37 179.412 179.412 178.804 0.608 25069 10500 1 19 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.623 1.814 25069 10501 1 19 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.729 0.075 25069 10502 1 19 . 1 1 37 37 LEU H H 37 7.762 7.762 8.349 -0.587 25069 10503 1 19 . 1 1 38 38 LEU N N 38 116.987 116.987 118.540 -1.553 25069 10504 1 19 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.139 -0.474 25069 10505 1 19 . 1 1 38 38 LEU C C 38 178.279 178.279 178.889 -0.610 25069 10506 1 19 . 1 1 38 38 LEU CA C 38 58.678 58.678 57.869 0.809 25069 10507 1 19 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.948 1.366 25069 10508 1 19 . 1 1 38 38 LEU H H 38 8.532 8.532 8.569 -0.037 25069 10509 1 19 . 1 1 39 39 THR N N 39 108.650 108.650 109.586 -0.936 25069 10510 1 19 . 1 1 39 39 THR HA H 39 3.693 3.693 4.287 -0.594 25069 10511 1 19 . 1 1 39 39 THR C C 39 176.231 176.231 176.892 -0.661 25069 10512 1 19 . 1 1 39 39 THR CA C 39 65.997 65.997 65.339 0.658 25069 10513 1 19 . 1 1 39 39 THR CB C 39 69.618 69.618 69.181 0.436 25069 10514 1 19 . 1 1 39 39 THR H H 39 7.883 7.883 8.177 -0.294 25069 10515 1 19 . 1 1 40 40 ARG N N 40 115.482 115.482 120.495 -5.013 25069 10516 1 19 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.369 -0.217 25069 10517 1 19 . 1 1 40 40 ARG C C 40 178.520 178.520 178.007 0.513 25069 10518 1 19 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.129 -0.094 25069 10519 1 19 . 1 1 40 40 ARG CB C 40 31.245 31.245 31.155 0.090 25069 10520 1 19 . 1 1 40 40 ARG H H 40 8.015 8.015 8.058 -0.043 25069 10521 1 19 . 1 1 41 41 GLU N N 41 112.106 112.106 117.215 -5.109 25069 10522 1 19 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.422 0.412 25069 10523 1 19 . 1 1 41 41 GLU C C 41 177.856 177.856 176.357 1.499 25069 10524 1 19 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.649 -1.451 25069 10525 1 19 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.548 -0.227 25069 10526 1 19 . 1 1 41 41 GLU H H 41 8.463 8.463 8.339 0.124 25069 10527 1 19 . 1 1 42 42 LEU N N 42 119.287 119.287 120.375 -1.088 25069 10528 1 19 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.929 0.123 25069 10529 1 19 . 1 1 42 42 LEU C C 42 174.457 174.457 174.756 -0.299 25069 10530 1 19 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.843 -0.005 25069 10531 1 19 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.157 1.926 25069 10532 1 19 . 1 1 42 42 LEU H H 42 7.688 7.688 7.597 0.091 25069 10533 1 19 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.433 -0.229 25069 10534 1 19 . 1 1 43 43 PRO C C 43 179.969 179.969 178.927 1.042 25069 10535 1 19 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.720 -0.031 25069 10536 1 19 . 1 1 43 43 PRO CB C 43 30.827 30.827 32.007 -1.180 25069 10537 1 19 . 1 1 44 44 SER N N 44 114.352 114.352 111.831 2.521 25069 10538 1 19 . 1 1 44 44 SER HA H 44 4.093 4.093 4.308 -0.215 25069 10539 1 19 . 1 1 44 44 SER C C 44 175.709 175.709 176.967 -1.258 25069 10540 1 19 . 1 1 44 44 SER CA C 44 60.793 60.793 60.876 -0.083 25069 10541 1 19 . 1 1 44 44 SER CB C 44 62.400 62.400 62.896 -0.496 25069 10542 1 19 . 1 1 44 44 SER H H 44 8.674 8.674 8.155 0.519 25069 10543 1 19 . 1 1 45 45 PHE N N 45 121.558 121.558 123.101 -1.543 25069 10544 1 19 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.227 -0.075 25069 10545 1 19 . 1 1 45 45 PHE C C 45 176.441 176.441 177.105 -0.664 25069 10546 1 19 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.544 -1.210 25069 10547 1 19 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.209 0.580 25069 10548 1 19 . 1 1 45 45 PHE H H 45 7.952 7.952 7.676 0.276 25069 10549 1 19 . 1 1 46 46 LEU N N 46 117.590 117.590 115.072 2.518 25069 10550 1 19 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.534 -0.698 25069 10551 1 19 . 1 1 46 46 LEU C C 46 178.236 178.236 179.597 -1.361 25069 10552 1 19 . 1 1 46 46 LEU CA C 46 56.144 56.144 55.321 0.823 25069 10553 1 19 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.909 0.607 25069 10554 1 19 . 1 1 46 46 LEU H H 46 7.906 7.906 7.947 -0.041 25069 10555 1 19 . 1 1 47 47 GLY N N 47 104.817 104.817 109.565 -4.748 25069 10556 1 19 . 1 1 47 47 GLY C C 47 174.665 174.665 175.461 -0.796 25069 10557 1 19 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.820 -0.835 25069 10558 1 19 . 1 1 47 47 GLY H H 47 7.646 7.646 7.966 -0.320 25069 10559 1 19 . 1 1 48 48 LYS N N 48 120.422 120.422 117.172 3.250 25069 10560 1 19 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.327 -0.175 25069 10561 1 19 . 1 1 48 48 LYS C C 48 177.029 177.029 176.239 0.790 25069 10562 1 19 . 1 1 48 48 LYS CA C 48 56.480 56.480 56.622 -0.142 25069 10563 1 19 . 1 1 48 48 LYS CB C 48 32.252 32.252 33.235 -0.983 25069 10564 1 19 . 1 1 48 48 LYS H H 48 8.400 8.400 7.424 0.976 25069 10565 1 19 . 1 1 49 49 ARG N N 49 119.815 119.815 120.431 -0.616 25069 10566 1 19 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.453 -0.150 25069 10567 1 19 . 1 1 49 49 ARG C C 49 175.183 175.183 174.091 1.092 25069 10568 1 19 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.537 0.162 25069 10569 1 19 . 1 1 49 49 ARG CB C 49 29.507 29.507 30.982 -1.475 25069 10570 1 19 . 1 1 49 49 ARG H H 49 7.801 7.801 7.655 0.146 25069 10571 1 19 . 1 1 50 50 THR N N 50 110.525 110.525 113.207 -2.682 25069 10572 1 19 . 1 1 50 50 THR HA H 50 4.091 4.091 4.610 -0.519 25069 10573 1 19 . 1 1 50 50 THR C C 50 174.108 174.108 173.935 0.173 25069 10574 1 19 . 1 1 50 50 THR CA C 50 61.579 61.579 61.122 0.457 25069 10575 1 19 . 1 1 50 50 THR CB C 50 69.136 69.136 70.172 -1.036 25069 10576 1 19 . 1 1 50 50 THR H H 50 7.808 7.808 7.683 0.125 25069 10577 1 19 . 1 1 51 51 ASP N N 51 121.073 121.073 123.962 -2.889 25069 10578 1 19 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.592 -0.032 25069 10579 1 19 . 1 1 51 51 ASP C C 51 175.715 175.715 175.429 0.286 25069 10580 1 19 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.875 -0.821 25069 10581 1 19 . 1 1 51 51 ASP CB C 51 41.811 41.811 42.517 -0.706 25069 10582 1 19 . 1 1 51 51 ASP H H 51 7.924 7.924 7.973 -0.049 25069 10583 1 19 . 1 1 52 52 GLU N N 52 120.418 120.418 120.226 0.192 25069 10584 1 19 . 1 1 52 52 GLU HA H 52 4.042 4.042 3.206 0.836 25069 10585 1 19 . 1 1 52 52 GLU C C 52 178.726 178.726 177.165 1.561 25069 10586 1 19 . 1 1 52 52 GLU CA C 52 59.560 59.560 58.918 0.642 25069 10587 1 19 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.573 -0.189 25069 10588 1 19 . 1 1 52 52 GLU H H 52 8.515 8.515 8.738 -0.223 25069 10589 1 19 . 1 1 53 53 ALA N N 53 120.807 120.807 121.023 -0.216 25069 10590 1 19 . 1 1 53 53 ALA HA H 53 4.036 4.036 3.884 0.152 25069 10591 1 19 . 1 1 53 53 ALA C C 53 180.416 180.416 179.034 1.382 25069 10592 1 19 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.795 0.346 25069 10593 1 19 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.125 -0.181 25069 10594 1 19 . 1 1 53 53 ALA H H 53 8.242 8.242 8.720 -0.478 25069 10595 1 19 . 1 1 54 54 ALA N N 54 121.069 121.069 122.339 -1.270 25069 10596 1 19 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.021 -0.094 25069 10597 1 19 . 1 1 54 54 ALA C C 54 180.846 180.846 179.474 1.372 25069 10598 1 19 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.901 0.076 25069 10599 1 19 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.394 -0.057 25069 10600 1 19 . 1 1 54 54 ALA H H 54 7.874 7.874 7.604 0.270 25069 10601 1 19 . 1 1 55 55 PHE N N 55 118.066 118.066 117.160 0.906 25069 10602 1 19 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.200 -0.233 25069 10603 1 19 . 1 1 55 55 PHE C C 55 177.160 177.160 177.563 -0.403 25069 10604 1 19 . 1 1 55 55 PHE CA C 55 62.029 62.029 59.979 2.050 25069 10605 1 19 . 1 1 55 55 PHE CB C 55 38.832 38.832 37.487 1.345 25069 10606 1 19 . 1 1 55 55 PHE H H 55 8.013 8.013 7.267 0.746 25069 10607 1 19 . 1 1 56 56 GLN N N 56 118.474 118.474 120.988 -2.514 25069 10608 1 19 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.980 -0.240 25069 10609 1 19 . 1 1 56 56 GLN C C 56 178.531 178.531 178.255 0.276 25069 10610 1 19 . 1 1 56 56 GLN CA C 56 58.832 58.832 58.907 -0.075 25069 10611 1 19 . 1 1 56 56 GLN CB C 56 27.854 27.854 27.955 -0.101 25069 10612 1 19 . 1 1 56 56 GLN H H 56 8.265 8.265 7.346 0.919 25069 10613 1 19 . 1 1 57 57 LYS N N 57 119.207 119.207 119.288 -0.081 25069 10614 1 19 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.062 -0.209 25069 10615 1 19 . 1 1 57 57 LYS C C 57 178.458 178.458 179.132 -0.674 25069 10616 1 19 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.941 0.136 25069 10617 1 19 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.027 0.107 25069 10618 1 19 . 1 1 57 57 LYS H H 57 7.622 7.622 7.987 -0.365 25069 10619 1 19 . 1 1 58 58 LEU N N 58 119.398 119.398 122.029 -2.631 25069 10620 1 19 . 1 1 58 58 LEU HA H 58 3.905 3.905 4.008 -0.103 25069 10621 1 19 . 1 1 58 58 LEU C C 58 178.444 178.444 178.488 -0.044 25069 10622 1 19 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.922 0.199 25069 10623 1 19 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.729 -0.075 25069 10624 1 19 . 1 1 58 58 LEU H H 58 7.504 7.504 8.326 -0.822 25069 10625 1 19 . 1 1 59 59 MET N N 59 116.434 116.434 119.710 -3.276 25069 10626 1 19 . 1 1 59 59 MET HA H 59 3.614 3.614 3.923 -0.309 25069 10627 1 19 . 1 1 59 59 MET C C 59 177.513 177.513 178.112 -0.599 25069 10628 1 19 . 1 1 59 59 MET CA C 59 58.765 58.765 58.717 0.048 25069 10629 1 19 . 1 1 59 59 MET CB C 59 31.060 31.060 31.507 -0.447 25069 10630 1 19 . 1 1 59 59 MET H H 59 8.049 8.049 8.789 -0.740 25069 10631 1 19 . 1 1 60 60 SER N N 60 111.447 111.447 114.293 -2.846 25069 10632 1 19 . 1 1 60 60 SER HA H 60 4.066 4.066 4.129 -0.063 25069 10633 1 19 . 1 1 60 60 SER C C 60 175.986 175.986 176.267 -0.281 25069 10634 1 19 . 1 1 60 60 SER CA C 60 61.416 61.416 61.464 -0.048 25069 10635 1 19 . 1 1 60 60 SER CB C 60 62.945 62.945 62.778 0.167 25069 10636 1 19 . 1 1 60 60 SER H H 60 7.839 7.839 7.900 -0.061 25069 10637 1 19 . 1 1 61 61 ASN N N 61 117.559 117.559 118.511 -0.952 25069 10638 1 19 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.652 -0.302 25069 10639 1 19 . 1 1 61 61 ASN C C 61 176.377 176.377 177.400 -1.023 25069 10640 1 19 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.356 -0.353 25069 10641 1 19 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.953 -0.080 25069 10642 1 19 . 1 1 61 61 ASN H H 61 7.615 7.615 7.917 -0.302 25069 10643 1 19 . 1 1 62 62 LEU N N 62 117.926 117.926 117.795 0.131 25069 10644 1 19 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.258 -0.230 25069 10645 1 19 . 1 1 62 62 LEU C C 62 178.394 178.394 177.279 1.115 25069 10646 1 19 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.359 0.638 25069 10647 1 19 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.445 0.957 25069 10648 1 19 . 1 1 62 62 LEU H H 62 7.719 7.719 8.097 -0.378 25069 10649 1 19 . 1 1 63 63 ASP N N 63 115.899 115.899 118.689 -2.790 25069 10650 1 19 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.834 -0.266 25069 10651 1 19 . 1 1 63 63 ASP C C 63 176.866 176.866 176.116 0.750 25069 10652 1 19 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.311 -1.571 25069 10653 1 19 . 1 1 63 63 ASP CB C 63 39.486 39.486 41.317 -1.831 25069 10654 1 19 . 1 1 63 63 ASP H H 63 7.707 7.707 8.131 -0.424 25069 10655 1 19 . 1 1 64 64 SER N N 64 121.158 121.158 123.556 -2.398 25069 10656 1 19 . 1 1 64 64 SER HA H 64 4.080 4.080 4.413 -0.333 25069 10657 1 19 . 1 1 64 64 SER C C 64 175.780 175.780 175.591 0.189 25069 10658 1 19 . 1 1 64 64 SER CA C 64 60.698 60.698 59.917 0.781 25069 10659 1 19 . 1 1 64 64 SER CB C 64 63.034 63.034 63.605 -0.571 25069 10660 1 19 . 1 1 64 64 SER H H 64 8.034 8.034 8.869 -0.835 25069 10661 1 19 . 1 1 65 65 ASN N N 65 115.443 115.443 117.531 -2.088 25069 10662 1 19 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.749 -0.085 25069 10663 1 19 . 1 1 65 65 ASN C C 65 174.775 174.775 175.476 -0.701 25069 10664 1 19 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.462 -1.463 25069 10665 1 19 . 1 1 65 65 ASN CB C 65 37.171 37.171 39.356 -2.185 25069 10666 1 19 . 1 1 65 65 ASN H H 65 8.055 8.055 8.082 -0.027 25069 10667 1 19 . 1 1 66 66 ARG N N 66 114.242 114.242 117.009 -2.767 25069 10668 1 19 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.122 -0.195 25069 10669 1 19 . 1 1 66 66 ARG C C 66 175.354 175.354 175.168 0.186 25069 10670 1 19 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.982 0.177 25069 10671 1 19 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.134 -0.281 25069 10672 1 19 . 1 1 66 66 ARG H H 66 7.560 7.560 8.634 -1.074 25069 10673 1 19 . 1 1 67 67 ASP N N 67 118.260 118.260 119.637 -1.377 25069 10674 1 19 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.613 -0.011 25069 10675 1 19 . 1 1 67 67 ASP C C 67 177.143 177.143 176.514 0.629 25069 10676 1 19 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.809 -0.790 25069 10677 1 19 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.371 -0.667 25069 10678 1 19 . 1 1 67 67 ASP H H 67 8.406 8.406 8.391 0.015 25069 10679 1 19 . 1 1 68 68 ASN N N 68 115.091 115.091 115.006 0.085 25069 10680 1 19 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.382 -0.403 25069 10681 1 19 . 1 1 68 68 ASN C C 68 173.046 173.046 173.465 -0.419 25069 10682 1 19 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.763 0.574 25069 10683 1 19 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.823 0.067 25069 10684 1 19 . 1 1 68 68 ASN H H 68 10.021 10.021 9.018 1.003 25069 10685 1 19 . 1 1 69 69 GLU N N 69 115.671 115.671 116.811 -1.140 25069 10686 1 19 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.997 -0.299 25069 10687 1 19 . 1 1 69 69 GLU C C 69 175.335 175.335 175.428 -0.093 25069 10688 1 19 . 1 1 69 69 GLU CA C 69 54.871 54.871 55.015 -0.144 25069 10689 1 19 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.243 2.390 25069 10690 1 19 . 1 1 69 69 GLU H H 69 7.724 7.724 7.827 -0.103 25069 10691 1 19 . 