data_25469 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25469 _Entry.PDB_ID 2MZ1 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 25469 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 SER HA H 3 4.553 4.553 4.465 0.088 25469 2 1 1 . 1 1 3 3 SER C C 3 173.408 173.408 174.876 -1.468 25469 3 1 1 . 1 1 3 3 SER CA C 3 58.273 58.273 57.789 0.484 25469 4 1 1 . 1 1 3 3 SER CB C 3 63.940 63.940 63.897 0.043 25469 5 1 1 . 1 1 4 4 ASN N N 4 120.235 120.235 119.369 0.866 25469 6 1 1 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.904 0.313 25469 7 1 1 . 1 1 4 4 ASN C C 4 176.243 176.243 174.428 1.815 25469 8 1 1 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.164 -0.120 25469 9 1 1 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.893 -0.161 25469 10 1 1 . 1 1 4 4 ASN H H 4 8.774 8.774 8.654 0.120 25469 11 1 1 . 1 1 5 5 VAL N N 5 122.554 122.554 119.435 3.119 25469 12 1 1 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.180 -0.411 25469 13 1 1 . 1 1 5 5 VAL C C 5 177.223 177.223 175.641 1.582 25469 14 1 1 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.435 3.376 25469 15 1 1 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.892 -2.018 25469 16 1 1 . 1 1 5 5 VAL H H 5 8.315 8.315 7.602 0.713 25469 17 1 1 . 1 1 6 6 THR N N 6 118.503 118.503 116.010 2.493 25469 18 1 1 . 1 1 6 6 THR HA H 6 4.678 4.678 4.557 0.121 25469 19 1 1 . 1 1 6 6 THR C C 6 174.350 174.350 173.529 0.821 25469 20 1 1 . 1 1 6 6 THR CA C 6 60.560 60.560 61.492 -0.932 25469 21 1 1 . 1 1 6 6 THR CB C 6 69.833 69.833 69.707 0.126 25469 22 1 1 . 1 1 6 6 THR H H 6 9.394 9.394 8.455 0.939 25469 23 1 1 . 1 1 7 7 ASN N N 7 120.872 120.872 118.292 2.580 25469 24 1 1 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.520 0.036 25469 25 1 1 . 1 1 7 7 ASN C C 7 176.866 176.866 175.707 1.159 25469 26 1 1 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.690 -0.792 25469 27 1 1 . 1 1 7 7 ASN CB C 7 38.082 38.082 37.700 0.383 25469 28 1 1 . 1 1 7 7 ASN H H 7 7.976 7.976 8.015 -0.039 25469 29 1 1 . 1 1 8 8 LYS N N 8 121.728 121.728 121.499 0.229 25469 30 1 1 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.300 -0.044 25469 31 1 1 . 1 1 8 8 LYS C C 8 180.142 180.142 176.892 3.250 25469 32 1 1 . 1 1 8 8 LYS CA C 8 58.200 58.200 57.230 0.970 25469 33 1 1 . 1 1 8 8 LYS CB C 8 32.292 32.292 32.773 -0.481 25469 34 1 1 . 1 1 8 8 LYS H H 8 8.572 8.572 8.091 0.481 25469 35 1 1 . 1 1 9 9 THR N N 9 110.858 110.858 113.474 -2.616 25469 36 1 1 . 1 1 9 9 THR HA H 9 4.463 4.463 4.407 0.056 25469 37 1 1 . 1 1 9 9 THR C C 9 174.485 174.485 173.676 0.809 25469 38 1 1 . 1 1 9 9 THR CA C 9 61.246 61.246 60.596 0.650 25469 39 1 1 . 1 1 9 9 THR CB C 9 69.039 69.039 69.389 -0.350 25469 40 1 1 . 1 1 9 9 THR H H 9 8.691 8.691 8.515 0.176 25469 41 1 1 . 1 1 10 10 ASP N N 10 121.014 121.014 124.108 -3.094 25469 42 1 1 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.715 0.110 25469 43 1 1 . 1 1 10 10 ASP C C 10 173.946 173.946 176.717 -2.771 25469 44 1 1 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.466 -0.902 25469 45 1 1 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.304 -1.703 25469 46 1 1 . 1 1 10 10 ASP H H 10 7.907 7.907 7.916 -0.009 25469 47 1 1 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.358 -0.203 25469 48 1 1 . 1 1 11 11 PRO C C 11 178.421 178.421 176.494 1.927 25469 49 1 1 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.643 1.598 25469 50 1 1 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.099 0.099 25469 51 1 1 . 1 1 12 12 ARG N N 12 116.361 116.361 117.156 -0.795 25469 52 1 1 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.533 -0.441 25469 53 1 1 . 1 1 12 12 ARG C C 12 180.446 180.446 177.081 3.365 25469 54 1 1 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.635 1.900 25469 55 1 1 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.279 -2.029 25469 56 1 1 . 1 1 12 12 ARG H H 12 7.940 7.940 8.170 -0.230 25469 57 1 1 . 1 1 13 13 SER N N 13 119.379 119.379 116.545 2.834 25469 58 1 1 . 1 1 13 13 SER HA H 13 4.052 4.052 4.443 -0.391 25469 59 1 1 . 1 1 13 13 SER C C 13 178.762 178.762 175.627 3.135 25469 60 1 1 . 1 1 13 13 SER CA C 13 61.529 61.529 61.199 0.330 25469 61 1 1 . 1 1 13 13 SER CB C 13 61.778 61.778 63.468 -1.690 25469 62 1 1 . 1 1 13 13 SER H H 13 8.143 8.143 8.227 -0.084 25469 63 1 1 . 1 1 14 14 MET N N 14 120.327 120.327 114.727 5.600 25469 64 1 1 . 1 1 14 14 MET HA H 14 4.097 4.097 4.490 -0.393 25469 65 1 1 . 1 1 14 14 MET C C 14 178.576 178.576 175.151 3.425 25469 66 1 1 . 1 1 14 14 MET CA C 14 58.293 58.293 57.137 1.156 25469 67 1 1 . 1 1 14 14 MET CB C 14 31.813 31.813 32.908 -1.095 25469 68 1 1 . 1 1 14 14 MET H H 14 8.238 8.238 7.719 0.519 25469 69 1 1 . 1 1 15 15 ASN N N 15 115.378 115.378 117.234 -1.856 25469 70 1 1 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.907 -0.282 25469 71 1 1 . 1 1 15 15 ASN C C 15 172.556 172.556 176.958 -4.402 25469 72 1 1 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.519 -0.490 25469 73 1 1 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.270 -2.620 25469 74 1 1 . 1 1 15 15 ASN H H 15 7.968 7.968 7.654 0.314 25469 75 1 1 . 1 1 16 16 SER N N 16 106.215 106.215 115.380 -9.165 25469 76 1 1 . 1 1 16 16 SER HA H 16 4.495 4.495 4.643 -0.148 25469 77 1 1 . 1 1 16 16 SER C C 16 172.121 172.121 173.888 -1.767 25469 78 1 1 . 1 1 16 16 SER CA C 16 56.785 56.785 59.206 -2.421 25469 79 1 1 . 1 1 16 16 SER CB C 16 63.428 63.428 63.680 -0.252 25469 80 1 1 . 1 1 16 16 SER H H 16 7.253 7.253 8.159 -0.906 25469 81 1 1 . 1 1 17 17 ARG N N 17 123.348 123.348 122.512 0.836 25469 82 1 1 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.310 0.282 25469 83 1 1 . 1 1 17 17 ARG C C 17 174.491 174.491 174.774 -0.283 25469 84 1 1 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.639 -1.260 25469 85 1 1 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.327 -0.417 25469 86 1 1 . 1 1 17 17 ARG H H 17 7.405 7.405 7.570 -0.165 25469 87 1 1 . 1 1 18 18 VAL N N 18 122.328 122.328 122.714 -0.386 25469 88 1 1 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.480 0.229 25469 89 1 1 . 1 1 18 18 VAL C C 18 174.863 174.863 174.341 0.522 25469 90 1 1 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.663 -1.006 25469 91 1 1 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.847 -0.545 25469 92 1 1 . 1 1 18 18 VAL H H 18 9.260 9.260 8.974 0.286 25469 93 1 1 . 1 1 19 19 PHE N N 19 126.010 126.010 128.912 -2.902 25469 94 1 1 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.431 0.035 25469 95 1 1 . 1 1 19 19 PHE C C 19 171.967 171.967 173.730 -1.763 25469 96 1 1 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.190 1.919 25469 97 1 1 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.250 -0.227 25469 98 1 1 . 1 1 19 19 PHE H H 19 9.159 9.159 9.282 -0.123 25469 99 1 1 . 1 1 20 20 ILE N N 20 126.422 126.422 127.913 -1.491 25469 100 1 1 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.131 -0.270 25469 101 1 1 . 1 1 20 20 ILE C C 20 173.050 173.050 174.457 -1.407 25469 102 1 1 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.996 -0.648 25469 103 1 1 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.163 1.037 25469 104 1 1 . 1 1 20 20 ILE H H 20 7.716 7.716 8.440 -0.724 25469 105 1 1 . 1 1 21 21 GLY N N 21 113.182 113.182 111.178 2.004 25469 106 1 1 . 1 1 21 21 GLY C C 21 173.769 173.769 173.870 -0.101 25469 107 1 1 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.075 0.785 25469 108 1 1 . 1 1 21 21 GLY H H 21 8.550 8.550 7.945 0.605 25469 109 1 1 . 1 1 22 22 ASN N N 22 116.072 116.072 115.197 0.875 25469 110 1 1 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.319 0.028 25469 111 1 1 . 1 1 22 22 ASN C C 22 174.205 174.205 174.075 0.130 25469 112 1 1 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.779 -0.346 25469 113 1 1 . 1 1 22 22 ASN CB C 22 38.826 38.826 38.120 0.706 25469 114 1 1 . 1 1 22 22 ASN H H 22 7.291 7.291 8.554 -1.263 25469 115 1 1 . 1 1 23 23 LEU N N 23 118.873 118.873 118.387 0.486 25469 116 1 1 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.620 -0.692 25469 117 1 1 . 1 1 23 23 LEU C C 23 176.551 176.551 176.413 0.138 25469 118 1 1 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.614 -0.948 25469 119 1 1 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.006 0.343 25469 120 1 1 . 1 1 23 23 LEU H H 23 7.279 7.279 7.824 -0.545 25469 121 1 1 . 1 1 24 24 ASN N N 24 124.260 124.260 123.446 0.814 25469 122 1 1 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.482 0.277 25469 123 1 1 . 1 1 24 24 ASN C C 24 175.831 175.831 175.745 0.086 25469 124 1 1 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.504 -3.864 25469 125 1 1 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.525 -2.970 25469 126 1 1 . 