1 1 70 70 VAL N N 70 124.606 124.606 126.478 -1.872 25069 10692 1 19 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.318 0.817 25069 10693 1 19 . 1 1 70 70 VAL C C 70 175.876 175.876 176.273 -0.397 25069 10694 1 19 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.919 -1.777 25069 10695 1 19 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.471 1.085 25069 10696 1 19 . 1 1 70 70 VAL H H 70 9.814 9.814 8.922 0.892 25069 10697 1 19 . 1 1 71 71 ASP N N 71 127.612 127.612 128.114 -0.502 25069 10698 1 19 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.338 -0.313 25069 10699 1 19 . 1 1 71 71 ASP C C 71 175.018 175.018 177.637 -2.619 25069 10700 1 19 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.349 -0.788 25069 10701 1 19 . 1 1 71 71 ASP CB C 71 41.979 41.979 43.255 -1.276 25069 10702 1 19 . 1 1 71 71 ASP H H 71 8.896 8.896 9.307 -0.411 25069 10703 1 19 . 1 1 72 72 PHE N N 72 117.738 117.738 118.352 -0.614 25069 10704 1 19 . 1 1 72 72 PHE C C 72 177.390 177.390 177.842 -0.452 25069 10705 1 19 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.381 0.645 25069 10706 1 19 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.413 0.815 25069 10707 1 19 . 1 1 72 72 PHE H H 72 8.993 8.993 8.528 0.465 25069 10708 1 19 . 1 1 73 73 GLN N N 73 120.479 120.479 118.857 1.622 25069 10709 1 19 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.860 -0.056 25069 10710 1 19 . 1 1 73 73 GLN C C 73 178.583 178.583 177.957 0.626 25069 10711 1 19 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.573 0.487 25069 10712 1 19 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.607 -0.779 25069 10713 1 19 . 1 1 73 73 GLN H H 73 8.246 8.246 9.264 -1.018 25069 10714 1 19 . 1 1 74 74 GLU N N 74 120.179 120.179 119.036 1.143 25069 10715 1 19 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.068 -0.224 25069 10716 1 19 . 1 1 74 74 GLU C C 74 180.584 180.584 179.203 1.381 25069 10717 1 19 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.165 -0.152 25069 10718 1 19 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.643 0.763 25069 10719 1 19 . 1 1 74 74 GLU H H 74 8.782 8.782 9.087 -0.305 25069 10720 1 19 . 1 1 75 75 TYR N N 75 122.109 122.109 120.710 1.399 25069 10721 1 19 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.387 -0.375 25069 10722 1 19 . 1 1 75 75 TYR C C 75 175.383 175.383 177.316 -1.933 25069 10723 1 19 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.601 -0.378 25069 10724 1 19 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.513 0.277 25069 10725 1 19 . 1 1 75 75 TYR H H 75 8.619 8.619 8.411 0.208 25069 10726 1 19 . 1 1 76 76 SER N N 76 117.790 117.790 115.813 1.977 25069 10727 1 19 . 1 1 76 76 SER HA H 76 3.326 3.326 3.633 -0.307 25069 10728 1 19 . 1 1 76 76 SER C C 76 176.930 176.930 176.840 0.090 25069 10729 1 19 . 1 1 76 76 SER CA C 76 62.377 62.377 61.387 0.990 25069 10730 1 19 . 1 1 76 76 SER CB C 76 62.573 62.573 62.701 -0.128 25069 10731 1 19 . 1 1 76 76 SER H H 76 8.654 8.654 8.223 0.431 25069 10732 1 19 . 1 1 77 77 VAL N N 77 123.033 123.033 122.562 0.471 25069 10733 1 19 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.723 -0.144 25069 10734 1 19 . 1 1 77 77 VAL C C 77 178.969 178.969 177.799 1.170 25069 10735 1 19 . 1 1 77 77 VAL CA C 77 66.096 66.096 65.756 0.340 25069 10736 1 19 . 1 1 77 77 VAL CB C 77 31.977 31.977 30.368 1.609 25069 10737 1 19 . 1 1 77 77 VAL H H 77 7.844 7.844 8.471 -0.627 25069 10738 1 19 . 1 1 78 78 PHE N N 78 121.473 121.473 122.088 -0.615 25069 10739 1 19 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.097 0.251 25069 10740 1 19 . 1 1 78 78 PHE C C 78 177.726 177.726 176.699 1.027 25069 10741 1 19 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.805 -1.476 25069 10742 1 19 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.455 0.089 25069 10743 1 19 . 1 1 78 78 PHE H H 78 7.439 7.439 7.520 -0.081 25069 10744 1 19 . 1 1 79 79 LEU N N 79 118.574 118.574 118.295 0.279 25069 10745 1 19 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.159 0.071 25069 10746 1 19 . 1 1 79 79 LEU C C 79 178.837 178.837 178.838 -0.001 25069 10747 1 19 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.645 0.085 25069 10748 1 19 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.836 -0.384 25069 10749 1 19 . 1 1 79 79 LEU H H 79 8.298 8.298 7.888 0.410 25069 10750 1 19 . 1 1 80 80 SER N N 80 112.827 112.827 115.936 -3.109 25069 10751 1 19 . 1 1 80 80 SER HA H 80 3.978 3.978 3.998 -0.020 25069 10752 1 19 . 1 1 80 80 SER C C 80 175.796 175.796 176.702 -0.906 25069 10753 1 19 . 1 1 80 80 SER CA C 80 62.278 62.278 62.265 0.013 25069 10754 1 19 . 1 1 80 80 SER CB C 80 63.148 63.148 62.307 0.841 25069 10755 1 19 . 1 1 80 80 SER H H 80 7.728 7.728 8.531 -0.803 25069 10756 1 19 . 1 1 81 81 SER N N 81 117.584 117.584 118.386 -0.802 25069 10757 1 19 . 1 1 81 81 SER HA H 81 4.151 4.151 4.120 0.031 25069 10758 1 19 . 1 1 81 81 SER C C 81 176.761 176.761 176.694 0.067 25069 10759 1 19 . 1 1 81 81 SER CA C 81 61.673 61.673 62.058 -0.385 25069 10760 1 19 . 1 1 81 81 SER CB C 81 62.441 62.441 62.826 -0.385 25069 10761 1 19 . 1 1 81 81 SER H H 81 7.703 7.703 8.130 -0.427 25069 10762 1 19 . 1 1 82 82 ILE N N 82 122.194 122.194 121.603 0.591 25069 10763 1 19 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.659 -0.011 25069 10764 1 19 . 1 1 82 82 ILE C C 82 178.743 178.743 177.438 1.305 25069 10765 1 19 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.446 -1.297 25069 10766 1 19 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.329 -0.604 25069 10767 1 19 . 1 1 82 82 ILE H H 82 7.490 7.490 7.734 -0.244 25069 10768 1 19 . 1 1 83 83 ALA N N 83 123.288 123.288 123.017 0.271 25069 10769 1 19 . 1 1 83 83 ALA HA H 83 3.814 3.814 4.067 -0.253 25069 10770 1 19 . 1 1 83 83 ALA C C 83 179.019 179.019 180.155 -1.136 25069 10771 1 19 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.774 0.753 25069 10772 1 19 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.683 -1.034 25069 10773 1 19 . 1 1 83 83 ALA H H 83 8.190 8.190 7.863 0.327 25069 10774 1 19 . 1 1 84 84 MET N N 84 114.549 114.549 117.624 -3.075 25069 10775 1 19 . 1 1 84 84 MET HA H 84 4.660 4.660 4.083 0.577 25069 10776 1 19 . 1 1 84 84 MET C C 84 174.776 174.776 178.427 -3.651 25069 10777 1 19 . 1 1 84 84 MET CA C 84 58.603 58.603 59.310 -0.708 25069 10778 1 19 . 1 1 84 84 MET CB C 84 37.147 37.147 32.775 4.372 25069 10779 1 19 . 1 1 84 84 MET H H 84 8.060 8.060 8.371 -0.311 25069 10780 1 19 . 1 1 85 85 MET N N 85 114.638 114.638 118.749 -4.111 25069 10781 1 19 . 1 1 85 85 MET HA H 85 4.079 4.079 4.256 -0.177 25069 10782 1 19 . 1 1 85 85 MET C C 85 178.153 178.153 178.488 -0.335 25069 10783 1 19 . 1 1 85 85 MET CA C 85 58.444 58.444 58.744 -0.300 25069 10784 1 19 . 1 1 85 85 MET CB C 85 32.523 32.523 31.861 0.662 25069 10785 1 19 . 1 1 85 85 MET H H 85 8.097 8.097 8.616 -0.519 25069 10786 1 19 . 1 1 86 86 SER N N 86 114.719 114.719 115.742 -1.023 25069 10787 1 19 . 1 1 86 86 SER HA H 86 4.184 4.184 4.262 -0.078 25069 10788 1 19 . 1 1 86 86 SER C C 86 176.656 176.656 176.600 0.056 25069 10789 1 19 . 1 1 86 86 SER CA C 86 60.867 60.867 61.545 -0.678 25069 10790 1 19 . 1 1 86 86 SER CB C 86 63.250 63.250 62.619 0.631 25069 10791 1 19 . 1 1 86 86 SER H H 86 8.119 8.119 8.691 -0.572 25069 10792 1 19 . 1 1 87 87 ASN N N 87 119.754 119.754 121.462 -1.708 25069 10793 1 19 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.526 0.052 25069 10794 1 19 . 1 1 87 87 ASN C C 87 176.062 176.062 177.392 -1.330 25069 10795 1 19 . 1 1 87 87 ASN CA C 87 56.176 56.176 56.332 -0.156 25069 10796 1 19 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.906 -0.158 25069 10797 1 19 . 1 1 87 87 ASN H H 87 8.328 8.328 7.657 0.671 25069 10798 1 19 . 1 1 88 88 GLU N N 88 117.928 117.928 119.247 -1.319 25069 10799 1 19 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.077 -0.338 25069 10800 1 19 . 1 1 88 88 GLU C C 88 177.870 177.870 178.877 -1.007 25069 10801 1 19 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.112 -0.180 25069 10802 1 19 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.344 -0.063 25069 10803 1 19 . 1 1 88 88 GLU H H 88 7.747 7.747 8.636 -0.889 25069 10804 1 19 . 1 1 89 89 PHE N N 89 116.133 116.133 118.708 -2.575 25069 10805 1 19 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.422 -0.253 25069 10806 1 19 . 1 1 89 89 PHE C C 89 176.404 176.404 176.311 0.093 25069 10807 1 19 . 1 1 89 89 PHE CA C 89 59.056 59.056 58.442 0.614 25069 10808 1 19 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.557 -0.715 25069 10809 1 19 . 1 1 89 89 PHE H H 89 7.465 7.465 7.978 -0.513 25069 10810 1 19 . 1 1 90 90 PHE N N 90 119.130 119.130 121.051 -1.921 25069 10811 1 19 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.089 -0.034 25069 10812 1 19 . 1 1 90 90 PHE C C 90 176.420 176.420 176.496 -0.076 25069 10813 1 19 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.673 -0.903 25069 10814 1 19 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.344 -0.031 25069 10815 1 19 . 1 1 90 90 PHE H H 90 7.537 7.537 7.955 -0.418 25069 10816 1 19 . 1 1 91 91 GLU N N 91 118.971 118.971 117.443 1.528 25069 10817 1 19 . 1 1 91 91 GLU HA H 91 3.740 3.740 3.998 -0.258 25069 10818 1 19 . 1 1 91 91 GLU C C 91 176.491 176.491 177.027 -0.536 25069 10819 1 19 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.926 0.305 25069 10820 1 19 . 1 1 91 91 GLU CB C 91 30.048 30.048 29.926 0.122 25069 10821 1 19 . 1 1 91 91 GLU H H 91 7.938 7.938 7.932 0.006 25069 10822 1 19 . 1 1 92 92 GLY N N 92 105.912 105.912 106.587 -0.675 25069 10823 1 19 . 1 1 92 92 GLY C C 92 173.288 173.288 173.725 -0.437 25069 10824 1 19 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.224 -0.160 25069 10825 1 19 . 1 1 92 92 GLY H H 92 7.201 7.201 7.662 -0.461 25069 10826 1 19 . 1 1 93 93 PHE N N 93 118.877 118.877 115.250 3.627 25069 10827 1 19 . 1 1 93 93 PHE C C 93 174.128 174.128 172.890 1.238 25069 10828 1 19 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.334 1.875 25069 10829 1 19 . 1 1 93 93 PHE CB C 93 38.770 38.770 39.293 -0.523 25069 10830 1 19 . 1 1 93 93 PHE H H 93 7.844 7.844 7.037 0.807 25069 10831 1 19 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.538 -0.332 25069 10832 1 19 . 1 1 94 94 PRO C C 94 176.669 176.669 175.723 0.946 25069 10833 1 19 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.638 0.063 25069 10834 1 19 . 1 1 94 94 PRO CB C 94 31.836 31.836 31.226 0.610 25069 10835 1 19 . 1 1 95 95 ASP N N 95 118.031 118.031 123.801 -5.770 25069 10836 1 19 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.783 -0.376 25069 10837 1 19 . 1 1 95 95 ASP C C 95 176.139 176.139 176.572 -0.433 25069 10838 1 19 . 1 1 95 95 ASP CA C 95 54.481 54.481 52.852 1.629 25069 10839 1 19 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.943 -0.922 25069 10840 1 19 . 1 1 95 95 ASP H H 95 8.144 8.144 9.356 -1.212 25069 10841 1 19 . 1 1 96 96 LYS N N 96 119.472 119.472 118.658 0.814 25069 10842 1 19 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.263 -0.126 25069 10843 1 19 . 1 1 96 96 LYS C C 96 176.212 176.212 176.880 -0.668 25069 10844 1 19 . 1 1 96 96 LYS CA C 96 56.179 56.179 57.536 -1.357 25069 10845 1 19 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.728 0.055 25069 10846 1 19 . 1 1 96 96 LYS H H 96 7.980 7.980 7.593 0.387 25069 10847 1 19 . 1 1 97 97 GLN N N 97 120.185 120.185 118.257 1.928 25069 10848 1 19 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.597 -0.176 25069 10849 1 19 . 1 1 97 97 GLN C C 97 173.700 173.700 175.038 -1.338 25069 10850 1 19 . 1 1 97 97 GLN CA C 97 53.803 53.803 53.445 0.358 25069 10851 1 19 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.076 0.655 25069 10852 1 19 . 1 1 97 97 GLN H H 97 8.007 8.007 7.695 0.312 25069 10853 1 19 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.316 -0.073 25069 10854 1 19 . 1 1 98 98 PRO C C 98 176.605 176.605 177.934 -1.329 25069 10855 1 19 . 1 1 98 98 PRO CA C 98 63.014 63.014 64.339 -1.325 25069 10856 1 19 . 1 1 98 98 PRO CB C 98 31.937 31.937 32.231 -0.294 25069 10857 1 19 . 1 1 99 99 ARG N N 99 120.677 120.677 114.868 5.809 25069 10858 1 19 . 1 1 99 99 ARG HA H 99 4.145 4.145 3.968 0.177 25069 10859 1 19 . 1 1 99 99 ARG C C 99 176.053 176.053 177.500 -1.447 25069 10860 1 19 . 1 1 99 99 ARG CA C 99 55.972 55.972 58.623 -2.651 25069 10861 1 19 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.234 2.660 25069 10862 1 19 . 1 1 99 99 ARG H H 99 8.254 8.254 8.645 -0.391 25069 10863 1 19 . 1 1 100 100 LYS N N 100 122.775 122.775 120.889 1.886 25069 10864 1 19 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.218 -0.074 25069 10865 1 19 . 1 1 100 100 LYS C C 100 175.376 175.376 176.372 -0.996 25069 10866 1 19 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.458 -1.062 25069 10867 1 19 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.559 0.730 25069 10868 1 19 . 1 1 100 100 LYS H H 100 8.230 8.230 7.908 0.322 25069 10869 1 20 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.422 -0.213 25069 10870 1 20 . 1 1 2 2 ALA C C 2 173.983 173.983 177.492 -3.509 25069 10871 1 20 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.663 -0.061 25069 10872 1 20 . 1 1 2 2 ALA CB C 2 19.876 19.876 17.918 1.958 25069 10873 1 20 . 1 1 3 3 SER N N 3 121.630 121.630 120.633 0.997 25069 10874 1 20 . 1 1 3 3 SER C C 3 172.689 172.689 174.011 -1.322 25069 10875 1 20 . 1 1 3 3 SER CA C 3 56.943 56.943 58.454 -1.511 25069 10876 1 20 . 1 1 3 3 SER CB C 3 63.102 63.102 61.513 1.589 25069 10877 1 20 . 1 1 3 3 SER H H 3 9.907 9.907 8.153 1.754 25069 10878 1 20 . 1 1 4 4 PRO C C 4 179.695 179.695 177.894 1.801 25069 10879 1 20 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.520 0.214 25069 10880 1 20 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.466 0.314 25069 10881 1 20 . 1 1 5 5 LEU N N 5 118.522 118.522 118.987 -0.465 25069 10882 1 20 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.975 0.056 25069 10883 1 20 . 1 1 5 5 LEU C C 5 177.968 177.968 178.531 -0.563 25069 10884 1 20 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.395 -0.747 25069 10885 1 20 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.772 0.863 25069 10886 1 20 . 1 1 5 5 LEU H H 5 8.277 8.277 7.441 0.836 25069 10887 1 20 . 1 1 6 6 GLU N N 6 118.997 118.997 118.381 0.616 25069 10888 1 20 . 1 1 6 6 GLU HA H 6 3.696 3.696 4.046 -0.350 25069 10889 1 20 . 1 1 6 6 GLU C C 6 180.177 180.177 179.237 0.940 25069 10890 1 20 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.267 1.072 25069 10891 1 20 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.106 0.728 25069 10892 1 20 . 1 1 6 6 GLU H H 6 8.130 8.130 7.905 0.225 25069 10893 1 20 . 1 1 7 7 LYS N N 7 117.838 117.838 118.609 -0.771 25069 10894 1 20 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.198 -0.202 25069 10895 1 20 . 1 1 7 7 LYS C C 7 178.764 178.764 178.269 0.495 25069 10896 1 20 . 1 1 7 7 LYS CA C 7 59.356 59.356 58.277 1.079 25069 10897 1 20 . 1 1 7 7 LYS CB C 7 32.159 32.159 32.043 0.116 25069 10898 1 20 . 1 1 7 7 LYS H H 7 8.341 8.341 7.753 0.588 25069 10899 1 20 . 1 1 8 8 ALA N N 8 122.327 122.327 121.301 1.026 25069 10900 1 20 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.241 -0.262 25069 10901 1 20 . 1 1 8 8 ALA C C 8 179.482 179.482 179.337 0.145 25069 10902 1 20 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.420 0.747 25069 10903 1 20 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.200 0.094 25069 10904 1 20 . 1 1 8 8 ALA H H 8 8.082 8.082 7.107 0.975 25069 10905 1 20 . 1 1 9 9 LEU N N 9 118.212 118.212 117.569 0.643 25069 10906 1 20 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.890 0.057 25069 10907 1 20 . 1 1 9 9 LEU C C 9 178.844 178.844 178.375 0.469 25069 10908 1 20 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.551 0.658 25069 10909 1 20 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.064 0.552 25069 10910 1 20 . 1 1 9 9 LEU H H 9 8.042 8.042 7.901 0.141 25069 10911 1 20 . 1 1 10 10 ASP N N 10 117.997 117.997 119.531 -1.534 25069 10912 1 20 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.443 -0.056 25069 10913 1 20 . 1 1 10 10 ASP C C 10 179.582 179.582 178.702 0.880 25069 10914 1 20 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.556 0.214 25069 10915 1 20 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.157 -0.163 25069 10916 1 20 . 1 1 10 10 ASP H H 10 7.587 7.587 7.625 -0.038 25069 10917 1 20 . 1 1 11 11 VAL N N 11 120.702 120.702 119.273 1.429 25069 10918 1 20 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.842 -0.105 25069 10919 1 20 . 1 1 11 11 VAL C C 11 180.061 180.061 177.574 2.487 25069 10920 1 20 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.395 0.749 25069 10921 1 20 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.078 0.548 25069 10922 1 20 . 1 1 11 11 VAL H H 11 8.099 8.099 7.538 0.561 25069 10923 1 20 . 1 1 12 12 MET N N 12 123.185 123.185 120.429 2.756 25069 10924 1 20 . 1 1 12 12 MET HA H 12 3.921 3.921 4.499 -0.578 25069 10925 1 20 . 1 1 12 12 MET C C 12 178.871 178.871 178.395 0.476 25069 10926 1 20 . 1 1 12 12 MET CA C 12 60.784 60.784 59.208 1.576 25069 10927 1 20 . 1 1 12 12 MET CB C 12 32.579 32.579 32.227 0.352 25069 10928 1 20 . 1 1 12 12 MET H H 12 8.454 8.454 7.834 0.620 25069 10929 1 20 . 1 1 13 13 VAL N N 13 118.900 118.900 120.559 -1.659 25069 10930 1 20 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.938 -0.013 25069 10931 1 20 . 1 1 13 13 VAL C C 13 177.712 177.712 178.038 -0.326 25069 10932 1 20 . 1 1 13 13 VAL CA C 13 66.680 66.680 67.562 -0.882 25069 10933 1 20 . 1 1 13 13 VAL CB C 13 33.247 33.247 31.130 2.117 25069 10934 1 20 . 1 1 13 13 VAL H H 13 8.117 8.117 7.809 0.308 25069 10935 1 20 . 1 1 14 14 SER N N 14 114.675 114.675 114.571 0.104 25069 10936 1 20 . 1 1 14 14 SER HA H 14 3.966 3.966 4.127 -0.161 25069 10937 1 20 . 1 1 14 14 SER C C 14 178.306 178.306 176.474 1.832 25069 10938 1 20 . 1 1 14 14 SER CA C 14 61.937 61.937 60.691 1.246 25069 10939 1 20 . 1 1 14 14 SER CB C 14 62.474 62.474 62.750 -0.276 25069 10940 1 20 . 1 1 14 14 SER H H 14 8.935 8.935 7.684 1.251 25069 10941 1 20 . 1 1 15 15 THR N N 15 117.582 117.582 116.649 0.933 25069 10942 1 20 . 1 1 15 15 THR HA H 15 4.190 4.190 3.927 0.263 25069 10943 1 20 . 1 1 15 15 THR C C 15 174.459 174.459 176.464 -2.005 25069 10944 1 20 . 1 1 15 15 THR CA C 15 67.683 67.683 65.806 1.877 25069 10945 1 20 . 1 1 15 15 THR CB C 15 68.187 68.187 68.752 -0.565 25069 10946 1 20 . 1 1 15 15 THR H H 15 8.543 8.543 8.393 0.150 25069 10947 1 20 . 1 1 16 16 PHE N N 16 118.606 118.606 124.750 -6.144 25069 10948 1 20 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.605 -0.236 25069 10949 1 20 . 1 1 16 16 PHE C C 16 176.480 176.480 176.532 -0.052 25069 10950 1 20 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.860 0.621 25069 10951 1 20 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.727 0.509 25069 10952 1 20 . 1 1 16 16 PHE H H 16 6.809 6.809 7.966 -1.157 25069 10953 1 20 . 1 1 17 17 HIS N N 17 114.536 114.536 116.061 -1.525 25069 10954 1 20 . 1 1 17 17 HIS HA H 17 4.726 4.726 3.909 0.817 25069 10955 1 20 . 1 1 17 17 HIS C C 17 177.124 177.124 177.492 -0.368 25069 10956 1 20 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.397 0.330 25069 10957 1 20 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.047 1.101 25069 10958 1 20 . 1 1 17 17 HIS H H 17 6.955 6.955 7.887 -0.932 25069 10959 1 20 . 1 1 18 18 LYS N N 18 120.739 120.739 119.642 1.097 25069 10960 1 20 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.796 -0.078 25069 10961 1 20 . 1 1 18 18 LYS C C 18 177.006 177.006 176.784 0.222 25069 10962 1 20 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.728 0.140 25069 10963 1 20 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.031 0.083 25069 10964 1 20 . 1 1 18 18 LYS H H 18 7.820 7.820 7.525 0.295 25069 10965 1 20 . 1 1 19 19 TYR N N 19 112.545 112.545 114.245 -1.700 25069 10966 1 20 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.416 -0.277 25069 10967 1 20 . 1 1 19 19 TYR C C 19 176.218 176.218 177.060 -0.842 25069 10968 1 20 . 1 1 19 19 TYR CA C 19 59.898 59.898 58.882 1.016 25069 10969 1 20 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.284 1.173 25069 10970 1 20 . 1 1 19 19 TYR H H 19 6.730 6.730 7.504 -0.774 25069 10971 1 20 . 1 1 20 20 SER N N 20 113.404 113.404 114.826 -1.422 25069 10972 1 20 . 1 1 20 20 SER HA H 20 3.385 3.385 4.416 -1.031 25069 10973 1 20 . 1 1 20 20 SER C C 20 176.961 176.961 175.889 1.072 25069 10974 1 20 . 1 1 20 20 SER CA C 20 61.866 61.866 59.665 2.201 25069 10975 1 20 . 1 1 20 20 SER CB C 20 60.904 60.904 62.990 -2.086 25069 10976 1 20 . 1 1 20 20 SER H H 20 8.493 8.493 7.781 0.712 25069 10977 1 20 . 1 1 21 21 GLY N N 21 109.001 109.001 108.583 0.418 25069 10978 1 20 . 1 1 21 21 GLY C C 21 173.502 173.502 174.536 -1.034 25069 10979 1 20 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.882 0.657 25069 10980 1 20 . 1 1 21 21 GLY H H 21 7.512 7.512 7.569 -0.057 25069 10981 1 20 . 1 1 22 22 LYS N N 22 120.754 120.754 119.609 1.145 25069 10982 1 20 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.330 -0.534 25069 10983 1 20 . 1 1 22 22 LYS C C 22 177.354 177.354 176.420 0.934 25069 10984 1 20 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.282 2.725 25069 10985 1 20 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.859 -0.876 25069 10986 1 20 . 1 1 22 22 LYS H H 22 6.958 6.958 7.972 -1.014 25069 10987 1 20 . 1 1 23 23 GLU N N 23 115.305 115.305 119.460 -4.155 25069 10988 1 20 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.473 -0.015 25069 10989 1 20 . 1 1 23 23 GLU C C 23 176.733 176.733 176.425 0.308 25069 10990 1 20 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.122 -0.687 25069 10991 1 20 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.135 3.219 25069 10992 1 20 . 1 1 23 23 GLU H H 23 9.425 9.425 8.830 0.595 25069 10993 1 20 . 1 1 24 24 GLY N N 24 112.542 112.542 115.603 -3.061 25069 10994 1 20 . 1 1 24 24 GLY C C 24 173.486 173.486 174.364 -0.878 25069 10995 1 20 . 1 1 24 24 GLY CA C 24 46.342 46.342 46.244 0.098 25069 10996 1 20 . 1 1 24 24 GLY H H 24 8.879 8.879 8.714 0.165 25069 10997 1 20 . 1 1 25 25 ASP N N 25 125.117 125.117 123.140 1.977 25069 10998 1 20 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.964 -0.681 25069 10999 1 20 . 1 1 25 25 ASP C C 25 179.177 179.177 175.997 3.180 25069 11000 1 20 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.316 1.798 25069 11001 1 20 . 1 1 25 25 ASP CB C 25 41.736 41.736 41.988 -0.252 25069 11002 1 20 . 1 1 25 25 ASP H H 25 8.423 8.423 8.067 0.356 25069 11003 1 20 . 1 1 26 26 LYS N N 26 131.175 131.175 117.170 14.005 25069 11004 1 20 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.542 -0.346 25069 11005 1 20 . 1 1 26 26 LYS C C 26 176.638 176.638 174.806 1.832 25069 11006 1 20 . 1 1 26 26 LYS CA C 26 57.968 57.968 55.389 2.579 25069 11007 1 20 . 1 1 26 26 LYS CB C 26 31.223 31.223 33.508 -2.285 25069 11008 1 20 . 1 1 26 26 LYS H H 26 9.247 9.247 8.761 0.486 25069 11009 1 20 . 1 1 27 27 PHE N N 27 118.593 118.593 115.808 2.785 25069 11010 1 20 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.990 -0.291 25069 11011 1 20 . 1 1 27 27 PHE C C 27 173.452 173.452 174.230 -0.778 25069 11012 1 20 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.849 -1.817 25069 11013 1 20 . 1 1 27 27 PHE CB C 27 39.091 39.091 41.012 -1.921 25069 11014 1 20 . 1 1 27 27 PHE H H 27 9.335 9.335 8.093 1.242 25069 11015 1 20 . 1 1 28 28 LYS N N 28 113.854 113.854 119.473 -5.619 25069 11016 1 20 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.304 -0.300 25069 11017 1 20 . 1 1 28 28 LYS C C 28 174.468 174.468 175.136 -0.668 25069 11018 1 20 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.307 -0.020 25069 11019 1 20 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.577 1.441 25069 11020 1 20 . 1 1 28 28 LYS H H 28 6.985 6.985 7.729 -0.744 25069 11021 1 20 . 1 1 29 29 LEU N N 29 124.858 124.858 124.838 0.020 25069 11022 1 20 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.919 0.094 25069 11023 1 20 . 1 1 29 29 LEU C C 29 175.791 175.791 176.563 -0.772 25069 11024 1 20 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.325 -0.726 25069 11025 1 20 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.247 1.310 25069 11026 1 20 . 1 1 29 29 LEU H H 29 9.454 9.454 9.072 0.382 25069 11027 1 20 . 1 1 30 30 ASN N N 30 122.896 122.896 122.645 0.251 25069 11028 1 20 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.165 -0.587 25069 11029 1 20 . 1 1 30 30 ASN C C 30 174.969 174.969 176.673 -1.704 25069 11030 1 20 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.145 -1.047 25069 11031 1 20 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.509 -2.151 25069 11032 1 20 . 1 1 30 30 ASN H H 30 9.560 9.560 8.181 1.379 25069 11033 1 20 . 1 1 31 31 LYS N N 31 115.136 115.136 119.854 -4.718 25069 11034 1 20 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.830 0.040 25069 11035 1 20 . 1 1 31 31 LYS C C 31 177.992 177.992 178.371 -0.379 25069 11036 1 20 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.829 0.206 25069 11037 1 20 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.902 0.303 25069 11038 1 20 . 1 1 31 31 LYS H H 31 8.204 8.204 8.615 -0.411 25069 11039 1 20 . 1 1 32 32 SER N N 32 113.755 113.755 114.100 -0.345 25069 11040 1 20 . 1 1 32 32 SER HA H 32 3.939 3.939 4.069 -0.130 25069 11041 1 20 . 1 1 32 32 SER C C 32 177.484 177.484 176.406 1.078 25069 11042 1 20 . 1 1 32 32 SER CA C 32 61.374 61.374 61.656 -0.282 25069 11043 1 20 . 1 1 32 32 SER CB C 32 62.733 62.733 62.613 0.120 25069 11044 1 20 . 1 1 32 32 SER H H 32 7.575 7.575 8.219 -0.644 25069 11045 1 20 . 1 1 33 33 GLU N N 33 122.657 122.657 122.014 0.643 25069 11046 1 20 . 1 1 33 33 GLU HA H 33 3.913 3.913 3.961 -0.048 25069 11047 1 20 . 1 1 33 33 GLU C C 33 178.560 178.560 178.901 -0.341 25069 11048 1 20 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.845 -0.003 25069 11049 1 20 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.541 1.658 25069 11050 1 20 . 1 1 33 33 GLU H H 33 8.608 8.608 7.626 0.982 25069 11051 1 20 . 1 1 34 34 LEU N N 34 117.375 117.375 122.151 -4.776 25069 11052 1 20 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.814 -0.009 25069 11053 1 20 . 1 1 34 34 LEU C C 34 177.693 177.693 178.025 -0.332 25069 11054 1 20 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.525 -0.749 25069 11055 1 20 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.776 -0.080 25069 11056 1 20 . 1 1 34 34 LEU H H 34 8.859 8.859 8.678 0.181 25069 11057 1 20 . 1 1 35 35 LYS N N 35 117.418 117.418 118.147 -0.729 25069 11058 1 20 . 1 1 35 35 LYS HA H 35 3.526 3.526 1.957 1.569 25069 11059 1 20 . 1 1 35 35 LYS C C 35 179.129 179.129 178.457 0.672 25069 11060 1 20 . 1 1 35 35 LYS CA C 35 60.166 60.166 59.621 0.545 25069 11061 1 20 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.412 0.347 25069 11062 1 20 . 1 1 35 35 LYS H H 35 7.901 7.901 8.043 -0.142 25069 11063 1 20 . 1 1 36 36 GLU N N 36 120.491 120.491 119.146 1.345 25069 11064 1 20 . 1 1 36 36 GLU HA H 36 3.719 3.719 3.880 -0.161 25069 11065 1 20 . 1 1 36 36 GLU C C 36 176.354 176.354 179.451 -3.097 25069 11066 1 20 . 1 1 36 36 GLU CA C 36 59.969 59.969 58.810 1.159 25069 11067 1 20 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.387 0.007 25069 11068 1 20 . 1 1 36 36 GLU H H 36 7.619 7.619 7.387 0.232 25069 11069 1 20 . 1 1 37 37 LEU N N 37 120.058 120.058 122.081 -2.023 25069 11070 1 20 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.531 -1.106 25069 11071 1 20 . 1 1 37 37 LEU C C 37 179.412 179.412 178.734 0.678 25069 11072 1 20 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.708 1.729 25069 11073 1 20 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.943 -0.139 25069 11074 1 20 . 1 1 37 37 LEU H H 37 7.762 7.762 8.236 -0.474 25069 11075 1 20 . 