1 1 24 24 ASN H H 24 9.075 9.075 8.762 0.313 25469 127 1 1 . 1 1 25 25 THR N N 25 118.101 118.101 107.734 10.367 25469 128 1 1 . 1 1 25 25 THR HA H 25 4.377 4.377 4.106 0.271 25469 129 1 1 . 1 1 25 25 THR C C 25 175.286 175.286 174.495 0.791 25469 130 1 1 . 1 1 25 25 THR CA C 25 63.324 63.324 64.171 -0.847 25469 131 1 1 . 1 1 25 25 THR CB C 25 67.439 67.439 67.036 0.403 25469 132 1 1 . 1 1 25 25 THR H H 25 8.226 8.226 8.162 0.064 25469 133 1 1 . 1 1 26 26 LEU N N 26 121.285 121.285 119.331 1.954 25469 134 1 1 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.395 -0.084 25469 135 1 1 . 1 1 26 26 LEU C C 26 178.244 178.244 178.170 0.074 25469 136 1 1 . 1 1 26 26 LEU CA C 26 57.314 57.314 57.005 0.309 25469 137 1 1 . 1 1 26 26 LEU CB C 26 41.328 41.328 41.440 -0.112 25469 138 1 1 . 1 1 26 26 LEU H H 26 7.670 7.670 8.075 -0.405 25469 139 1 1 . 1 1 27 27 VAL N N 27 114.562 114.562 115.757 -1.195 25469 140 1 1 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.178 -0.131 25469 141 1 1 . 1 1 27 27 VAL C C 27 175.200 175.200 175.671 -0.471 25469 142 1 1 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.494 0.537 25469 143 1 1 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.991 2.191 25469 144 1 1 . 1 1 27 27 VAL H H 27 6.790 6.790 7.516 -0.726 25469 145 1 1 . 1 1 28 28 VAL N N 28 121.996 121.996 121.068 0.928 25469 146 1 1 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.207 -0.348 25469 147 1 1 . 1 1 28 28 VAL C C 28 174.352 174.352 174.428 -0.076 25469 148 1 1 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.391 1.801 25469 149 1 1 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.169 -1.228 25469 150 1 1 . 1 1 28 28 VAL H H 28 8.276 8.276 7.654 0.622 25469 151 1 1 . 1 1 29 29 LYS N N 29 124.228 124.228 125.347 -1.119 25469 152 1 1 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.701 -0.099 25469 153 1 1 . 1 1 29 29 LYS C C 29 177.959 177.959 177.183 0.776 25469 154 1 1 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.374 -0.728 25469 155 1 1 . 1 1 29 29 LYS CB C 29 34.395 34.395 36.045 -1.650 25469 156 1 1 . 1 1 29 29 LYS H H 29 8.925 8.925 8.036 0.889 25469 157 1 1 . 1 1 30 30 LYS N N 30 123.350 123.350 121.326 2.024 25469 158 1 1 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.081 -0.427 25469 159 1 1 . 1 1 30 30 LYS C C 30 177.639 177.639 176.738 0.901 25469 160 1 1 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.551 2.849 25469 161 1 1 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.799 0.850 25469 162 1 1 . 1 1 30 30 LYS H H 30 8.993 8.993 8.747 0.246 25469 163 1 1 . 1 1 31 31 SER N N 31 111.465 111.465 113.798 -2.333 25469 164 1 1 . 1 1 31 31 SER HA H 31 4.167 4.167 4.700 -0.533 25469 165 1 1 . 1 1 31 31 SER C C 31 177.617 177.617 174.171 3.446 25469 166 1 1 . 1 1 31 31 SER CA C 31 61.389 61.389 58.721 2.668 25469 167 1 1 . 1 1 31 31 SER CB C 31 61.533 61.533 63.552 -2.019 25469 168 1 1 . 1 1 31 31 SER H H 31 8.669 8.669 8.121 0.548 25469 169 1 1 . 1 1 32 32 ASP N N 32 122.187 122.187 121.717 0.470 25469 170 1 1 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.815 -0.295 25469 171 1 1 . 1 1 32 32 ASP C C 32 178.194 178.194 178.322 -0.128 25469 172 1 1 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.961 1.228 25469 173 1 1 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.512 -0.665 25469 174 1 1 . 1 1 32 32 ASP H H 32 7.141 7.141 8.134 -0.993 25469 175 1 1 . 1 1 33 33 VAL N N 33 120.138 120.138 120.253 -0.115 25469 176 1 1 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.940 -0.479 25469 177 1 1 . 1 1 33 33 VAL C C 33 178.624 178.624 176.625 1.999 25469 178 1 1 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.876 0.498 25469 179 1 1 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.678 -0.393 25469 180 1 1 . 1 1 33 33 VAL H H 33 7.956 7.956 8.151 -0.195 25469 181 1 1 . 1 1 34 34 GLU N N 34 118.717 118.717 116.311 2.406 25469 182 1 1 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.215 -0.461 25469 183 1 1 . 1 1 34 34 GLU C C 34 178.701 178.701 175.933 2.768 25469 184 1 1 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.543 2.962 25469 185 1 1 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.760 0.584 25469 186 1 1 . 1 1 34 34 GLU H H 34 8.637 8.637 8.666 -0.029 25469 187 1 1 . 