1 1 38 38 LEU N N 38 116.987 116.987 119.076 -2.089 25069 11076 1 20 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.174 -0.509 25069 11077 1 20 . 1 1 38 38 LEU C C 38 178.279 178.279 179.485 -1.206 25069 11078 1 20 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.338 0.340 25069 11079 1 20 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.980 1.334 25069 11080 1 20 . 1 1 38 38 LEU H H 38 8.532 8.532 8.512 0.020 25069 11081 1 20 . 1 1 39 39 THR N N 39 108.650 108.650 110.216 -1.566 25069 11082 1 20 . 1 1 39 39 THR HA H 39 3.693 3.693 3.997 -0.304 25069 11083 1 20 . 1 1 39 39 THR C C 39 176.231 176.231 176.609 -0.378 25069 11084 1 20 . 1 1 39 39 THR CA C 39 65.997 65.997 65.855 0.142 25069 11085 1 20 . 1 1 39 39 THR CB C 39 69.618 69.618 69.002 0.616 25069 11086 1 20 . 1 1 39 39 THR H H 39 7.883 7.883 8.426 -0.543 25069 11087 1 20 . 1 1 40 40 ARG N N 40 115.482 115.482 118.036 -2.554 25069 11088 1 20 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.458 -0.306 25069 11089 1 20 . 1 1 40 40 ARG C C 40 178.520 178.520 178.019 0.501 25069 11090 1 20 . 1 1 40 40 ARG CA C 40 58.035 58.035 57.579 0.456 25069 11091 1 20 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.534 0.711 25069 11092 1 20 . 1 1 40 40 ARG H H 40 8.015 8.015 8.120 -0.105 25069 11093 1 20 . 1 1 41 41 GLU N N 41 112.106 112.106 118.601 -6.495 25069 11094 1 20 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.471 0.363 25069 11095 1 20 . 1 1 41 41 GLU C C 41 177.856 177.856 176.901 0.955 25069 11096 1 20 . 1 1 41 41 GLU CA C 41 55.198 55.198 57.139 -1.941 25069 11097 1 20 . 1 1 41 41 GLU CB C 41 30.321 30.321 31.098 -0.777 25069 11098 1 20 . 1 1 41 41 GLU H H 41 8.463 8.463 8.446 0.017 25069 11099 1 20 . 1 1 42 42 LEU N N 42 119.287 119.287 121.534 -2.247 25069 11100 1 20 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.977 0.075 25069 11101 1 20 . 1 1 42 42 LEU C C 42 174.457 174.457 174.541 -0.084 25069 11102 1 20 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.433 0.405 25069 11103 1 20 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.205 1.878 25069 11104 1 20 . 1 1 42 42 LEU H H 42 7.688 7.688 7.832 -0.144 25069 11105 1 20 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.342 -0.138 25069 11106 1 20 . 1 1 43 43 PRO C C 43 179.969 179.969 178.790 1.179 25069 11107 1 20 . 1 1 43 43 PRO CA C 43 65.689 65.689 66.065 -0.376 25069 11108 1 20 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.996 -1.169 25069 11109 1 20 . 1 1 44 44 SER N N 44 114.352 114.352 113.377 0.975 25069 11110 1 20 . 1 1 44 44 SER HA H 44 4.093 4.093 4.214 -0.121 25069 11111 1 20 . 1 1 44 44 SER C C 44 175.709 175.709 176.321 -0.612 25069 11112 1 20 . 1 1 44 44 SER CA C 44 60.793 60.793 61.286 -0.493 25069 11113 1 20 . 1 1 44 44 SER CB C 44 62.400 62.400 62.883 -0.483 25069 11114 1 20 . 1 1 44 44 SER H H 44 8.674 8.674 8.437 0.237 25069 11115 1 20 . 1 1 45 45 PHE N N 45 121.558 121.558 119.617 1.941 25069 11116 1 20 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.231 -0.079 25069 11117 1 20 . 1 1 45 45 PHE C C 45 176.441 176.441 177.044 -0.603 25069 11118 1 20 . 1 1 45 45 PHE CA C 45 60.334 60.334 60.904 -0.570 25069 11119 1 20 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.235 0.554 25069 11120 1 20 . 1 1 45 45 PHE H H 45 7.952 7.952 8.150 -0.198 25069 11121 1 20 . 1 1 46 46 LEU N N 46 117.590 117.590 117.999 -0.409 25069 11122 1 20 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.336 -0.500 25069 11123 1 20 . 1 1 46 46 LEU C C 46 178.236 178.236 179.101 -0.865 25069 11124 1 20 . 1 1 46 46 LEU CA C 46 56.144 56.144 55.780 0.364 25069 11125 1 20 . 1 1 46 46 LEU CB C 46 42.516 42.516 42.403 0.113 25069 11126 1 20 . 1 1 46 46 LEU H H 46 7.906 7.906 8.328 -0.422 25069 11127 1 20 . 1 1 47 47 GLY N N 47 104.817 104.817 107.721 -2.904 25069 11128 1 20 . 1 1 47 47 GLY C C 47 174.665 174.665 175.740 -1.075 25069 11129 1 20 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.610 -0.625 25069 11130 1 20 . 1 1 47 47 GLY H H 47 7.646 7.646 7.835 -0.189 25069 11131 1 20 . 1 1 48 48 LYS N N 48 120.422 120.422 120.070 0.352 25069 11132 1 20 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.055 0.097 25069 11133 1 20 . 1 1 48 48 LYS C C 48 177.029 177.029 176.633 0.396 25069 11134 1 20 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.391 -0.911 25069 11135 1 20 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.929 -0.677 25069 11136 1 20 . 1 1 48 48 LYS H H 48 8.400 8.400 7.237 1.163 25069 11137 1 20 . 1 1 49 49 ARG N N 49 119.815 119.815 118.889 0.926 25069 11138 1 20 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.432 -0.129 25069 11139 1 20 . 1 1 49 49 ARG C C 49 175.183 175.183 174.282 0.901 25069 11140 1 20 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.603 0.096 25069 11141 1 20 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.038 -1.531 25069 11142 1 20 . 1 1 49 49 ARG H H 49 7.801 7.801 7.879 -0.078 25069 11143 1 20 . 1 1 50 50 THR N N 50 110.525 110.525 116.471 -5.946 25069 11144 1 20 . 1 1 50 50 THR HA H 50 4.091 4.091 4.089 0.002 25069 11145 1 20 . 1 1 50 50 THR C C 50 174.108 174.108 173.723 0.385 25069 11146 1 20 . 1 1 50 50 THR CA C 50 61.579 61.579 61.672 -0.093 25069 11147 1 20 . 1 1 50 50 THR CB C 50 69.136 69.136 68.177 0.960 25069 11148 1 20 . 1 1 50 50 THR H H 50 7.808 7.808 8.292 -0.484 25069 11149 1 20 . 1 1 51 51 ASP N N 51 121.073 121.073 123.989 -2.916 25069 11150 1 20 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.874 -0.314 25069 11151 1 20 . 1 1 51 51 ASP C C 51 175.715 175.715 176.394 -0.679 25069 11152 1 20 . 1 1 51 51 ASP CA C 51 53.054 53.054 52.331 0.723 25069 11153 1 20 . 1 1 51 51 ASP CB C 51 41.811 41.811 44.142 -2.331 25069 11154 1 20 . 1 1 51 51 ASP H H 51 7.924 7.924 7.325 0.599 25069 11155 1 20 . 1 1 52 52 GLU N N 52 120.418 120.418 123.353 -2.935 25069 11156 1 20 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.234 -0.192 25069 11157 1 20 . 1 1 52 52 GLU C C 52 178.726 178.726 178.308 0.418 25069 11158 1 20 . 1 1 52 52 GLU CA C 52 59.560 59.560 60.151 -0.591 25069 11159 1 20 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.668 -0.284 25069 11160 1 20 . 1 1 52 52 GLU H H 52 8.515 8.515 8.983 -0.468 25069 11161 1 20 . 1 1 53 53 ALA N N 53 120.807 120.807 120.863 -0.056 25069 11162 1 20 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.148 -0.112 25069 11163 1 20 . 1 1 53 53 ALA C C 53 180.416 180.416 179.096 1.320 25069 11164 1 20 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.853 0.288 25069 11165 1 20 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.126 -0.182 25069 11166 1 20 . 1 1 53 53 ALA H H 53 8.242 8.242 8.742 -0.500 25069 11167 1 20 . 1 1 54 54 ALA N N 54 121.069 121.069 122.345 -1.276 25069 11168 1 20 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.100 -0.173 25069 11169 1 20 . 1 1 54 54 ALA C C 54 180.846 180.846 179.494 1.352 25069 11170 1 20 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.606 0.371 25069 11171 1 20 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.178 0.159 25069 11172 1 20 . 1 1 54 54 ALA H H 54 7.874 7.874 7.404 0.469 25069 11173 1 20 . 1 1 55 55 PHE N N 55 118.066 118.066 117.948 0.118 25069 11174 1 20 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.140 -0.173 25069 11175 1 20 . 1 1 55 55 PHE C C 55 177.160 177.160 178.120 -0.960 25069 11176 1 20 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.810 0.219 25069 11177 1 20 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.093 0.739 25069 11178 1 20 . 1 1 55 55 PHE H H 55 8.013 8.013 8.400 -0.387 25069 11179 1 20 . 1 1 56 56 GLN N N 56 118.474 118.474 120.111 -1.637 25069 11180 1 20 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.947 -0.207 25069 11181 1 20 . 1 1 56 56 GLN C C 56 178.531 178.531 177.982 0.549 25069 11182 1 20 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.271 -0.439 25069 11183 1 20 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.502 -0.648 25069 11184 1 20 . 1 1 56 56 GLN H H 56 8.265 8.265 8.384 -0.119 25069 11185 1 20 . 1 1 57 57 LYS N N 57 119.207 119.207 119.807 -0.600 25069 11186 1 20 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.094 -0.241 25069 11187 1 20 . 1 1 57 57 LYS C C 57 178.458 178.458 179.093 -0.635 25069 11188 1 20 . 1 1 57 57 LYS CA C 57 59.077 59.077 59.019 0.058 25069 11189 1 20 . 1 1 57 57 LYS CB C 57 32.134 32.134 31.797 0.337 25069 11190 1 20 . 1 1 57 57 LYS H H 57 7.622 7.622 7.807 -0.185 25069 11191 1 20 . 1 1 58 58 LEU N N 58 119.398 119.398 122.509 -3.111 25069 11192 1 20 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.996 -0.091 25069 11193 1 20 . 1 1 58 58 LEU C C 58 178.444 178.444 178.692 -0.248 25069 11194 1 20 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.784 0.337 25069 11195 1 20 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.512 0.142 25069 11196 1 20 . 1 1 58 58 LEU H H 58 7.504 7.504 8.456 -0.952 25069 11197 1 20 . 1 1 59 59 MET N N 59 116.434 116.434 119.866 -3.432 25069 11198 1 20 . 1 1 59 59 MET HA H 59 3.614 3.614 3.928 -0.314 25069 11199 1 20 . 1 1 59 59 MET C C 59 177.513 177.513 178.120 -0.607 25069 11200 1 20 . 1 1 59 59 MET CA C 59 58.765 58.765 58.984 -0.219 25069 11201 1 20 . 1 1 59 59 MET CB C 59 31.060 31.060 31.742 -0.682 25069 11202 1 20 . 1 1 59 59 MET H H 59 8.049 8.049 8.465 -0.416 25069 11203 1 20 . 1 1 60 60 SER N N 60 111.447 111.447 114.349 -2.902 25069 11204 1 20 . 1 1 60 60 SER HA H 60 4.066 4.066 4.159 -0.093 25069 11205 1 20 . 1 1 60 60 SER C C 60 175.986 175.986 176.972 -0.986 25069 11206 1 20 . 1 1 60 60 SER CA C 60 61.416 61.416 61.376 0.040 25069 11207 1 20 . 1 1 60 60 SER CB C 60 62.945 62.945 62.324 0.621 25069 11208 1 20 . 1 1 60 60 SER H H 60 7.839 7.839 8.160 -0.321 25069 11209 1 20 . 1 1 61 61 ASN N N 61 117.559 117.559 120.141 -2.582 25069 11210 1 20 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.558 -0.208 25069 11211 1 20 . 1 1 61 61 ASN C C 61 176.377 176.377 176.705 -0.328 25069 11212 1 20 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.549 -0.546 25069 11213 1 20 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.482 0.391 25069 11214 1 20 . 1 1 61 61 ASN H H 61 7.615 7.615 7.865 -0.250 25069 11215 1 20 . 1 1 62 62 LEU N N 62 117.926 117.926 116.696 1.230 25069 11216 1 20 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.337 -0.308 25069 11217 1 20 . 1 1 62 62 LEU C C 62 178.394 178.394 178.141 0.253 25069 11218 1 20 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.248 0.749 25069 11219 1 20 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.309 1.093 25069 11220 1 20 . 1 1 62 62 LEU H H 62 7.719 7.719 7.868 -0.149 25069 11221 1 20 . 1 1 63 63 ASP N N 63 115.899 115.899 119.239 -3.340 25069 11222 1 20 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.784 -0.216 25069 11223 1 20 . 1 1 63 63 ASP C C 63 176.866 176.866 176.112 0.754 25069 11224 1 20 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.231 -1.491 25069 11225 1 20 . 1 1 63 63 ASP CB C 63 39.486 39.486 39.929 -0.443 25069 11226 1 20 . 1 1 63 63 ASP H H 63 7.707 7.707 8.515 -0.808 25069 11227 1 20 . 1 1 64 64 SER N N 64 121.158 121.158 121.034 0.124 25069 11228 1 20 . 1 1 64 64 SER HA H 64 4.080 4.080 4.368 -0.288 25069 11229 1 20 . 1 1 64 64 SER C C 64 175.780 175.780 175.575 0.205 25069 11230 1 20 . 1 1 64 64 SER CA C 64 60.698 60.698 59.629 1.069 25069 11231 1 20 . 1 1 64 64 SER CB C 64 63.034 63.034 63.385 -0.351 25069 11232 1 20 . 1 1 64 64 SER H H 64 8.034 8.034 8.531 -0.497 25069 11233 1 20 . 1 1 65 65 ASN N N 65 115.443 115.443 118.841 -3.398 25069 11234 1 20 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.589 0.075 25069 11235 1 20 . 1 1 65 65 ASN C C 65 174.775 174.775 175.524 -0.749 25069 11236 1 20 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.883 -1.884 25069 11237 1 20 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.834 -1.663 25069 11238 1 20 . 1 1 65 65 ASN H H 65 8.055 8.055 8.525 -0.470 25069 11239 1 20 . 1 1 66 66 ARG N N 66 114.242 114.242 117.099 -2.857 25069 11240 1 20 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.397 -0.470 25069 11241 1 20 . 1 1 66 66 ARG C C 66 175.354 175.354 174.936 0.418 25069 11242 1 20 . 1 1 66 66 ARG CA C 66 57.159 57.159 56.878 0.281 25069 11243 1 20 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.236 -0.383 25069 11244 1 20 . 1 1 66 66 ARG H H 66 7.560 7.560 8.274 -0.714 25069 11245 1 20 . 1 1 67 67 ASP N N 67 118.260 118.260 119.890 -1.630 25069 11246 1 20 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.805 -0.203 25069 11247 1 20 . 1 1 67 67 ASP C C 67 177.143 177.143 175.455 1.688 25069 11248 1 20 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.261 -0.242 25069 11249 1 20 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.698 -0.994 25069 11250 1 20 . 1 1 67 67 ASP H H 67 8.406 8.406 8.462 -0.056 25069 11251 1 20 . 1 1 68 68 ASN N N 68 115.091 115.091 115.388 -0.297 25069 11252 1 20 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.401 -0.422 25069 11253 1 20 . 1 1 68 68 ASN C C 68 173.046 173.046 173.497 -0.451 25069 11254 1 20 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.652 0.685 25069 11255 1 20 . 1 1 68 68 ASN CB C 68 37.890 37.890 38.042 -0.152 25069 11256 1 20 . 1 1 68 68 ASN H H 68 10.021 10.021 8.987 1.034 25069 11257 1 20 . 1 1 69 69 GLU N N 69 115.671 115.671 116.898 -1.227 25069 11258 1 20 . 1 1 69 69 GLU HA H 69 4.698 4.698 5.089 -0.391 25069 11259 1 20 . 1 1 69 69 GLU C C 69 175.335 175.335 175.149 0.186 25069 11260 1 20 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.844 0.027 25069 11261 1 20 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.059 2.574 25069 11262 1 20 . 1 1 69 69 GLU H H 69 7.724 7.724 8.011 -0.287 25069 11263 1 20 . 1 1 70 70 VAL N N 70 124.606 124.606 125.816 -1.210 25069 11264 1 20 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.297 0.838 25069 11265 1 20 . 1 1 70 70 VAL C C 70 175.876 175.876 176.042 -0.166 25069 11266 1 20 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.929 -1.787 25069 11267 1 20 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.646 0.911 25069 11268 1 20 . 1 1 70 70 VAL H H 70 9.814 9.814 8.773 1.041 25069 11269 1 20 . 1 1 71 71 ASP N N 71 127.612 127.612 127.359 0.253 25069 11270 1 20 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.548 -0.523 25069 11271 1 20 . 1 1 71 71 ASP C C 71 175.018 175.018 177.605 -2.587 25069 11272 1 20 . 1 1 71 71 ASP CA C 71 52.561 52.561 52.657 -0.096 25069 11273 1 20 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.996 -1.017 25069 11274 1 20 . 1 1 71 71 ASP H H 71 8.896 8.896 9.484 -0.588 25069 11275 1 20 . 1 1 72 72 PHE N N 72 117.738 117.738 118.040 -0.302 25069 11276 1 20 . 1 1 72 72 PHE C C 72 177.390 177.390 177.698 -0.308 25069 11277 1 20 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.664 0.362 25069 11278 1 20 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.683 0.545 25069 11279 1 20 . 1 1 72 72 PHE H H 72 8.993 8.993 8.273 0.720 25069 11280 1 20 . 1 1 73 73 GLN N N 73 120.479 120.479 117.802 2.677 25069 11281 1 20 . 1 1 73 73 GLN HA H 73 3.804 3.804 4.076 -0.272 25069 11282 1 20 . 1 1 73 73 GLN C C 73 178.583 178.583 178.252 0.331 25069 11283 1 20 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.140 0.920 25069 11284 1 20 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.734 -0.906 25069 11285 1 20 . 1 1 73 73 GLN H H 73 8.246 8.246 9.375 -1.129 25069 11286 1 20 . 1 1 74 74 GLU N N 74 120.179 120.179 119.968 0.211 25069 11287 1 20 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.038 -0.194 25069 11288 1 20 . 1 1 74 74 GLU C C 74 180.584 180.584 179.307 1.277 25069 11289 1 20 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.437 -0.424 25069 11290 1 20 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.589 0.817 25069 11291 1 20 . 1 1 74 74 GLU H H 74 8.782 8.782 9.302 -0.520 25069 11292 1 20 . 1 1 75 75 TYR N N 75 122.109 122.109 120.633 1.476 25069 11293 1 20 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.416 -0.404 25069 11294 1 20 . 1 1 75 75 TYR C C 75 175.383 175.383 177.253 -1.870 25069 11295 1 20 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.559 -0.336 25069 11296 1 20 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.698 0.092 25069 11297 1 20 . 1 1 75 75 TYR H H 75 8.619 8.619 8.516 0.103 25069 11298 1 20 . 1 1 76 76 SER N N 76 117.790 117.790 115.624 2.166 25069 11299 1 20 . 1 1 76 76 SER HA H 76 3.326 3.326 3.888 -0.562 25069 11300 1 20 . 1 1 76 76 SER C C 76 176.930 176.930 176.852 0.078 25069 11301 1 20 . 1 1 76 76 SER CA C 76 62.377 62.377 61.410 0.967 25069 11302 1 20 . 1 1 76 76 SER CB C 76 62.573 62.573 62.570 0.003 25069 11303 1 20 . 1 1 76 76 SER H H 76 8.654 8.654 8.153 0.501 25069 11304 1 20 . 1 1 77 77 VAL N N 77 123.033 123.033 122.750 0.283 25069 11305 1 20 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.758 -0.179 25069 11306 1 20 . 1 1 77 77 VAL C C 77 178.969 178.969 177.928 1.041 25069 11307 1 20 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.202 -0.106 25069 11308 1 20 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.624 0.353 25069 11309 1 20 . 1 1 77 77 VAL H H 77 7.844 7.844 8.630 -0.786 25069 11310 1 20 . 1 1 78 78 PHE N N 78 121.473 121.473 121.593 -0.120 25069 11311 1 20 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.076 0.272 25069 11312 1 20 . 1 1 78 78 PHE C C 78 177.726 177.726 176.765 0.961 25069 11313 1 20 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.947 -1.618 25069 11314 1 20 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.694 -0.150 25069 11315 1 20 . 1 1 78 78 PHE H H 78 7.439 7.439 7.605 -0.166 25069 11316 1 20 . 1 1 79 79 LEU N N 79 118.574 118.574 117.624 0.950 25069 11317 1 20 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.110 0.120 25069 11318 1 20 . 1 1 79 79 LEU C C 79 178.837 178.837 178.908 -0.071 25069 11319 1 20 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.780 -0.050 25069 11320 1 20 . 1 1 79 79 LEU CB C 79 40.452 40.452 41.018 -0.566 25069 11321 1 20 . 1 1 79 79 LEU H H 79 8.298 8.298 8.064 0.234 25069 11322 1 20 . 1 1 80 80 SER N N 80 112.827 112.827 115.416 -2.589 25069 11323 1 20 . 1 1 80 80 SER HA H 80 3.978 3.978 4.026 -0.048 25069 11324 1 20 . 1 1 80 80 SER C C 80 175.796 175.796 176.708 -0.912 25069 11325 1 20 . 1 1 80 80 SER CA C 80 62.278 62.278 61.774 0.504 25069 11326 1 20 . 1 1 80 80 SER CB C 80 63.148 63.148 62.624 0.524 25069 11327 1 20 . 1 1 80 80 SER H H 80 7.728 7.728 8.183 -0.455 25069 11328 1 20 . 1 1 81 81 SER N N 81 117.584 117.584 119.774 -2.190 25069 11329 1 20 . 1 1 81 81 SER HA H 81 4.151 4.151 4.233 -0.082 25069 11330 1 20 . 1 1 81 81 SER C C 81 176.761 176.761 176.709 0.052 25069 11331 1 20 . 1 1 81 81 SER CA C 81 61.673 61.673 62.187 -0.514 25069 11332 1 20 . 1 1 81 81 SER CB C 81 62.441 62.441 62.658 -0.217 25069 11333 1 20 . 1 1 81 81 SER H H 81 7.703 7.703 8.201 -0.498 25069 11334 1 20 . 1 1 82 82 ILE N N 82 122.194 122.194 122.420 -0.226 25069 11335 1 20 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.531 0.117 25069 11336 1 20 . 1 1 82 82 ILE C C 82 178.743 178.743 177.515 1.228 25069 11337 1 20 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.596 -1.447 25069 11338 1 20 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.160 -0.435 25069 11339 1 20 . 1 1 82 82 ILE H H 82 7.490 7.490 7.740 -0.250 25069 11340 1 20 . 1 1 83 83 ALA N N 83 123.288 123.288 121.843 1.445 25069 11341 1 20 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.919 -0.105 25069 11342 1 20 . 1 1 83 83 ALA C C 83 179.019 179.019 179.849 -0.830 25069 11343 1 20 . 1 1 83 83 ALA CA C 83 55.527 55.527 55.022 0.505 25069 11344 1 20 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.207 -0.558 25069 11345 1 20 . 1 1 83 83 ALA H H 83 8.190 8.190 7.405 0.785 25069 11346 1 20 . 1 1 84 84 MET N N 84 114.549 114.549 117.955 -3.406 25069 11347 1 20 . 1 1 84 84 MET HA H 84 4.660 4.660 4.463 0.197 25069 11348 1 20 . 1 1 84 84 MET C C 84 174.776 174.776 178.888 -4.112 25069 11349 1 20 . 1 1 84 84 MET CA C 84 58.603 58.603 59.029 -0.426 25069 11350 1 20 . 1 1 84 84 MET CB C 84 37.147 37.147 32.846 4.301 25069 11351 1 20 . 1 1 84 84 MET H H 84 8.060 8.060 8.303 -0.243 25069 11352 1 20 . 1 1 85 85 MET N N 85 114.638 114.638 118.679 -4.041 25069 11353 1 20 . 1 1 85 85 MET HA H 85 4.079 4.079 4.292 -0.213 25069 11354 1 20 . 1 1 85 85 MET C C 85 178.153 178.153 178.545 -0.392 25069 11355 1 20 . 1 1 85 85 MET CA C 85 58.444 58.444 58.470 -0.026 25069 11356 1 20 . 1 1 85 85 MET CB C 85 32.523 32.523 31.856 0.667 25069 11357 1 20 . 1 1 85 85 MET H H 85 8.097 8.097 8.562 -0.465 25069 11358 1 20 . 1 1 86 86 SER N N 86 114.719 114.719 115.354 -0.635 25069 11359 1 20 . 1 1 86 86 SER HA H 86 4.184 4.184 4.418 -0.234 25069 11360 1 20 . 1 1 86 86 SER C C 86 176.656 176.656 175.920 0.736 25069 11361 1 20 . 1 1 86 86 SER CA C 86 60.867 60.867 61.361 -0.494 25069 11362 1 20 . 1 1 86 86 SER CB C 86 63.250 63.250 62.538 0.712 25069 11363 1 20 . 1 1 86 86 SER H H 86 8.119 8.119 8.771 -0.652 25069 11364 1 20 . 1 1 87 87 ASN N N 87 119.754 119.754 119.235 0.519 25069 11365 1 20 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.700 -0.122 25069 11366 1 20 . 1 1 87 87 ASN C C 87 176.062 176.062 177.210 -1.148 25069 11367 1 20 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.531 0.645 25069 11368 1 20 . 1 1 87 87 ASN CB C 87 38.748 38.748 39.014 -0.266 25069 11369 1 20 . 1 1 87 87 ASN H H 87 8.328 8.328 8.028 0.300 25069 11370 1 20 . 1 1 88 88 GLU N N 88 117.928 117.928 121.114 -3.186 25069 11371 1 20 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.170 -0.431 25069 11372 1 20 . 1 1 88 88 GLU C C 88 177.870 177.870 178.879 -1.009 25069 11373 1 20 . 1 1 88 88 GLU CA C 88 58.932 58.932 58.886 0.045 25069 11374 1 20 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.426 -0.145 25069 11375 1 20 . 1 1 88 88 GLU H H 88 7.747 7.747 8.679 -0.932 25069 11376 1 20 . 1 1 89 89 PHE N N 89 116.133 116.133 120.791 -4.658 25069 11377 1 20 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.172 -0.003 25069 11378 1 20 . 1 1 89 89 PHE C C 89 176.404 176.404 177.200 -0.796 25069 11379 1 20 . 1 1 89 89 PHE CA C 89 59.056 59.056 60.459 -1.403 25069 11380 1 20 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.178 -0.336 25069 11381 1 20 . 1 1 89 89 PHE H H 89 7.465 7.465 8.042 -0.577 25069 11382 1 20 . 1 1 90 90 PHE N N 90 119.130 119.130 119.351 -0.221 25069 11383 1 20 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.138 -0.083 25069 11384 1 20 . 1 1 90 90 PHE C C 90 176.420 176.420 176.010 0.410 25069 11385 1 20 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.571 -0.801 25069 11386 1 20 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.150 0.163 25069 11387 1 20 . 1 1 90 90 PHE H H 90 7.537 7.537 7.702 -0.165 25069 11388 1 20 . 1 1 91 91 GLU N N 91 118.971 118.971 117.189 1.782 25069 11389 1 20 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.143 -0.403 25069 11390 1 20 . 1 1 91 91 GLU C C 91 176.491 176.491 177.344 -0.853 25069 11391 1 20 . 1 1 91 91 GLU CA C 91 57.231 57.231 56.656 0.575 25069 11392 1 20 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.566 -0.518 25069 11393 1 20 . 1 1 91 91 GLU H H 91 7.938 7.938 7.800 0.138 25069 11394 1 20 . 1 1 92 92 GLY N N 92 105.912 105.912 106.185 -0.273 25069 11395 1 20 . 1 1 92 92 GLY C C 92 173.288 173.288 173.566 -0.278 25069 11396 1 20 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.116 -0.052 25069 11397 1 20 . 1 1 92 92 GLY H H 92 7.201 7.201 8.005 -0.804 25069 11398 1 20 . 1 1 93 93 PHE N N 93 118.877 118.877 118.700 0.177 25069 11399 1 20 . 1 1 93 93 PHE C C 93 174.128 174.128 173.655 0.473 25069 11400 1 20 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.523 1.686 25069 11401 1 20 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.373 -2.603 25069 11402 1 20 . 1 1 93 93 PHE H H 93 7.844 7.844 7.523 0.321 25069 11403 1 20 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.726 -0.520 25069 11404 1 20 . 1 1 94 94 PRO C C 94 176.669 176.669 176.359 0.310 25069 11405 1 20 . 1 1 94 94 PRO CA C 94 63.701 63.701 62.937 0.764 25069 11406 1 20 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.479 1.357 25069 11407 1 20 . 1 1 95 95 ASP N N 95 118.031 118.031 122.743 -4.712 25069 11408 1 20 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.503 -0.096 25069 11409 1 20 . 1 1 95 95 ASP C C 95 176.139 176.139 176.427 -0.288 25069 11410 1 20 . 1 1 95 95 ASP CA C 95 54.481 54.481 56.317 -1.836 25069 11411 1 20 . 1 1 95 95 ASP CB C 95 41.021 41.021 41.273 -0.252 25069 11412 1 20 . 1 1 95 95 ASP H H 95 8.144 8.144 8.840 -0.696 25069 11413 1 20 . 1 1 96 96 LYS N N 96 119.472 119.472 117.631 1.841 25069 11414 1 20 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.642 -0.505 25069 11415 1 20 . 1 1 96 96 LYS C C 96 176.212 176.212 176.090 0.122 25069 11416 1 20 . 1 1 96 96 LYS CA C 96 56.179 56.179 54.760 1.419 25069 11417 1 20 . 1 1 96 96 LYS CB C 96 32.783 32.783 31.690 1.093 25069 11418 1 20 . 1 1 96 96 LYS H H 96 7.980 7.980 7.716 0.264 25069 11419 1 20 . 1 1 97 97 GLN N N 97 120.185 120.185 120.330 -0.145 25069 11420 1 20 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.791 -0.370 25069 11421 1 20 . 1 1 97 97 GLN C C 97 173.700 173.700 174.093 -0.393 25069 11422 1 20 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.633 1.170 25069 11423 1 20 . 1 1 97 97 GLN CB C 97 28.732 28.732 29.278 -0.546 25069 11424 1 20 . 1 1 97 97 GLN H H 97 8.007 8.007 7.676 0.331 25069 11425 1 20 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.799 -0.556 25069 11426 1 20 . 1 1 98 98 PRO C C 98 176.605 176.605 176.262 0.343 25069 11427 1 20 . 1 1 98 98 PRO CA C 98 63.014 63.014 62.774 0.240 25069 11428 1 20 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.573 0.364 25069 11429 1 20 . 1 1 99 99 ARG N N 99 120.677 120.677 117.944 2.733 25069 11430 1 20 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.159 -0.014 25069 11431 1 20 . 1 1 99 99 ARG C C 99 176.053 176.053 176.737 -0.684 25069 11432 1 20 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.550 -1.578 25069 11433 1 20 . 1 1 99 99 ARG CB C 99 30.894 30.894 29.368 1.526 25069 11434 1 20 . 1 1 99 99 ARG H H 99 8.254 8.254 8.410 -0.156 25069 11435 1 20 . 1 1 100 100 LYS N N 100 122.775 122.775 115.031 7.744 25069 11436 1 20 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.157 -0.013 25069 11437 1 20 . 1 1 100 100 LYS C C 100 175.376 175.376 175.462 -0.086 25069 11438 1 20 . 1 1 100 100 LYS CA C 100 56.396 56.396 56.559 -0.163 25069 11439 1 20 . 1 1 100 100 LYS CB C 100 33.289 33.289 33.155 0.134 25069 11440 1 20 . 