1 1 35 35 ALA N N 35 121.541 121.541 119.978 1.563 25469 188 1 1 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.668 -0.519 25469 189 1 1 . 1 1 35 35 ALA C C 35 180.483 180.483 177.056 3.427 25469 190 1 1 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.441 3.075 25469 191 1 1 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.697 -2.649 25469 192 1 1 . 1 1 35 35 ALA H H 35 7.823 7.823 7.791 0.032 25469 193 1 1 . 1 1 36 36 ILE N N 36 117.449 117.449 117.882 -0.433 25469 194 1 1 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.070 -0.407 25469 195 1 1 . 1 1 36 36 ILE C C 36 178.665 178.665 176.214 2.451 25469 196 1 1 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.588 2.223 25469 197 1 1 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.611 0.179 25469 198 1 1 . 1 1 36 36 ILE H H 36 7.773 7.773 7.506 0.267 25469 199 1 1 . 1 1 37 37 PHE N N 37 113.524 113.524 117.202 -3.678 25469 200 1 1 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.958 -0.600 25469 201 1 1 . 1 1 37 37 PHE C C 37 179.593 179.593 177.526 2.067 25469 202 1 1 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.361 3.319 25469 203 1 1 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.343 -3.133 25469 204 1 1 . 1 1 37 37 PHE H H 37 8.566 8.566 8.380 0.186 25469 205 1 1 . 1 1 38 38 SER N N 38 122.025 122.025 115.059 6.966 25469 206 1 1 . 1 1 38 38 SER HA H 38 4.821 4.821 4.719 0.102 25469 207 1 1 . 1 1 38 38 SER C C 38 175.439 175.439 175.522 -0.083 25469 208 1 1 . 1 1 38 38 SER CA C 38 61.519 61.519 60.266 1.253 25469 209 1 1 . 1 1 38 38 SER CB C 38 62.765 62.765 63.517 -0.752 25469 210 1 1 . 1 1 38 38 SER H H 38 8.834 8.834 8.550 0.284 25469 211 1 1 . 1 1 39 39 LYS N N 39 119.387 119.387 118.843 0.544 25469 212 1 1 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.087 -0.126 25469 213 1 1 . 1 1 39 39 LYS C C 39 177.064 177.064 176.178 0.886 25469 214 1 1 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.345 0.934 25469 215 1 1 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.442 0.144 25469 216 1 1 . 1 1 39 39 LYS H H 39 7.054 7.054 7.993 -0.939 25469 217 1 1 . 1 1 40 40 TYR N N 40 114.433 114.433 118.642 -4.209 25469 218 1 1 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.594 -0.317 25469 219 1 1 . 1 1 40 40 TYR C C 40 174.842 174.842 174.973 -0.131 25469 220 1 1 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.944 0.906 25469 221 1 1 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.017 -1.590 25469 222 1 1 . 1 1 40 40 TYR H H 40 6.956 6.956 7.392 -0.436 25469 223 1 1 . 1 1 41 41 GLY N N 41 106.514 106.514 103.847 2.667 25469 224 1 1 . 1 1 41 41 GLY C C 41 170.573 170.573 171.803 -1.230 25469 225 1 1 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.781 -0.225 25469 226 1 1 . 1 1 41 41 GLY H H 41 7.428 7.428 7.393 0.035 25469 227 1 1 . 1 1 42 42 LYS N N 42 117.788 117.788 121.749 -3.961 25469 228 1 1 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.356 -0.159 25469 229 1 1 . 1 1 42 42 LYS C C 42 176.536 176.536 176.042 0.494 25469 230 1 1 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.688 0.448 25469 231 1 1 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.738 0.229 25469 232 1 1 . 1 1 42 42 LYS H H 42 8.034 8.034 8.469 -0.435 25469 233 1 1 . 1 1 43 43 ILE N N 43 127.104 127.104 127.274 -0.170 25469 234 1 1 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.471 -0.447 25469 235 1 1 . 1 1 43 43 ILE C C 43 176.993 176.993 176.486 0.507 25469 236 1 1 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.795 -0.415 25469 237 1 1 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.707 0.206 25469 238 1 1 . 1 1 43 43 ILE H H 43 8.711 8.711 8.643 0.068 25469 239 1 1 . 1 1 44 44 VAL N N 44 121.993 121.993 120.673 1.320 25469 240 1 1 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.488 -0.124 25469 241 1 1 . 1 1 44 44 VAL C C 44 176.853 176.853 175.064 1.789 25469 242 1 1 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.070 0.788 25469 243 1 1 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.090 -0.538 25469 244 1 1 . 1 1 44 44 VAL H H 44 8.711 8.711 8.836 -0.125 25469 245 1 1 . 1 1 45 45 GLY N N 45 109.507 109.507 107.387 2.120 25469 246 1 1 . 1 1 45 45 GLY C C 45 171.266 171.266 171.740 -0.474 25469 247 1 1 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.662 -0.653 25469 248 1 1 . 1 1 45 45 GLY H H 45 7.530 7.530 7.421 0.109 25469 249 1 1 . 