1 1 100 100 LYS H H 100 8.230 8.230 7.670 0.560 25069 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 94 2.720 0.745 2.630 25069 2 1 1 "Average Difference" HA 99 0.302 0.119 0.279 25069 3 1 1 "Average Difference" C 99 1.077 0.134 1.074 25069 4 1 1 "Average Difference" CA 99 0.899 -0.039 0.903 25069 5 1 1 "Average Difference" CB 95 1.142 -0.198 1.130 25069 6 1 1 "Average Difference" HN 94 0.633 0.033 0.635 25069 7 1 2 "Average Difference" N 94 2.672 0.675 2.599 25069 8 1 2 "Average Difference" HA 99 0.307 0.161 0.262 25069 9 1 2 "Average Difference" C 99 1.139 0.154 1.134 25069 10 1 2 "Average Difference" CA 99 1.034 0.006 1.039 25069 11 1 2 "Average Difference" CB 95 1.119 -0.147 1.116 25069 12 1 2 "Average Difference" HN 94 0.619 0.021 0.622 25069 13 1 3 "Average Difference" N 94 2.853 0.640 2.796 25069 14 1 3 "Average Difference" HA 99 0.301 0.148 0.264 25069 15 1 3 "Average Difference" C 99 1.132 0.102 1.133 25069 16 1 3 "Average Difference" CA 99 0.918 -0.019 0.922 25069 17 1 3 "Average Difference" CB 95 1.054 -0.141 1.050 25069 18 1 3 "Average Difference" HN 94 0.641 0.016 0.644 25069 19 1 4 "Average Difference" N 94 2.840 0.806 2.738 25069 20 1 4 "Average Difference" HA 99 0.330 0.151 0.294 25069 21 1 4 "Average Difference" C 99 1.097 0.107 1.097 25069 22 1 4 "Average Difference" CA 99 0.954 -0.083 0.955 25069 23 1 4 "Average Difference" CB 95 1.192 -0.094 1.195 25069 24 1 4 "Average Difference" HN 94 0.616 0.032 0.618 25069 25 1 5 "Average Difference" N 94 2.713 0.835 2.595 25069 26 1 5 "Average Difference" HA 99 0.307 0.141 0.275 25069 27 1 5 "Average Difference" C 99 1.148 0.093 1.150 25069 28 1 5 "Average Difference" CA 99 0.956 -0.043 0.960 25069 29 1 5 "Average Difference" CB 95 1.106 -0.119 1.105 25069 30 1 5 "Average Difference" HN 94 0.609 -0.006 0.612 25069 31 1 6 "Average Difference" N 94 2.507 0.834 2.377 25069 32 1 6 "Average Difference" HA 99 0.331 0.168 0.286 25069 33 1 6 "Average Difference" C 99 1.128 0.113 1.128 25069 34 1 6 "Average Difference" CA 99 0.969 0.005 0.974 25069 35 1 6 "Average Difference" CB 95 1.148 -0.118 1.148 25069 36 1 6 "Average Difference" HN 94 0.631 0.066 0.631 25069 37 1 7 "Average Difference" N 94 2.838 0.739 2.755 25069 38 1 7 "Average Difference" HA 99 0.337 0.174 0.290 25069 39 1 7 "Average Difference" C 99 1.154 0.162 1.148 25069 40 1 7 "Average Difference" CA 99 0.978 -0.022 0.983 25069 41 1 7 "Average Difference" CB 95 1.172 -0.082 1.175 25069 42 1 7 "Average Difference" HN 94 0.605 0.060 0.605 25069 43 1 8 "Average Difference" N 94 2.866 0.620 2.813 25069 44 1 8 "Average Difference" HA 99 0.325 0.135 0.298 25069 45 1 8 "Average Difference" C 99 1.090 0.140 1.087 25069 46 1 8 "Average Difference" CA 99 1.013 0.054 1.017 25069 47 1 8 "Average Difference" CB 95 1.123 -0.145 1.119 25069 48 1 8 "Average Difference" HN 94 0.614 0.007 0.617 25069 49 1 9 "Average Difference" N 94 2.734 0.746 2.644 25069 50 1 9 "Average Difference" HA 99 0.309 0.138 0.278 25069 51 1 9 "Average Difference" C 99 1.184 0.194 1.174 25069 52 1 9 "Average Difference" CA 99 0.997 0.140 0.992 25069 53 1 9 "Average Difference" CB 95 1.197 -0.191 1.188 25069 54 1 9 "Average Difference" HN 94 0.637 0.023 0.640 25069 55 1 10 "Average Difference" N 94 2.625 0.660 2.555 25069 56 1 10 "Average Difference" HA 99 0.298 0.138 0.266 25069 57 1 10 "Average Difference" C 99 1.109 0.144 1.106 25069 58 1 10 "Average Difference" CA 99 0.889 -0.057 0.892 25069 59 1 10 "Average Difference" CB 95 1.095 -0.247 1.073 25069 60 1 10 "Average Difference" HN 94 0.615 0.019 0.618 25069 61 1 11 "Average Difference" N 94 2.547 0.628 2.482 25069 62 1 11 "Average Difference" HA 99 0.321 0.122 0.298 25069 63 1 11 "Average Difference" C 99 1.165 0.107 1.166 25069 64 1 11 "Average Difference" CA 99 1.000 -0.092 1.001 25069 65 1 11 "Average Difference" CB 95 1.190 -0.236 1.173 25069 66 1 11 "Average Difference" HN 94 0.654 -0.070 0.654 25069 67 1 12 "Average Difference" N 94 2.675 0.888 2.536 25069 68 1 12 "Average Difference" HA 99 0.340 0.167 0.297 25069 69 1 12 "Average Difference" C 99 1.106 0.162 1.099 25069 70 1 12 "Average Difference" CA 99 0.862 -0.041 0.865 25069 71 1 12 "Average Difference" CB 95 1.150 -0.137 1.148 25069 72 1 12 "Average Difference" HN 94 0.635 0.040 0.637 25069 73 1 13 "Average Difference" N 94 2.779 0.770 2.684 25069 74 1 13 "Average Difference" HA 99 0.342 0.133 0.317 25069 75 1 13 "Average Difference" C 99 1.192 0.122 1.192 25069 76 1 13 "Average Difference" CA 99 0.970 -0.004 0.975 25069 77 1 13 "Average Difference" CB 95 1.119 -0.151 1.114 25069 78 1 13 "Average Difference" HN 94 0.599 -0.042 0.601 25069 79 1 14 "Average Difference" N 94 2.699 0.834 2.580 25069 80 1 14 "Average Difference" HA 99 0.449 0.112 0.437 25069 81 1 14 "Average Difference" C 99 1.175 0.115 1.175 25069 82 1 14 "Average Difference" CA 99 1.018 -0.150 1.012 25069 83 1 14 "Average Difference" CB 95 1.239 -0.228 1.224 25069 84 1 14 "Average Difference" HN 94 0.646 -0.009 0.649 25069 85 1 15 "Average Difference" N 94 2.820 0.904 2.686 25069 86 1 15 "Average Difference" HA 99 0.301 0.143 0.266 25069 87 1 15 "Average Difference" C 99 1.089 0.097 1.090 25069 88 1 15 "Average Difference" CA 99 0.878 -0.055 0.880 25069 89 1 15 "Average Difference" CB 95 1.137 -0.161 1.132 25069 90 1 15 "Average Difference" HN 94 0.600 0.005 0.603 25069 91 1 16 "Average Difference" N 94 2.692 0.704 2.612 25069 92 1 16 "Average Difference" HA 99 0.324 0.175 0.274 25069 93 1 16 "Average Difference" C 99 1.151 0.226 1.134 25069 94 1 16 "Average Difference" CA 99 0.980 -0.063 0.983 25069 95 1 16 "Average Difference" CB 95 1.156 -0.152 1.152 25069 96 1 16 "Average Difference" HN 94 0.627 0.045 0.629 25069 97 1 17 "Average Difference" N 94 2.651 0.664 2.581 25069 98 1 17 "Average Difference" HA 99 0.365 0.122 0.346 25069 99 1 17 "Average Difference" C 99 1.184 0.223 1.169 25069 100 1 17 "Average Difference" CA 99 1.086 -0.101 1.086 25069 101 1 17 "Average Difference" CB 95 1.130 -0.250 1.108 25069 102 1 17 "Average Difference" HN 94 0.596 0.007 0.599 25069 103 1 18 "Average Difference" N 94 2.647 0.612 2.589 25069 104 1 18 "Average Difference" HA 99 0.312 0.124 0.288 25069 105 1 18 "Average Difference" C 99 1.112 0.129 1.110 25069 106 1 18 "Average Difference" CA 99 0.948 -0.004 0.953 25069 107 1 18 "Average Difference" CB 95 1.192 -0.228 1.176 25069 108 1 18 "Average Difference" HN 94 0.642 -0.005 0.645 25069 109 1 19 "Average Difference" N 94 2.828 0.595 2.779 25069 110 1 19 "Average Difference" HA 99 0.315 0.140 0.283 25069 111 1 19 "Average Difference" C 99 1.149 0.112 1.149 25069 112 1 19 "Average Difference" CA 99 1.000 -0.065 1.003 25069 113 1 19 "Average Difference" CB 95 1.115 -0.163 1.109 25069 114 1 19 "Average Difference" HN 94 0.626 -0.023 0.629 25069 115 1 20 "Average Difference" N 94 2.876 0.690 2.807 25069 116 1 20 "Average Difference" HA 99 0.371 0.149 0.341 25069 117 1 20 "Average Difference" C 99 1.138 0.080 1.141 25069 118 1 20 "Average Difference" CA 99 0.973 -0.097 0.973 25069 119 1 20 "Average Difference" CB 95 1.133 -0.150 1.129 25069 120 1 20 "Average Difference" HN 94 0.616 0.010 0.619 25069 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 25069 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.209 4.209 4.541 -0.332 25069 2 1 . 1 1 2 2 ALA C C 2 173.983 173.983 177.262 -3.278 25069 3 1 . 1 1 2 2 ALA CA C 2 51.602 51.602 51.509 0.093 25069 4 1 . 1 1 2 2 ALA CB C 2 19.876 19.876 18.274 1.602 25069 5 1 . 1 1 3 3 SER N N 3 121.630 121.630 118.765 2.865 25069 6 1 . 1 1 3 3 SER C C 3 172.689 172.689 174.185 -1.496 25069 7 1 . 1 1 3 3 SER CA C 3 56.943 56.943 58.798 -1.855 25069 8 1 . 1 1 3 3 SER CB C 3 63.102 63.102 61.635 1.467 25069 9 1 . 1 1 3 3 SER H H 3 9.907 9.907 8.036 1.871 25069 10 1 . 1 1 4 4 PRO C C 4 179.695 179.695 177.994 1.701 25069 11 1 . 1 1 4 4 PRO CA C 4 65.734 65.734 65.578 0.156 25069 12 1 . 1 1 4 4 PRO CB C 4 31.780 31.780 31.431 0.350 25069 13 1 . 1 1 5 5 LEU N N 5 118.522 118.522 118.584 -0.062 25069 14 1 . 1 1 5 5 LEU HA H 5 4.031 4.031 3.979 0.052 25069 15 1 . 1 1 5 5 LEU C C 5 177.968 177.968 178.345 -0.377 25069 16 1 . 1 1 5 5 LEU CA C 5 57.648 57.648 58.101 -0.453 25069 17 1 . 1 1 5 5 LEU CB C 5 42.635 42.635 41.837 0.798 25069 18 1 . 1 1 5 5 LEU H H 5 8.277 8.277 7.627 0.650 25069 19 1 . 1 1 6 6 GLU N N 6 118.997 118.997 118.521 0.476 25069 20 1 . 1 1 6 6 GLU HA H 6 3.696 3.696 3.992 -0.296 25069 21 1 . 1 1 6 6 GLU C C 6 180.177 180.177 179.125 1.052 25069 22 1 . 1 1 6 6 GLU CA C 6 60.339 60.339 59.360 0.979 25069 23 1 . 1 1 6 6 GLU CB C 6 29.834 29.834 29.023 0.811 25069 24 1 . 1 1 6 6 GLU H H 6 8.130 8.130 8.160 -0.030 25069 25 1 . 1 1 7 7 LYS N N 7 117.838 117.838 118.200 -0.362 25069 26 1 . 1 1 7 7 LYS HA H 7 3.996 3.996 4.192 -0.196 25069 27 1 . 1 1 7 7 LYS C C 7 178.764 178.764 178.715 0.049 25069 28 1 . 1 1 7 7 LYS CA C 7 59.356 59.356 57.887 1.469 25069 29 1 . 1 1 7 7 LYS CB C 7 32.159 32.159 31.756 0.403 25069 30 1 . 1 1 7 7 LYS H H 7 8.341 8.341 7.785 0.556 25069 31 1 . 1 1 8 8 ALA N N 8 122.327 122.327 122.210 0.117 25069 32 1 . 1 1 8 8 ALA HA H 8 3.979 3.979 4.205 -0.226 25069 33 1 . 1 1 8 8 ALA C C 8 179.482 179.482 179.370 0.112 25069 34 1 . 1 1 8 8 ALA CA C 8 55.168 55.168 54.506 0.662 25069 35 1 . 1 1 8 8 ALA CB C 8 18.294 18.294 18.101 0.193 25069 36 1 . 1 1 8 8 ALA H H 8 8.082 8.082 7.909 0.174 25069 37 1 . 1 1 9 9 LEU N N 9 118.212 118.212 118.279 -0.067 25069 38 1 . 1 1 9 9 LEU HA H 9 3.947 3.947 3.896 0.051 25069 39 1 . 1 1 9 9 LEU C C 9 178.844 178.844 178.671 0.173 25069 40 1 . 1 1 9 9 LEU CA C 9 58.209 58.209 57.519 0.690 25069 41 1 . 1 1 9 9 LEU CB C 9 41.616 41.616 41.095 0.521 25069 42 1 . 1 1 9 9 LEU H H 9 8.042 8.042 7.866 0.176 25069 43 1 . 1 1 10 10 ASP N N 10 117.997 117.997 119.242 -1.245 25069 44 1 . 1 1 10 10 ASP HA H 10 4.387 4.387 4.418 -0.031 25069 45 1 . 1 1 10 10 ASP C C 10 179.582 179.582 178.508 1.074 25069 46 1 . 1 1 10 10 ASP CA C 10 57.770 57.770 57.350 0.421 25069 47 1 . 1 1 10 10 ASP CB C 10 40.994 40.994 41.087 -0.093 25069 48 1 . 1 1 10 10 ASP H H 10 7.587 7.587 7.658 -0.071 25069 49 1 . 1 1 11 11 VAL N N 11 120.702 120.702 119.644 1.058 25069 50 1 . 1 1 11 11 VAL HA H 11 3.737 3.737 3.806 -0.069 25069 51 1 . 1 1 11 11 VAL C C 11 180.061 180.061 177.845 2.216 25069 52 1 . 1 1 11 11 VAL CA C 11 66.144 66.144 65.573 0.571 25069 53 1 . 1 1 11 11 VAL CB C 11 31.626 31.626 31.357 0.269 25069 54 1 . 1 1 11 11 VAL H H 11 8.099 8.099 7.645 0.454 25069 55 1 . 1 1 12 12 MET N N 12 123.185 123.185 120.342 2.843 25069 56 1 . 1 1 12 12 MET HA H 12 3.921 3.921 4.354 -0.433 25069 57 1 . 1 1 12 12 MET C C 12 178.871 178.871 178.056 0.815 25069 58 1 . 1 1 12 12 MET CA C 12 60.784 60.784 58.370 2.414 25069 59 1 . 1 1 12 12 MET CB C 12 32.579 32.579 31.925 0.654 25069 60 1 . 1 1 12 12 MET H H 12 8.454 8.454 7.875 0.579 25069 61 1 . 1 1 13 13 VAL N N 13 118.900 118.900 119.940 -1.040 25069 62 1 . 1 1 13 13 VAL HA H 13 3.925 3.925 3.594 0.331 25069 63 1 . 1 1 13 13 VAL C C 13 177.712 177.712 178.194 -0.482 25069 64 1 . 1 1 13 13 VAL CA C 13 66.680 66.680 66.717 -0.037 25069 65 1 . 1 1 13 13 VAL CB C 13 33.247 33.247 30.901 2.346 25069 66 1 . 1 1 13 13 VAL H H 13 8.117 8.117 7.692 0.425 25069 67 1 . 1 1 14 14 SER N N 14 114.675 114.675 115.159 -0.484 25069 68 1 . 1 1 14 14 SER HA H 14 3.966 3.966 4.076 -0.110 25069 69 1 . 1 1 14 14 SER C C 14 178.306 178.306 176.584 1.722 25069 70 1 . 1 1 14 14 SER CA C 14 61.937 61.937 61.068 0.869 25069 71 1 . 1 1 14 14 SER CB C 14 62.474 62.474 62.881 -0.407 25069 72 1 . 1 1 14 14 SER H H 14 8.935 8.935 7.674 1.261 25069 73 1 . 1 1 15 15 THR N N 15 117.582 117.582 119.219 -1.637 25069 74 1 . 1 1 15 15 THR HA H 15 4.190 4.190 3.963 0.227 25069 75 1 . 1 1 15 15 THR C C 15 174.459 174.459 176.033 -1.575 25069 76 1 . 1 1 15 15 THR CA C 15 67.683 67.683 66.818 0.865 25069 77 1 . 1 1 15 15 THR CB C 15 68.187 68.187 68.690 -0.503 25069 78 1 . 1 1 15 15 THR H H 15 8.543 8.543 8.204 0.339 25069 79 1 . 1 1 16 16 PHE N N 16 118.606 118.606 121.911 -3.305 25069 80 1 . 1 1 16 16 PHE HA H 16 3.369 3.369 3.798 -0.429 25069 81 1 . 1 1 16 16 PHE C C 16 176.480 176.480 176.878 -0.398 25069 82 1 . 1 1 16 16 PHE CA C 16 62.481 62.481 61.412 1.069 25069 83 1 . 1 1 16 16 PHE CB C 16 39.236 39.236 38.483 0.753 25069 84 1 . 1 1 16 16 PHE H H 16 6.809 6.809 7.940 -1.131 25069 85 1 . 1 1 17 17 HIS N N 17 114.536 114.536 117.471 -2.935 25069 86 1 . 1 1 17 17 HIS HA H 17 4.726 4.726 4.220 0.506 25069 87 1 . 1 1 17 17 HIS C C 17 177.124 177.124 177.316 -0.192 25069 88 1 . 1 1 17 17 HIS CA C 17 57.727 57.727 57.961 -0.234 25069 89 1 . 1 1 17 17 HIS CB C 17 30.148 30.148 29.324 0.824 25069 90 1 . 1 1 17 17 HIS H H 17 6.955 6.955 7.892 -0.937 25069 91 1 . 1 1 18 18 LYS N N 18 120.739 120.739 119.970 0.769 25069 92 1 . 1 1 18 18 LYS HA H 18 3.718 3.718 3.993 -0.275 25069 93 1 . 1 1 18 18 LYS C C 18 177.006 177.006 177.752 -0.746 25069 94 1 . 1 1 18 18 LYS CA C 18 58.868 58.868 58.954 -0.086 25069 95 1 . 1 1 18 18 LYS CB C 18 32.114 32.114 32.216 -0.102 25069 96 1 . 1 1 18 18 LYS H H 18 7.820 7.820 7.526 0.294 25069 97 1 . 1 1 19 19 TYR N N 19 112.545 112.545 116.301 -3.756 25069 98 1 . 1 1 19 19 TYR HA H 19 4.139 4.139 4.334 -0.195 25069 99 1 . 1 1 19 19 TYR C C 19 176.218 176.218 177.610 -1.392 25069 100 1 . 1 1 19 19 TYR CA C 19 59.898 59.898 60.414 -0.516 25069 101 1 . 1 1 19 19 TYR CB C 19 40.457 40.457 39.119 1.338 25069 102 1 . 1 1 19 19 TYR H H 19 6.730 6.730 7.639 -0.909 25069 103 1 . 1 1 20 20 SER N N 20 113.404 113.404 115.000 -1.596 25069 104 1 . 1 1 20 20 SER HA H 20 3.385 3.385 4.325 -0.940 25069 105 1 . 1 1 20 20 SER C C 20 176.961 176.961 176.083 0.878 25069 106 1 . 1 1 20 20 SER CA C 20 61.866 61.866 60.530 1.336 25069 107 1 . 1 1 20 20 SER CB C 20 60.904 60.904 62.886 -1.983 25069 108 1 . 1 1 20 20 SER H H 20 8.493 8.493 8.229 0.264 25069 109 1 . 1 1 21 21 GLY N N 21 109.001 109.001 107.841 1.160 25069 110 1 . 1 1 21 21 GLY C C 21 173.502 173.502 174.335 -0.833 25069 111 1 . 1 1 21 21 GLY CA C 21 45.539 45.539 44.887 0.652 25069 112 1 . 1 1 21 21 GLY H H 21 7.512 7.512 7.658 -0.146 25069 113 1 . 1 1 22 22 LYS N N 22 120.754 120.754 118.795 1.959 25069 114 1 . 1 1 22 22 LYS HA H 22 3.795 3.795 4.342 -0.547 25069 115 1 . 1 1 22 22 LYS C C 22 177.354 177.354 176.488 0.866 25069 116 1 . 1 1 22 22 LYS CA C 22 60.007 60.007 57.031 2.976 25069 117 1 . 1 1 22 22 LYS CB C 22 32.983 32.983 33.752 -0.769 25069 118 1 . 1 1 22 22 LYS H H 22 6.958 6.958 7.762 -0.804 25069 119 1 . 1 1 23 23 GLU N N 23 115.305 115.305 118.080 -2.775 25069 120 1 . 1 1 23 23 GLU HA H 23 4.458 4.458 4.449 0.009 25069 121 1 . 1 1 23 23 GLU C C 23 176.733 176.733 176.001 0.732 25069 122 1 . 1 1 23 23 GLU CA C 23 54.435 54.435 55.268 -0.833 25069 123 1 . 1 1 23 23 GLU CB C 23 34.354 34.354 31.872 2.482 25069 124 1 . 1 1 23 23 GLU H H 23 9.425 9.425 8.381 1.044 25069 125 1 . 1 1 24 24 GLY N N 24 112.542 112.542 113.564 -1.022 25069 126 1 . 1 1 24 24 GLY C C 24 173.486 173.486 174.003 -0.517 25069 127 1 . 1 1 24 24 GLY CA C 24 46.342 46.342 45.890 0.452 25069 128 1 . 1 1 24 24 GLY H H 24 8.879 8.879 8.525 0.354 25069 129 1 . 1 1 25 25 ASP N N 25 125.117 125.117 122.393 2.724 25069 130 1 . 1 1 25 25 ASP HA H 25 4.283 4.283 4.818 -0.536 25069 131 1 . 1 1 25 25 ASP C C 25 179.177 179.177 176.097 3.080 25069 132 1 . 1 1 25 25 ASP CA C 25 55.114 55.114 53.173 1.941 25069 133 1 . 1 1 25 25 ASP CB C 25 41.736 41.736 42.345 -0.609 25069 134 1 . 1 1 25 25 ASP H H 25 8.423 8.423 8.136 0.287 25069 135 1 . 1 1 26 26 LYS N N 26 131.175 131.175 118.973 12.202 25069 136 1 . 1 1 26 26 LYS HA H 26 4.196 4.196 4.407 -0.211 25069 137 1 . 1 1 26 26 LYS C C 26 176.638 176.638 175.562 1.076 25069 138 1 . 1 1 26 26 LYS CA C 26 57.968 57.968 56.984 0.984 25069 139 1 . 1 1 26 26 LYS CB C 26 31.223 31.223 32.920 -1.697 25069 140 1 . 1 1 26 26 LYS H H 26 9.247 9.247 8.508 0.739 25069 141 1 . 1 1 27 27 PHE N N 27 118.593 118.593 116.246 2.347 25069 142 1 . 1 1 27 27 PHE HA H 27 4.699 4.699 4.941 -0.242 25069 143 1 . 1 1 27 27 PHE C C 27 173.452 173.452 174.298 -0.846 25069 144 1 . 1 1 27 27 PHE CA C 27 56.032 56.032 57.297 -1.265 25069 145 1 . 1 1 27 27 PHE CB C 27 39.091 39.091 40.469 -1.378 25069 146 1 . 1 1 27 27 PHE H H 27 9.335 9.335 8.312 1.023 25069 147 1 . 1 1 28 28 LYS N N 28 113.854 113.854 119.291 -5.437 25069 148 1 . 1 1 28 28 LYS HA H 28 5.004 5.004 5.238 -0.234 25069 149 1 . 1 1 28 28 LYS C C 28 174.468 174.468 175.158 -0.690 25069 150 1 . 1 1 28 28 LYS CA C 28 55.287 55.287 55.139 0.148 25069 151 1 . 1 1 28 28 LYS CB C 28 39.018 39.018 37.367 1.651 25069 152 1 . 1 1 28 28 LYS H H 28 6.985 6.985 7.583 -0.598 25069 153 1 . 1 1 29 29 LEU N N 29 124.858 124.858 125.069 -0.211 25069 154 1 . 1 1 29 29 LEU HA H 29 5.013 5.013 4.751 0.262 25069 155 1 . 1 1 29 29 LEU C C 29 175.791 175.791 176.346 -0.555 25069 156 1 . 1 1 29 29 LEU CA C 29 52.599 52.599 53.501 -0.902 25069 157 1 . 1 1 29 29 LEU CB C 29 43.557 43.557 42.048 1.509 25069 158 1 . 1 1 29 29 LEU H H 29 9.454 9.454 9.049 0.405 25069 159 1 . 1 1 30 30 ASN N N 30 122.896 122.896 122.347 0.549 25069 160 1 . 1 1 30 30 ASN HA H 30 4.578 4.578 5.076 -0.498 25069 161 1 . 1 1 30 30 ASN C C 30 174.969 174.969 176.596 -1.627 25069 162 1 . 1 1 30 30 ASN CA C 30 51.098 51.098 52.154 -1.056 25069 163 1 . 1 1 30 30 ASN CB C 30 37.358 37.358 39.567 -2.209 25069 164 1 . 1 1 30 30 ASN H H 30 9.560 9.560 8.186 1.374 25069 165 1 . 1 1 31 31 LYS N N 31 115.136 115.136 120.165 -5.029 25069 166 1 . 1 1 31 31 LYS HA H 31 3.870 3.870 3.841 0.029 25069 167 1 . 1 1 31 31 LYS C C 31 177.992 177.992 178.471 -0.479 25069 168 1 . 1 1 31 31 LYS CA C 31 61.035 61.035 60.783 0.252 25069 169 1 . 1 1 31 31 LYS CB C 31 32.205 32.205 31.976 0.229 25069 170 1 . 1 1 31 31 LYS H H 31 8.204 8.204 8.780 -0.576 25069 171 1 . 1 1 32 32 SER N N 32 113.755 113.755 114.682 -0.927 25069 172 1 . 1 1 32 32 SER HA H 32 3.939 3.939 4.041 -0.102 25069 173 1 . 1 1 32 32 SER C C 32 177.484 177.484 176.454 1.030 25069 174 1 . 1 1 32 32 SER CA C 32 61.374 61.374 61.714 -0.340 25069 175 1 . 1 1 32 32 SER CB C 32 62.733 62.733 62.726 0.007 25069 176 1 . 1 1 32 32 SER H H 32 7.575 7.575 8.227 -0.652 25069 177 1 . 1 1 33 33 GLU N N 33 122.657 122.657 121.930 0.727 25069 178 1 . 1 1 33 33 GLU HA H 33 3.913 3.913 4.148 -0.235 25069 179 1 . 1 1 33 33 GLU C C 33 178.560 178.560 179.032 -0.472 25069 180 1 . 1 1 33 33 GLU CA C 33 58.842 58.842 58.580 0.262 25069 181 1 . 1 1 33 33 GLU CB C 33 31.199 31.199 29.547 1.652 25069 182 1 . 1 1 33 33 GLU H H 33 8.608 8.608 7.676 0.932 25069 183 1 . 1 1 34 34 LEU N N 34 117.375 117.375 121.843 -4.468 25069 184 1 . 1 1 34 34 LEU HA H 34 3.805 3.805 3.863 -0.058 25069 185 1 . 1 1 34 34 LEU C C 34 177.693 177.693 178.193 -0.500 25069 186 1 . 1 1 34 34 LEU CA C 34 57.776 57.776 58.482 -0.706 25069 187 1 . 1 1 34 34 LEU CB C 34 41.697 41.697 41.662 0.035 25069 188 1 . 1 1 34 34 LEU H H 34 8.859 8.859 8.736 0.123 25069 189 1 . 1 1 35 35 LYS N N 35 117.418 117.418 118.944 -1.526 25069 190 1 . 1 1 35 35 LYS HA H 35 3.526 3.526 3.281 0.245 25069 191 1 . 1 1 35 35 LYS C C 35 179.129 179.129 178.805 0.324 25069 192 1 . 1 1 35 35 LYS CA C 35 60.166 60.166 60.159 0.007 25069 193 1 . 1 1 35 35 LYS CB C 35 31.759 31.759 31.694 0.065 25069 194 1 . 1 1 35 35 LYS H H 35 7.901 7.901 8.225 -0.324 25069 195 1 . 1 1 36 36 GLU N N 36 120.491 120.491 119.740 0.751 25069 196 1 . 1 1 36 36 GLU HA H 36 3.719 3.719 4.030 -0.311 25069 197 1 . 1 1 36 36 GLU C C 36 176.354 176.354 179.217 -2.863 25069 198 1 . 1 1 36 36 GLU CA C 36 59.969 59.969 59.104 0.865 25069 199 1 . 1 1 36 36 GLU CB C 36 29.393 29.393 29.718 -0.325 25069 200 1 . 1 1 36 36 GLU H H 36 7.619 7.619 7.716 -0.097 25069 201 1 . 1 1 37 37 LEU N N 37 120.058 120.058 121.303 -1.245 25069 202 1 . 1 1 37 37 LEU HA H 37 2.425 2.425 3.063 -0.638 25069 203 1 . 1 1 37 37 LEU C C 37 179.412 179.412 178.588 0.824 25069 204 1 . 1 1 37 37 LEU CA C 37 59.437 59.437 57.680 1.757 25069 205 1 . 1 1 37 37 LEU CB C 37 41.804 41.804 41.758 0.046 25069 206 1 . 1 1 37 37 LEU H H 37 7.762 7.762 8.257 -0.495 25069 207 1 . 1 1 38 38 LEU N N 38 116.987 116.987 119.527 -2.540 25069 208 1 . 1 1 38 38 LEU HA H 38 3.665 3.665 4.142 -0.477 25069 209 1 . 1 1 38 38 LEU C C 38 178.279 178.279 179.657 -1.378 25069 210 1 . 1 1 38 38 LEU CA C 38 58.678 58.678 58.334 0.344 25069 211 1 . 1 1 38 38 LEU CB C 38 42.314 42.314 40.976 1.338 25069 212 1 . 1 1 38 38 LEU H H 38 8.532 8.532 8.613 -0.081 25069 213 1 . 1 1 39 39 THR N N 39 108.650 108.650 110.867 -2.217 25069 214 1 . 1 1 39 39 THR HA H 39 3.693 3.693 4.067 -0.374 25069 215 1 . 1 1 39 39 THR C C 39 176.231 176.231 176.884 -0.653 25069 216 1 . 1 1 39 39 THR CA C 39 65.997 65.997 65.948 0.049 25069 217 1 . 1 1 39 39 THR CB C 39 69.618 69.618 68.786 0.832 25069 218 1 . 1 1 39 39 THR H H 39 7.883 7.883 8.573 -0.690 25069 219 1 . 1 1 40 40 ARG N N 40 115.482 115.482 119.654 -4.172 25069 220 1 . 1 1 40 40 ARG HA H 40 4.152 4.152 4.312 -0.160 25069 221 1 . 1 1 40 40 ARG C C 40 178.520 178.520 178.296 0.224 25069 222 1 . 1 1 40 40 ARG CA C 40 58.035 58.035 58.172 -0.137 25069 223 1 . 1 1 40 40 ARG CB C 40 31.245 31.245 30.824 0.421 25069 224 1 . 1 1 40 40 ARG H H 40 8.015 8.015 7.974 0.041 25069 225 1 . 1 1 41 41 GLU N N 41 112.106 112.106 116.887 -4.781 25069 226 1 . 1 1 41 41 GLU HA H 41 4.834 4.834 4.411 0.423 25069 227 1 . 1 1 41 41 GLU C C 41 177.856 177.856 176.821 1.035 25069 228 1 . 1 1 41 41 GLU CA C 41 55.198 55.198 56.689 -1.491 25069 229 1 . 1 1 41 41 GLU CB C 41 30.321 30.321 30.644 -0.323 25069 230 1 . 1 1 41 41 GLU H H 41 8.463 8.463 8.416 0.047 25069 231 1 . 1 1 42 42 LEU N N 42 119.287 119.287 120.947 -1.660 25069 232 1 . 1 1 42 42 LEU HA H 42 5.052 5.052 4.961 0.091 25069 233 1 . 1 1 42 42 LEU C C 42 174.457 174.457 174.615 -0.158 25069 234 1 . 1 1 42 42 LEU CA C 42 52.838 52.838 52.587 0.251 25069 235 1 . 1 1 42 42 LEU CB C 42 44.083 44.083 42.112 1.971 25069 236 1 . 1 1 42 42 LEU H H 42 7.688 7.688 7.682 0.006 25069 237 1 . 1 1 43 43 PRO HA H 43 4.204 4.204 4.381 -0.177 25069 238 1 . 1 1 43 43 PRO C C 43 179.969 179.969 178.685 1.284 25069 239 1 . 1 1 43 43 PRO CA C 43 65.689 65.689 65.870 -0.180 25069 240 1 . 1 1 43 43 PRO CB C 43 30.827 30.827 31.985 -1.159 25069 241 1 . 1 1 44 44 SER N N 44 114.352 114.352 112.915 1.437 25069 242 1 . 1 1 44 44 SER HA H 44 4.093 4.093 4.246 -0.153 25069 243 1 . 1 1 44 44 SER C C 44 175.709 175.709 176.434 -0.726 25069 244 1 . 1 1 44 44 SER CA C 44 60.793 60.793 61.028 -0.235 25069 245 1 . 1 1 44 44 SER CB C 44 62.400 62.400 62.844 -0.444 25069 246 1 . 1 1 44 44 SER H H 44 8.674 8.674 8.266 0.408 25069 247 1 . 1 1 45 45 PHE N N 45 121.558 121.558 121.333 0.225 25069 248 1 . 1 1 45 45 PHE HA H 45 4.152 4.152 4.264 -0.112 25069 249 1 . 1 1 45 45 PHE C C 45 176.441 176.441 177.058 -0.617 25069 250 1 . 1 1 45 45 PHE CA C 45 60.334 60.334 61.021 -0.687 25069 251 1 . 1 1 45 45 PHE CB C 45 39.789 39.789 39.123 0.666 25069 252 1 . 1 1 45 45 PHE H H 45 7.952 7.952 8.110 -0.158 25069 253 1 . 1 1 46 46 LEU N N 46 117.590 117.590 116.070 1.520 25069 254 1 . 1 1 46 46 LEU HA H 46 3.836 3.836 4.365 -0.529 25069 255 1 . 1 1 46 46 LEU C C 46 178.236 178.236 179.123 -0.887 25069 256 1 . 1 1 46 46 LEU CA C 46 56.144 56.144 55.217 0.927 25069 257 1 . 1 1 46 46 LEU CB C 46 42.516 42.516 41.989 0.527 25069 258 1 . 1 1 46 46 LEU H H 46 7.906 7.906 8.111 -0.205 25069 259 1 . 1 1 47 47 GLY N N 47 104.817 104.817 109.005 -4.188 25069 260 1 . 1 1 47 47 GLY C C 47 174.665 174.665 175.691 -1.026 25069 261 1 . 1 1 47 47 GLY CA C 47 45.985 45.985 46.752 -0.767 25069 262 1 . 1 1 47 47 GLY H H 47 7.646 7.646 7.784 -0.138 25069 263 1 . 1 1 48 48 LYS N N 48 120.422 120.422 118.953 1.469 25069 264 1 . 1 1 48 48 LYS HA H 48 4.152 4.152 4.166 -0.014 25069 265 1 . 1 1 48 48 LYS C C 48 177.029 177.029 176.742 0.287 25069 266 1 . 1 1 48 48 LYS CA C 48 56.480 56.480 57.079 -0.600 25069 267 1 . 1 1 48 48 LYS CB C 48 32.252 32.252 32.905 -0.653 25069 268 1 . 1 1 48 48 LYS H H 48 8.400 8.400 7.363 1.037 25069 269 1 . 1 1 49 49 ARG N N 49 119.815 119.815 119.364 0.451 25069 270 1 . 1 1 49 49 ARG HA H 49 4.303 4.303 4.449 -0.146 25069 271 1 . 1 1 49 49 ARG C C 49 175.183 175.183 174.221 0.962 25069 272 1 . 1 1 49 49 ARG CA C 49 55.699 55.699 55.745 -0.046 25069 273 1 . 1 1 49 49 ARG CB C 49 29.507 29.507 31.072 -1.565 25069 274 1 . 1 1 49 49 ARG H H 49 7.801 7.801 7.612 0.189 25069 275 1 . 1 1 50 50 THR N N 50 110.525 110.525 114.639 -4.114 25069 276 1 . 1 1 50 50 THR HA H 50 4.091 4.091 4.305 -0.214 25069 277 1 . 1 1 50 50 THR C C 50 174.108 174.108 173.761 0.347 25069 278 1 . 1 1 50 50 THR CA C 50 61.579 61.579 61.282 0.297 25069 279 1 . 1 1 50 50 THR CB C 50 69.136 69.136 69.168 -0.032 25069 280 1 . 1 1 50 50 THR H H 50 7.808 7.808 8.030 -0.222 25069 281 1 . 1 1 51 51 ASP N N 51 121.073 121.073 124.523 -3.450 25069 282 1 . 1 1 51 51 ASP HA H 51 4.560 4.560 4.740 -0.180 25069 283 1 . 1 1 51 51 ASP C C 51 175.715 175.715 176.128 -0.413 25069 284 1 . 1 1 51 51 ASP CA C 51 53.054 53.054 53.192 -0.138 25069 285 1 . 1 1 51 51 ASP CB C 51 41.811 41.811 43.314 -1.503 25069 286 1 . 1 1 51 51 ASP H H 51 7.924 7.924 7.768 0.156 25069 287 1 . 1 1 52 52 GLU N N 52 120.418 120.418 122.563 -2.145 25069 288 1 . 1 1 52 52 GLU HA H 52 4.042 4.042 4.072 -0.030 25069 289 1 . 1 1 52 52 GLU C C 52 178.726 178.726 178.090 0.636 25069 290 1 . 1 1 52 52 GLU CA C 52 59.560 59.560 59.986 -0.426 25069 291 1 . 1 1 52 52 GLU CB C 52 29.384 29.384 29.717 -0.333 25069 292 1 . 1 1 52 52 GLU H H 52 8.515 8.515 8.971 -0.456 25069 293 1 . 1 1 53 53 ALA N N 53 120.807 120.807 121.457 -0.650 25069 294 1 . 1 1 53 53 ALA HA H 53 4.036 4.036 4.079 -0.043 25069 295 1 . 1 1 53 53 ALA C C 53 180.416 180.416 179.269 1.147 25069 296 1 . 1 1 53 53 ALA CA C 53 55.141 55.141 54.956 0.185 25069 297 1 . 1 1 53 53 ALA CB C 53 17.944 17.944 18.072 -0.128 25069 298 1 . 1 1 53 53 ALA H H 53 8.242 8.242 8.544 -0.302 25069 299 1 . 1 1 54 54 ALA N N 54 121.069 121.069 122.186 -1.117 25069 300 1 . 1 1 54 54 ALA HA H 54 3.927 3.927 4.058 -0.131 25069 301 1 . 1 1 54 54 ALA C C 54 180.846 180.846 179.590 1.256 25069 302 1 . 1 1 54 54 ALA CA C 54 54.977 54.977 54.764 0.214 25069 303 1 . 1 1 54 54 ALA CB C 54 18.337 18.337 18.157 0.180 25069 304 1 . 1 1 54 54 ALA H H 54 7.874 7.874 7.733 0.141 25069 305 1 . 1 1 55 55 PHE N N 55 118.066 118.066 118.188 -0.122 25069 306 1 . 1 1 55 55 PHE HA H 55 3.967 3.967 4.145 -0.178 25069 307 1 . 1 1 55 55 PHE C C 55 177.160 177.160 177.897 -0.737 25069 308 1 . 1 1 55 55 PHE CA C 55 62.029 62.029 61.501 0.528 25069 309 1 . 1 1 55 55 PHE CB C 55 38.832 38.832 38.209 0.623 25069 310 1 . 1 1 55 55 PHE H H 55 8.013 8.013 8.282 -0.269 25069 311 1 . 1 1 56 56 GLN N N 56 118.474 118.474 120.197 -1.724 25069 312 1 . 1 1 56 56 GLN HA H 56 3.740 3.740 3.975 -0.235 25069 313 1 . 1 1 56 56 GLN C C 56 178.531 178.531 178.141 0.389 25069 314 1 . 1 1 56 56 GLN CA C 56 58.832 58.832 59.099 -0.267 25069 315 1 . 1 1 56 56 GLN CB C 56 27.854 27.854 28.112 -0.258 25069 316 1 . 1 1 56 56 GLN H H 56 8.265 8.265 8.299 -0.034 25069 317 1 . 1 1 57 57 LYS N N 57 119.207 119.207 120.189 -0.982 25069 318 1 . 1 1 57 57 LYS HA H 57 3.853 3.853 4.080 -0.227 25069 319 1 . 1 1 57 57 LYS C C 57 178.458 178.458 179.403 -0.945 25069 320 1 . 1 1 57 57 LYS CA C 57 59.077 59.077 58.996 0.081 25069 321 1 . 1 1 57 57 LYS CB C 57 32.134 32.134 32.010 0.124 25069 322 1 . 1 1 57 57 LYS H H 57 7.622 7.622 8.128 -0.506 25069 323 1 . 1 1 58 58 LEU N N 58 119.398 119.398 121.775 -2.377 25069 324 1 . 1 1 58 58 LEU HA H 58 3.905 3.905 3.963 -0.058 25069 325 1 . 1 1 58 58 LEU C C 58 178.444 178.444 178.296 0.148 25069 326 1 . 1 1 58 58 LEU CA C 58 58.121 58.121 57.859 0.261 25069 327 1 . 1 1 58 58 LEU CB C 58 41.654 41.654 41.717 -0.063 25069 328 1 . 1 1 58 58 LEU H H 58 7.504 7.504 8.367 -0.863 25069 329 1 . 1 1 59 59 MET N N 59 116.434 116.434 119.705 -3.271 25069 330 1 . 1 1 59 59 MET HA H 59 3.614 3.614 3.889 -0.275 25069 331 1 . 1 1 59 59 MET C C 59 177.513 177.513 177.961 -0.448 25069 332 1 . 1 1 59 59 MET CA C 59 58.765 58.765 59.552 -0.787 25069 333 1 . 1 1 59 59 MET CB C 59 31.060 31.060 32.152 -1.092 25069 334 1 . 1 1 59 59 MET H H 59 8.049 8.049 8.677 -0.629 25069 335 1 . 1 1 60 60 SER N N 60 111.447 111.447 114.134 -2.687 25069 336 1 . 1 1 60 60 SER HA H 60 4.066 4.066 4.146 -0.080 25069 337 1 . 1 1 60 60 SER C C 60 175.986 175.986 176.685 -0.699 25069 338 1 . 1 1 60 60 SER CA C 60 61.416 61.416 61.155 0.261 25069 339 1 . 1 1 60 60 SER CB C 60 62.945 62.945 62.506 0.439 25069 340 1 . 1 1 60 60 SER H H 60 7.839 7.839 8.149 -0.310 25069 341 1 . 1 1 61 61 ASN N N 61 117.559 117.559 119.779 -2.220 25069 342 1 . 1 1 61 61 ASN HA H 61 4.350 4.350 4.576 -0.226 25069 343 1 . 1 1 61 61 ASN C C 61 176.377 176.377 177.212 -0.835 25069 344 1 . 1 1 61 61 ASN CA C 61 55.003 55.003 55.443 -0.440 25069 345 1 . 1 1 61 61 ASN CB C 61 38.873 38.873 38.641 0.232 25069 346 1 . 1 1 61 61 ASN H H 61 7.615 7.615 7.865 -0.250 25069 347 1 . 1 1 62 62 LEU N N 62 117.926 117.926 117.590 0.336 25069 348 1 . 1 1 62 62 LEU HA H 62 4.028 4.028 4.261 -0.233 25069 349 1 . 1 1 62 62 LEU C C 62 178.394 178.394 177.729 0.665 25069 350 1 . 1 1 62 62 LEU CA C 62 56.997 56.997 56.446 0.551 25069 351 1 . 1 1 62 62 LEU CB C 62 43.402 43.402 42.242 1.160 25069 352 1 . 1 1 62 62 LEU H H 62 7.719 7.719 7.976 -0.257 25069 353 1 . 