1 1 46 46 CYS N N 46 124.546 124.546 120.725 3.821 25469 250 1 1 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.487 -0.456 25469 251 1 1 . 1 1 46 46 CYS C C 46 172.073 172.073 172.557 -0.484 25469 252 1 1 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.297 0.666 25469 253 1 1 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.139 -2.797 25469 254 1 1 . 1 1 46 46 CYS H H 46 8.982 8.982 9.141 -0.159 25469 255 1 1 . 1 1 47 47 SER N N 47 122.933 122.933 120.032 2.901 25469 256 1 1 . 1 1 47 47 SER HA H 47 4.908 4.908 4.815 0.093 25469 257 1 1 . 1 1 47 47 SER C C 47 171.849 171.849 171.966 -0.117 25469 258 1 1 . 1 1 47 47 SER CA C 47 56.585 56.585 57.410 -0.826 25469 259 1 1 . 1 1 47 47 SER CB C 47 65.733 65.733 66.141 -0.408 25469 260 1 1 . 1 1 47 47 SER H H 47 8.569 8.569 9.069 -0.500 25469 261 1 1 . 1 1 48 48 VAL N N 48 121.588 121.588 122.617 -1.029 25469 262 1 1 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.269 -0.131 25469 263 1 1 . 1 1 48 48 VAL C C 48 173.991 173.991 174.523 -0.532 25469 264 1 1 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.824 1.486 25469 265 1 1 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.602 -0.678 25469 266 1 1 . 1 1 48 48 VAL H H 48 8.565 8.565 8.523 0.042 25469 267 1 1 . 1 1 49 49 HIS N N 49 130.308 130.308 124.405 5.903 25469 268 1 1 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.684 -0.252 25469 269 1 1 . 1 1 49 49 HIS C C 49 173.950 173.950 173.929 0.021 25469 270 1 1 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.113 0.538 25469 271 1 1 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.430 -0.877 25469 272 1 1 . 1 1 49 49 HIS H H 49 8.441 8.441 8.697 -0.256 25469 273 1 1 . 1 1 50 50 LYS N N 50 121.937 121.937 120.144 1.793 25469 274 1 1 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.064 0.396 25469 275 1 1 . 1 1 50 50 LYS C C 50 175.528 175.528 177.355 -1.827 25469 276 1 1 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.008 0.281 25469 277 1 1 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.443 -0.965 25469 278 1 1 . 1 1 50 50 LYS H H 50 7.926 7.926 8.199 -0.273 25469 279 1 1 . 1 1 51 51 GLY N N 51 114.868 114.868 111.857 3.011 25469 280 1 1 . 1 1 51 51 GLY C C 51 174.253 174.253 173.028 1.225 25469 281 1 1 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.156 -0.636 25469 282 1 1 . 1 1 51 51 GLY H H 51 8.644 8.644 8.445 0.199 25469 283 1 1 . 1 1 52 52 PHE N N 52 112.790 112.790 115.267 -2.477 25469 284 1 1 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.664 -0.416 25469 285 1 1 . 1 1 52 52 PHE C C 52 171.606 171.606 172.918 -1.312 25469 286 1 1 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.244 0.986 25469 287 1 1 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.543 -0.498 25469 288 1 1 . 1 1 52 52 PHE H H 52 7.005 7.005 7.194 -0.189 25469 289 1 1 . 1 1 53 53 ALA N N 53 119.858 119.858 119.371 0.487 25469 290 1 1 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.898 -0.063 25469 291 1 1 . 1 1 53 53 ALA C C 53 173.030 173.030 174.582 -1.552 25469 292 1 1 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.065 -0.719 25469 293 1 1 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.495 2.238 25469 294 1 1 . 1 1 53 53 ALA H H 53 8.724 8.724 8.494 0.230 25469 295 1 1 . 1 1 54 54 PHE N N 54 112.158 112.158 116.291 -4.133 25469 296 1 1 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.711 -0.131 25469 297 1 1 . 1 1 54 54 PHE C C 54 175.765 175.765 174.295 1.470 25469 298 1 1 . 1 1 54 54 PHE CA C 54 56.604 56.604 56.920 -0.316 25469 299 1 1 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.419 -0.125 25469 300 1 1 . 1 1 54 54 PHE H H 54 8.764 8.764 9.127 -0.363 25469 301 1 1 . 1 1 55 55 VAL N N 55 118.628 118.628 121.193 -2.565 25469 302 1 1 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.488 -0.276 25469 303 1 1 . 1 1 55 55 VAL C C 55 172.807 172.807 173.732 -0.925 25469 304 1 1 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.094 0.783 25469 305 1 1 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.703 -0.750 25469 306 1 1 . 1 1 55 55 VAL H H 55 8.310 8.310 8.858 -0.548 25469 307 1 1 . 1 1 56 56 GLN N N 56 128.402 128.402 124.668 3.734 25469 308 1 1 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.765 -0.200 25469 309 1 1 . 1 1 56 56 GLN C C 56 173.894 173.894 174.220 -0.326 25469 310 1 1 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.889 0.324 25469 311 1 1 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.712 0.394 25469 312 1 1 . 1 1 56 56 GLN H H 56 9.253 9.253 8.910 0.343 25469 313 1 1 . 1 1 57 57 TYR N N 57 127.617 127.617 124.316 3.301 25469 314 1 1 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.364 -0.083 25469 315 1 1 . 1 1 57 57 TYR C C 57 175.610 175.610 177.052 -1.442 25469 316 1 1 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.453 2.238 25469 317 1 1 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.026 -0.957 25469 318 1 1 . 1 1 57 57 TYR H H 57 8.919 8.919 9.021 -0.102 25469 319 1 1 . 1 1 58 58 VAL N N 58 116.705 116.705 118.985 -2.280 25469 320 1 1 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.872 0.241 25469 321 1 1 . 1 1 58 58 VAL C C 58 175.860 175.860 175.708 0.152 25469 322 1 1 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.437 -0.408 25469 323 1 1 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.129 0.920 25469 324 1 1 . 1 1 58 58 VAL H H 58 9.458 9.458 8.794 0.664 25469 325 1 1 . 1 1 59 59 ASN N N 59 112.563 112.563 113.308 -0.745 25469 326 1 1 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.835 0.315 25469 327 1 1 . 1 1 59 59 ASN C C 59 174.483 174.483 174.475 0.008 25469 328 1 1 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.297 -0.345 25469 329 1 1 . 1 1 59 59 ASN CB C 59 42.177 42.177 39.964 2.213 25469 330 1 1 . 1 1 59 59 ASN H H 59 7.230 7.230 7.394 -0.164 25469 331 1 1 . 1 1 60 60 GLU N N 60 124.320 124.320 119.600 4.720 25469 332 1 1 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.192 0.122 25469 333 1 1 . 1 1 60 60 GLU C C 60 178.202 178.202 177.941 0.261 25469 334 1 1 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.569 -0.788 25469 335 1 1 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.747 0.631 25469 336 1 1 . 1 1 60 60 GLU H H 60 8.807 8.807 8.910 -0.103 25469 337 1 1 . 1 1 61 61 ARG N N 61 118.347 118.347 118.946 -0.599 25469 338 1 1 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.035 -0.045 25469 339 1 1 . 1 1 61 61 ARG C C 61 179.341 179.341 178.514 0.827 25469 340 1 1 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.550 0.916 25469 341 1 1 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.758 -0.357 25469 342 1 1 . 1 1 61 61 ARG H H 61 8.620 8.620 8.324 0.296 25469 343 1 1 . 1 1 62 62 ASN N N 62 118.085 118.085 117.222 0.863 25469 344 1 1 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.311 -0.034 25469 345 1 1 . 1 1 62 62 ASN C C 62 174.852 174.852 176.475 -1.623 25469 346 1 1 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.252 0.213 25469 347 1 1 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.148 0.859 25469 348 1 1 . 1 1 62 62 ASN H H 62 7.781 7.781 7.938 -0.157 25469 349 1 1 . 1 1 63 63 ALA N N 63 119.580 119.580 122.950 -3.370 25469 350 1 1 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.440 -0.692 25469 351 1 1 . 1 1 63 63 ALA C C 63 178.862 178.862 179.356 -0.494 25469 352 1 1 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.737 0.224 25469 353 1 1 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.726 -0.185 25469 354 1 1 . 1 1 63 63 ALA H H 63 6.775 6.775 7.336 -0.561 25469 355 1 1 . 1 1 64 64 ARG N N 64 114.991 114.991 118.409 -3.418 25469 356 1 1 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.159 -0.319 25469 357 1 1 . 1 1 64 64 ARG C C 64 179.776 179.776 178.613 1.163 25469 358 1 1 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.946 2.236 25469 359 1 1 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.670 -0.423 25469 360 1 1 . 1 1 64 64 ARG H H 64 8.737 8.737 8.260 0.477 25469 361 1 1 . 1 1 65 65 ALA N N 65 123.698 123.698 121.390 2.308 25469 362 1 1 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.279 -0.152 25469 363 1 1 . 1 1 65 65 ALA C C 65 179.561 179.561 178.540 1.021 25469 364 1 1 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.530 0.418 25469 365 1 1 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.336 -0.445 25469 366 1 1 . 1 1 65 65 ALA H H 65 7.820 7.820 7.555 0.265 25469 367 1 1 . 1 1 66 66 ALA N N 66 123.811 123.811 120.133 3.678 25469 368 1 1 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.735 -1.668 25469 369 1 1 . 1 1 66 66 ALA C C 66 179.260 179.260 179.417 -0.157 25469 370 1 1 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.472 -0.163 25469 371 1 1 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.102 0.207 25469 372 1 1 . 