1 1 63 63 ASP N N 63 115.899 115.899 119.226 -3.327 25069 354 1 . 1 1 63 63 ASP HA H 63 4.568 4.568 4.735 -0.167 25069 355 1 . 1 1 63 63 ASP C C 63 176.866 176.866 176.551 0.315 25069 356 1 . 1 1 63 63 ASP CA C 63 52.740 52.740 54.129 -1.389 25069 357 1 . 1 1 63 63 ASP CB C 63 39.486 39.486 40.024 -0.538 25069 358 1 . 1 1 63 63 ASP H H 63 7.707 7.707 8.411 -0.704 25069 359 1 . 1 1 64 64 SER N N 64 121.158 121.158 122.386 -1.228 25069 360 1 . 1 1 64 64 SER HA H 64 4.080 4.080 4.343 -0.263 25069 361 1 . 1 1 64 64 SER C C 64 175.780 175.780 175.528 0.252 25069 362 1 . 1 1 64 64 SER CA C 64 60.698 60.698 60.282 0.416 25069 363 1 . 1 1 64 64 SER CB C 64 63.034 63.034 63.367 -0.333 25069 364 1 . 1 1 64 64 SER H H 64 8.034 8.034 8.672 -0.638 25069 365 1 . 1 1 65 65 ASN N N 65 115.443 115.443 118.464 -3.021 25069 366 1 . 1 1 65 65 ASN HA H 65 4.664 4.664 4.613 0.051 25069 367 1 . 1 1 65 65 ASN C C 65 174.775 174.775 175.268 -0.493 25069 368 1 . 1 1 65 65 ASN CA C 65 51.999 51.999 53.681 -1.682 25069 369 1 . 1 1 65 65 ASN CB C 65 37.171 37.171 38.818 -1.647 25069 370 1 . 1 1 65 65 ASN H H 65 8.055 8.055 8.182 -0.127 25069 371 1 . 1 1 66 66 ARG N N 66 114.242 114.242 116.894 -2.652 25069 372 1 . 1 1 66 66 ARG HA H 66 3.927 3.927 4.368 -0.441 25069 373 1 . 1 1 66 66 ARG C C 66 175.354 175.354 175.242 0.113 25069 374 1 . 1 1 66 66 ARG CA C 66 57.159 57.159 57.104 0.055 25069 375 1 . 1 1 66 66 ARG CB C 66 26.853 26.853 27.186 -0.333 25069 376 1 . 1 1 66 66 ARG H H 66 7.560 7.560 8.067 -0.507 25069 377 1 . 1 1 67 67 ASP N N 67 118.260 118.260 119.714 -1.454 25069 378 1 . 1 1 67 67 ASP HA H 67 4.602 4.602 4.744 -0.142 25069 379 1 . 1 1 67 67 ASP C C 67 177.143 177.143 176.115 1.028 25069 380 1 . 1 1 67 67 ASP CA C 67 53.019 53.019 53.593 -0.574 25069 381 1 . 1 1 67 67 ASP CB C 67 40.704 40.704 41.689 -0.986 25069 382 1 . 1 1 67 67 ASP H H 67 8.406 8.406 8.642 -0.236 25069 383 1 . 1 1 68 68 ASN N N 68 115.091 115.091 115.133 -0.042 25069 384 1 . 1 1 68 68 ASN HA H 68 3.979 3.979 4.394 -0.415 25069 385 1 . 1 1 68 68 ASN C C 68 173.046 173.046 173.301 -0.255 25069 386 1 . 1 1 68 68 ASN CA C 68 55.337 55.337 54.515 0.822 25069 387 1 . 1 1 68 68 ASN CB C 68 37.890 37.890 37.767 0.123 25069 388 1 . 1 1 68 68 ASN H H 68 10.021 10.021 8.854 1.167 25069 389 1 . 1 1 69 69 GLU N N 69 115.671 115.671 116.758 -1.087 25069 390 1 . 1 1 69 69 GLU HA H 69 4.698 4.698 4.998 -0.300 25069 391 1 . 1 1 69 69 GLU C C 69 175.335 175.335 175.248 0.087 25069 392 1 . 1 1 69 69 GLU CA C 69 54.871 54.871 54.964 -0.093 25069 393 1 . 1 1 69 69 GLU CB C 69 35.633 35.633 33.090 2.543 25069 394 1 . 1 1 69 69 GLU H H 69 7.724 7.724 7.791 -0.067 25069 395 1 . 1 1 70 70 VAL N N 70 124.606 124.606 125.754 -1.148 25069 396 1 . 1 1 70 70 VAL HA H 70 5.135 5.135 4.254 0.881 25069 397 1 . 1 1 70 70 VAL C C 70 175.876 175.876 176.089 -0.213 25069 398 1 . 1 1 70 70 VAL CA C 70 61.142 61.142 62.690 -1.548 25069 399 1 . 1 1 70 70 VAL CB C 70 33.557 33.557 32.363 1.194 25069 400 1 . 1 1 70 70 VAL H H 70 9.814 9.814 8.781 1.033 25069 401 1 . 1 1 71 71 ASP N N 71 127.612 127.612 127.829 -0.217 25069 402 1 . 1 1 71 71 ASP HA H 71 5.025 5.025 5.335 -0.310 25069 403 1 . 1 1 71 71 ASP C C 71 175.018 175.018 177.533 -2.515 25069 404 1 . 1 1 71 71 ASP CA C 71 52.561 52.561 53.170 -0.609 25069 405 1 . 1 1 71 71 ASP CB C 71 41.979 41.979 42.970 -0.991 25069 406 1 . 1 1 71 71 ASP H H 71 8.896 8.896 9.018 -0.122 25069 407 1 . 1 1 72 72 PHE N N 72 117.738 117.738 118.840 -1.102 25069 408 1 . 1 1 72 72 PHE C C 72 177.390 177.390 177.691 -0.301 25069 409 1 . 1 1 72 72 PHE CA C 72 63.026 63.026 62.127 0.899 25069 410 1 . 1 1 72 72 PHE CB C 72 39.228 39.228 38.557 0.671 25069 411 1 . 1 1 72 72 PHE H H 72 8.993 8.993 8.320 0.673 25069 412 1 . 1 1 73 73 GLN N N 73 120.479 120.479 118.622 1.857 25069 413 1 . 1 1 73 73 GLN HA H 73 3.804 3.804 3.948 -0.144 25069 414 1 . 1 1 73 73 GLN C C 73 178.583 178.583 178.074 0.509 25069 415 1 . 1 1 73 73 GLN CA C 73 60.060 60.060 59.487 0.573 25069 416 1 . 1 1 73 73 GLN CB C 73 27.828 27.828 28.553 -0.725 25069 417 1 . 1 1 73 73 GLN H H 73 8.246 8.246 9.085 -0.839 25069 418 1 . 1 1 74 74 GLU N N 74 120.179 120.179 119.380 0.799 25069 419 1 . 1 1 74 74 GLU HA H 74 3.844 3.844 4.057 -0.213 25069 420 1 . 1 1 74 74 GLU C C 74 180.584 180.584 179.255 1.329 25069 421 1 . 1 1 74 74 GLU CA C 74 59.013 59.013 59.267 -0.254 25069 422 1 . 1 1 74 74 GLU CB C 74 30.406 30.406 29.417 0.989 25069 423 1 . 1 1 74 74 GLU H H 74 8.782 8.782 8.848 -0.066 25069 424 1 . 1 1 75 75 TYR N N 75 122.109 122.109 121.014 1.095 25069 425 1 . 1 1 75 75 TYR HA H 75 4.012 4.012 4.387 -0.374 25069 426 1 . 1 1 75 75 TYR C C 75 175.383 175.383 177.317 -1.934 25069 427 1 . 1 1 75 75 TYR CA C 75 60.223 60.223 60.900 -0.677 25069 428 1 . 1 1 75 75 TYR CB C 75 38.790 38.790 38.656 0.134 25069 429 1 . 1 1 75 75 TYR H H 75 8.619 8.619 8.504 0.115 25069 430 1 . 1 1 76 76 SER N N 76 117.790 117.790 116.108 1.682 25069 431 1 . 1 1 76 76 SER HA H 76 3.326 3.326 3.972 -0.646 25069 432 1 . 1 1 76 76 SER C C 76 176.930 176.930 176.660 0.270 25069 433 1 . 1 1 76 76 SER CA C 76 62.377 62.377 62.016 0.361 25069 434 1 . 1 1 76 76 SER CB C 76 62.573 62.573 62.753 -0.180 25069 435 1 . 1 1 76 76 SER H H 76 8.654 8.654 8.209 0.445 25069 436 1 . 1 1 77 77 VAL N N 77 123.033 123.033 122.783 0.250 25069 437 1 . 1 1 77 77 VAL HA H 77 3.579 3.579 3.786 -0.207 25069 438 1 . 1 1 77 77 VAL C C 77 178.969 178.969 177.800 1.169 25069 439 1 . 1 1 77 77 VAL CA C 77 66.096 66.096 66.057 0.039 25069 440 1 . 1 1 77 77 VAL CB C 77 31.977 31.977 31.270 0.707 25069 441 1 . 1 1 77 77 VAL H H 77 7.844 7.844 8.470 -0.626 25069 442 1 . 1 1 78 78 PHE N N 78 121.473 121.473 121.932 -0.459 25069 443 1 . 1 1 78 78 PHE HA H 78 4.348 4.348 4.120 0.228 25069 444 1 . 1 1 78 78 PHE C C 78 177.726 177.726 177.026 0.700 25069 445 1 . 1 1 78 78 PHE CA C 78 59.329 59.329 60.604 -1.275 25069 446 1 . 1 1 78 78 PHE CB C 78 38.544 38.544 38.552 -0.008 25069 447 1 . 1 1 78 78 PHE H H 78 7.439 7.439 7.651 -0.212 25069 448 1 . 1 1 79 79 LEU N N 79 118.574 118.574 117.983 0.591 25069 449 1 . 1 1 79 79 LEU HA H 79 3.230 3.230 3.156 0.074 25069 450 1 . 1 1 79 79 LEU C C 79 178.837 178.837 178.813 0.024 25069 451 1 . 1 1 79 79 LEU CA C 79 57.730 57.730 57.672 0.058 25069 452 1 . 1 1 79 79 LEU CB C 79 40.452 40.452 40.919 -0.466 25069 453 1 . 1 1 79 79 LEU H H 79 8.298 8.298 7.994 0.304 25069 454 1 . 1 1 80 80 SER N N 80 112.827 112.827 115.178 -2.351 25069 455 1 . 1 1 80 80 SER HA H 80 3.978 3.978 4.026 -0.048 25069 456 1 . 1 1 80 80 SER C C 80 175.796 175.796 176.753 -0.957 25069 457 1 . 1 1 80 80 SER CA C 80 62.278 62.278 61.836 0.442 25069 458 1 . 1 1 80 80 SER CB C 80 63.148 63.148 62.646 0.502 25069 459 1 . 1 1 80 80 SER H H 80 7.728 7.728 8.260 -0.532 25069 460 1 . 1 1 81 81 SER N N 81 117.584 117.584 119.022 -1.438 25069 461 1 . 1 1 81 81 SER HA H 81 4.151 4.151 4.161 -0.010 25069 462 1 . 1 1 81 81 SER C C 81 176.761 176.761 176.693 0.068 25069 463 1 . 1 1 81 81 SER CA C 81 61.673 61.673 61.774 -0.101 25069 464 1 . 1 1 81 81 SER CB C 81 62.441 62.441 62.754 -0.313 25069 465 1 . 1 1 81 81 SER H H 81 7.703 7.703 8.095 -0.392 25069 466 1 . 1 1 82 82 ILE N N 82 122.194 122.194 122.151 0.043 25069 467 1 . 1 1 82 82 ILE HA H 82 3.648 3.648 3.609 0.039 25069 468 1 . 1 1 82 82 ILE C C 82 178.743 178.743 177.619 1.124 25069 469 1 . 1 1 82 82 ILE CA C 82 64.149 64.149 65.358 -1.209 25069 470 1 . 1 1 82 82 ILE CB C 82 36.725 36.725 37.214 -0.489 25069 471 1 . 1 1 82 82 ILE H H 82 7.490 7.490 7.953 -0.463 25069 472 1 . 1 1 83 83 ALA N N 83 123.288 123.288 122.217 1.071 25069 473 1 . 1 1 83 83 ALA HA H 83 3.814 3.814 3.983 -0.169 25069 474 1 . 1 1 83 83 ALA C C 83 179.019 179.019 179.860 -0.841 25069 475 1 . 1 1 83 83 ALA CA C 83 55.527 55.527 54.986 0.541 25069 476 1 . 1 1 83 83 ALA CB C 83 17.649 17.649 18.369 -0.720 25069 477 1 . 1 1 83 83 ALA H H 83 8.190 8.190 7.696 0.494 25069 478 1 . 1 1 84 84 MET N N 84 114.549 114.549 117.895 -3.346 25069 479 1 . 1 1 84 84 MET HA H 84 4.660 4.660 4.185 0.475 25069 480 1 . 1 1 84 84 MET C C 84 174.776 174.776 178.595 -3.819 25069 481 1 . 1 1 84 84 MET CA C 84 58.603 58.603 59.124 -0.521 25069 482 1 . 1 1 84 84 MET CB C 84 37.147 37.147 32.683 4.464 25069 483 1 . 1 1 84 84 MET H H 84 8.060 8.060 8.405 -0.345 25069 484 1 . 1 1 85 85 MET N N 85 114.638 114.638 118.928 -4.290 25069 485 1 . 1 1 85 85 MET HA H 85 4.079 4.079 4.316 -0.237 25069 486 1 . 1 1 85 85 MET C C 85 178.153 178.153 178.918 -0.765 25069 487 1 . 1 1 85 85 MET CA C 85 58.444 58.444 57.867 0.577 25069 488 1 . 1 1 85 85 MET CB C 85 32.523 32.523 31.520 1.003 25069 489 1 . 1 1 85 85 MET H H 85 8.097 8.097 8.560 -0.463 25069 490 1 . 1 1 86 86 SER N N 86 114.719 114.719 115.128 -0.409 25069 491 1 . 1 1 86 86 SER HA H 86 4.184 4.184 4.276 -0.092 25069 492 1 . 1 1 86 86 SER C C 86 176.656 176.656 176.532 0.124 25069 493 1 . 1 1 86 86 SER CA C 86 60.867 60.867 61.675 -0.808 25069 494 1 . 1 1 86 86 SER CB C 86 63.250 63.250 62.861 0.389 25069 495 1 . 1 1 86 86 SER H H 86 8.119 8.119 8.700 -0.581 25069 496 1 . 1 1 87 87 ASN N N 87 119.754 119.754 119.713 0.041 25069 497 1 . 1 1 87 87 ASN HA H 87 4.578 4.578 4.640 -0.062 25069 498 1 . 1 1 87 87 ASN C C 87 176.062 176.062 177.465 -1.403 25069 499 1 . 1 1 87 87 ASN CA C 87 56.176 56.176 55.966 0.210 25069 500 1 . 1 1 87 87 ASN CB C 87 38.748 38.748 38.902 -0.154 25069 501 1 . 1 1 87 87 ASN H H 87 8.328 8.328 7.796 0.532 25069 502 1 . 1 1 88 88 GLU N N 88 117.928 117.928 120.336 -2.408 25069 503 1 . 1 1 88 88 GLU HA H 88 3.739 3.739 4.185 -0.446 25069 504 1 . 1 1 88 88 GLU C C 88 177.870 177.870 178.899 -1.029 25069 505 1 . 1 1 88 88 GLU CA C 88 58.932 58.932 59.065 -0.133 25069 506 1 . 1 1 88 88 GLU CB C 88 29.281 29.281 29.442 -0.161 25069 507 1 . 1 1 88 88 GLU H H 88 7.747 7.747 8.658 -0.911 25069 508 1 . 1 1 89 89 PHE N N 89 116.133 116.133 119.150 -3.017 25069 509 1 . 1 1 89 89 PHE HA H 89 4.169 4.169 4.345 -0.176 25069 510 1 . 1 1 89 89 PHE C C 89 176.404 176.404 176.850 -0.446 25069 511 1 . 1 1 89 89 PHE CA C 89 59.056 59.056 59.552 -0.496 25069 512 1 . 1 1 89 89 PHE CB C 89 38.842 38.842 39.297 -0.455 25069 513 1 . 1 1 89 89 PHE H H 89 7.465 7.465 8.132 -0.667 25069 514 1 . 1 1 90 90 PHE N N 90 119.130 119.130 120.557 -1.427 25069 515 1 . 1 1 90 90 PHE HA H 90 4.055 4.055 4.143 -0.088 25069 516 1 . 1 1 90 90 PHE C C 90 176.420 176.420 176.489 -0.069 25069 517 1 . 1 1 90 90 PHE CA C 90 59.770 59.770 60.646 -0.876 25069 518 1 . 1 1 90 90 PHE CB C 90 39.313 39.313 39.310 0.003 25069 519 1 . 1 1 90 90 PHE H H 90 7.537 7.537 7.684 -0.147 25069 520 1 . 1 1 91 91 GLU N N 91 118.971 118.971 117.395 1.576 25069 521 1 . 1 1 91 91 GLU HA H 91 3.740 3.740 4.137 -0.397 25069 522 1 . 1 1 91 91 GLU C C 91 176.491 176.491 177.448 -0.957 25069 523 1 . 1 1 91 91 GLU CA C 91 57.231 57.231 57.097 0.134 25069 524 1 . 1 1 91 91 GLU CB C 91 30.048 30.048 30.261 -0.213 25069 525 1 . 1 1 91 91 GLU H H 91 7.938 7.938 8.040 -0.102 25069 526 1 . 1 1 92 92 GLY N N 92 105.912 105.912 106.296 -0.384 25069 527 1 . 1 1 92 92 GLY C C 92 173.288 173.288 173.659 -0.371 25069 528 1 . 1 1 92 92 GLY CA C 92 45.064 45.064 45.005 0.059 25069 529 1 . 1 1 92 92 GLY H H 92 7.201 7.201 7.762 -0.561 25069 530 1 . 1 1 93 93 PHE N N 93 118.877 118.877 118.778 0.099 25069 531 1 . 1 1 93 93 PHE C C 93 174.128 174.128 173.207 0.921 25069 532 1 . 1 1 93 93 PHE CA C 93 56.209 56.209 54.820 1.389 25069 533 1 . 1 1 93 93 PHE CB C 93 38.770 38.770 41.121 -2.351 25069 534 1 . 1 1 93 93 PHE H H 93 7.844 7.844 7.453 0.391 25069 535 1 . 1 1 94 94 PRO HA H 94 4.206 4.206 4.621 -0.415 25069 536 1 . 1 1 94 94 PRO C C 94 176.669 176.669 175.762 0.907 25069 537 1 . 1 1 94 94 PRO CA C 94 63.701 63.701 63.111 0.590 25069 538 1 . 1 1 94 94 PRO CB C 94 31.836 31.836 30.788 1.048 25069 539 1 . 1 1 95 95 ASP N N 95 118.031 118.031 122.645 -4.614 25069 540 1 . 1 1 95 95 ASP HA H 95 4.407 4.407 4.668 -0.261 25069 541 1 . 1 1 95 95 ASP C C 95 176.139 176.139 176.774 -0.635 25069 542 1 . 1 1 95 95 ASP CA C 95 54.481 54.481 54.532 -0.051 25069 543 1 . 1 1 95 95 ASP CB C 95 41.021 41.021 42.116 -1.095 25069 544 1 . 1 1 95 95 ASP H H 95 8.144 8.144 8.813 -0.669 25069 545 1 . 1 1 96 96 LYS N N 96 119.472 119.472 118.093 1.379 25069 546 1 . 1 1 96 96 LYS HA H 96 4.137 4.137 4.301 -0.164 25069 547 1 . 1 1 96 96 LYS C C 96 176.212 176.212 176.595 -0.383 25069 548 1 . 1 1 96 96 LYS CA C 96 56.179 56.179 56.979 -0.800 25069 549 1 . 1 1 96 96 LYS CB C 96 32.783 32.783 32.402 0.382 25069 550 1 . 1 1 96 96 LYS H H 96 7.980 7.980 7.944 0.036 25069 551 1 . 1 1 97 97 GLN N N 97 120.185 120.185 119.050 1.135 25069 552 1 . 1 1 97 97 GLN HA H 97 4.421 4.421 4.670 -0.249 25069 553 1 . 1 1 97 97 GLN C C 97 173.700 173.700 174.350 -0.650 25069 554 1 . 1 1 97 97 GLN CA C 97 53.803 53.803 52.811 0.992 25069 555 1 . 1 1 97 97 GLN CB C 97 28.732 28.732 28.516 0.216 25069 556 1 . 1 1 97 97 GLN H H 97 8.007 8.007 7.648 0.359 25069 557 1 . 1 1 98 98 PRO HA H 98 4.243 4.243 4.513 -0.270 25069 558 1 . 1 1 98 98 PRO C C 98 176.605 176.605 176.967 -0.362 25069 559 1 . 1 1 98 98 PRO CA C 98 63.014 63.014 63.406 -0.392 25069 560 1 . 1 1 98 98 PRO CB C 98 31.937 31.937 31.688 0.249 25069 561 1 . 1 1 99 99 ARG N N 99 120.677 120.677 117.633 3.044 25069 562 1 . 1 1 99 99 ARG HA H 99 4.145 4.145 4.059 0.086 25069 563 1 . 1 1 99 99 ARG C C 99 176.053 176.053 176.691 -0.638 25069 564 1 . 1 1 99 99 ARG CA C 99 55.972 55.972 57.699 -1.727 25069 565 1 . 1 1 99 99 ARG CB C 99 30.894 30.894 28.813 2.081 25069 566 1 . 1 1 99 99 ARG H H 99 8.254 8.254 8.333 -0.079 25069 567 1 . 1 1 100 100 LYS N N 100 122.775 122.775 119.028 3.747 25069 568 1 . 1 1 100 100 LYS HA H 100 4.144 4.144 4.216 -0.072 25069 569 1 . 1 1 100 100 LYS C C 100 175.376 175.376 175.988 -0.612 25069 570 1 . 1 1 100 100 LYS CA C 100 56.396 56.396 57.078 -0.682 25069 571 1 . 1 1 100 100 LYS CB C 100 33.289 33.289 32.868 0.421 25069 572 1 . 1 1 100 100 LYS H H 100 8.230 8.230 8.012 0.218 25069 stop_ save_