1 1 66 66 ALA H H 66 7.538 7.538 7.409 0.129 25469 373 1 1 . 1 1 67 67 VAL N N 67 116.571 116.571 118.380 -1.809 25469 374 1 1 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.701 -0.346 25469 375 1 1 . 1 1 67 67 VAL C C 67 177.744 177.744 177.498 0.246 25469 376 1 1 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.779 -0.249 25469 377 1 1 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.684 0.283 25469 378 1 1 . 1 1 67 67 VAL H H 67 7.612 7.612 8.289 -0.677 25469 379 1 1 . 1 1 68 68 ALA N N 68 118.239 118.239 120.152 -1.913 25469 380 1 1 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.323 -0.202 25469 381 1 1 . 1 1 68 68 ALA C C 68 180.749 180.749 178.132 2.617 25469 382 1 1 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.431 0.921 25469 383 1 1 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.706 -0.609 25469 384 1 1 . 1 1 68 68 ALA H H 68 7.549 7.549 7.541 0.008 25469 385 1 1 . 1 1 69 69 GLY N N 69 103.748 103.748 105.310 -1.562 25469 386 1 1 . 1 1 69 69 GLY C C 69 175.627 175.627 174.953 0.674 25469 387 1 1 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.042 1.044 25469 388 1 1 . 1 1 69 69 GLY H H 69 8.135 8.135 7.309 0.826 25469 389 1 1 . 1 1 70 70 GLU N N 70 114.571 114.571 116.343 -1.772 25469 390 1 1 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.381 0.251 25469 391 1 1 . 1 1 70 70 GLU C C 70 176.392 176.392 175.071 1.321 25469 392 1 1 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.904 -0.706 25469 393 1 1 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.908 -0.536 25469 394 1 1 . 1 1 70 70 GLU H H 70 7.653 7.653 7.608 0.045 25469 395 1 1 . 1 1 71 71 ASP N N 71 118.127 118.127 121.110 -2.983 25469 396 1 1 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.370 -0.085 25469 397 1 1 . 1 1 71 71 ASP C C 71 178.699 178.699 177.067 1.632 25469 398 1 1 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.027 1.515 25469 399 1 1 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.206 1.164 25469 400 1 1 . 1 1 71 71 ASP H H 71 8.026 8.026 7.586 0.440 25469 401 1 1 . 1 1 72 72 GLY N N 72 114.353 114.353 114.824 -0.471 25469 402 1 1 . 1 1 72 72 GLY C C 72 173.792 173.792 174.305 -0.513 25469 403 1 1 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.254 0.505 25469 404 1 1 . 1 1 72 72 GLY H H 72 8.292 8.292 8.491 -0.199 25469 405 1 1 . 1 1 73 73 ARG N N 73 121.996 121.996 118.921 3.075 25469 406 1 1 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.610 -0.424 25469 407 1 1 . 1 1 73 73 ARG C C 73 175.188 175.188 175.464 -0.276 25469 408 1 1 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.823 1.653 25469 409 1 1 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.367 -0.048 25469 410 1 1 . 1 1 73 73 ARG H H 73 7.981 7.981 8.075 -0.094 25469 411 1 1 . 1 1 74 74 MET N N 74 125.120 125.120 120.747 4.373 25469 412 1 1 . 1 1 74 74 MET HA H 74 4.795 4.795 4.691 0.104 25469 413 1 1 . 1 1 74 74 MET C C 74 175.727 175.727 174.861 0.866 25469 414 1 1 . 1 1 74 74 MET CA C 74 55.054 55.054 54.679 0.375 25469 415 1 1 . 1 1 74 74 MET CB C 74 33.076 33.076 34.337 -1.261 25469 416 1 1 . 1 1 74 74 MET H H 74 8.710 8.710 8.422 0.288 25469 417 1 1 . 1 1 75 75 ILE N N 75 127.530 127.530 125.860 1.670 25469 418 1 1 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.440 -0.053 25469 419 1 1 . 1 1 75 75 ILE C C 75 175.277 175.277 175.639 -0.362 25469 420 1 1 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.519 -0.788 25469 421 1 1 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.374 -0.967 25469 422 1 1 . 1 1 75 75 ILE H H 75 8.583 8.583 8.867 -0.284 25469 423 1 1 . 1 1 76 76 ALA N N 76 132.166 132.166 130.164 2.002 25469 424 1 1 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.991 0.041 25469 425 1 1 . 1 1 76 76 ALA C C 76 177.206 177.206 177.696 -0.490 25469 426 1 1 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.220 -0.348 25469 427 1 1 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.323 -0.075 25469 428 1 1 . 1 1 76 76 ALA H H 76 9.540 9.540 9.044 0.496 25469 429 1 1 . 1 1 77 77 GLY N N 77 101.685 101.685 102.817 -1.132 25469 430 1 1 . 1 1 77 77 GLY C C 77 174.206 174.206 173.847 0.359 25469 431 1 1 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.851 0.916 25469 432 1 1 . 1 1 77 77 GLY H H 77 8.446 8.446 8.342 0.104 25469 433 1 1 . 1 1 78 78 GLN N N 78 118.947 118.947 119.978 -1.031 25469 434 1 1 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.623 0.108 25469 435 1 1 . 1 1 78 78 GLN C C 78 174.047 174.047 174.766 -0.719 25469 436 1 1 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.408 -0.147 25469 437 1 1 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.802 0.302 25469 438 1 1 . 1 1 78 78 GLN H H 78 7.708 7.708 8.097 -0.389 25469 439 1 1 . 1 1 79 79 VAL N N 79 123.383 123.383 126.653 -3.270 25469 440 1 1 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.490 -0.476 25469 441 1 1 . 1 1 79 79 VAL C C 79 176.348 176.348 176.345 0.003 25469 442 1 1 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.627 -0.959 25469 443 1 1 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.269 -0.140 25469 444 1 1 . 1 1 79 79 VAL H H 79 8.570 8.570 8.497 0.073 25469 445 1 1 . 1 1 80 80 LEU N N 80 128.544 128.544 126.411 2.133 25469 446 1 1 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.663 -0.355 25469 447 1 1 . 1 1 80 80 LEU C C 80 176.522 176.522 176.121 0.401 25469 448 1 1 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.411 2.490 25469 449 1 1 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.991 -1.092 25469 450 1 1 . 1 1 80 80 LEU H H 80 9.002 9.002 8.498 0.504 25469 451 1 1 . 1 1 81 81 ASP N N 81 124.135 124.135 121.947 2.188 25469 452 1 1 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.285 -0.064 25469 453 1 1 . 1 1 81 81 ASP C C 81 174.660 174.660 174.776 -0.116 25469 454 1 1 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.088 -0.101 25469 455 1 1 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.656 0.111 25469 456 1 1 . 1 1 81 81 ASP H H 81 7.718 7.718 8.241 -0.523 25469 457 1 1 . 1 1 82 82 ILE N N 82 123.344 123.344 125.537 -2.193 25469 458 1 1 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.875 0.522 25469 459 1 1 . 1 1 82 82 ILE C C 82 174.521 174.521 174.483 0.038 25469 460 1 1 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.873 -0.739 25469 461 1 1 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.887 0.080 25469 462 1 1 . 1 1 82 82 ILE H H 82 9.071 9.071 8.881 0.190 25469 463 1 1 . 1 1 83 83 ASN N N 83 116.447 116.447 121.763 -5.316 25469 464 1 1 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.029 -0.187 25469 465 1 1 . 1 1 83 83 ASN C C 83 174.566 174.566 173.835 0.731 25469 466 1 1 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.096 1.032 25469 467 1 1 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.410 0.664 25469 468 1 1 . 1 1 83 83 ASN H H 83 8.494 8.494 8.768 -0.274 25469 469 1 1 . 1 1 84 84 LEU N N 84 123.786 123.786 121.998 1.788 25469 470 1 1 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.335 0.385 25469 471 1 1 . 1 1 84 84 LEU C C 84 180.969 180.969 178.271 2.698 25469 472 1 1 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.625 -0.268 25469 473 1 1 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.340 -2.021 25469 474 1 1 . 1 1 84 84 LEU H H 84 9.414 9.414 8.840 0.574 25469 475 1 1 . 1 1 85 85 ALA N N 85 127.577 127.577 127.614 -0.037 25469 476 1 1 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.375 -0.327 25469 477 1 1 . 1 1 85 85 ALA C C 85 177.932 177.932 176.598 1.334 25469 478 1 1 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.101 2.248 25469 479 1 1 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.980 -0.993 25469 480 1 1 . 1 1 85 85 ALA H H 85 9.279 9.279 8.280 0.999 25469 481 1 1 . 1 1 86 86 ALA N N 86 116.071 116.071 117.091 -1.020 25469 482 1 1 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.416 -0.005 25469 483 1 1 . 1 1 86 86 ALA C C 86 176.153 176.153 176.457 -0.304 25469 484 1 1 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.091 -0.362 25469 485 1 1 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.540 -0.230 25469 486 1 1 . 1 1 86 86 ALA H H 86 8.687 8.687 8.135 0.552 25469 487 1 1 . 1 1 87 87 GLU N N 87 118.959 118.959 119.791 -0.832 25469 488 1 1 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.633 0.103 25469 489 1 1 . 1 1 87 87 GLU C C 87 171.677 171.677 173.732 -2.055 25469 490 1 1 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.202 -0.030 25469 491 1 1 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.137 -0.164 25469 492 1 1 . 1 1 87 87 GLU H H 87 7.901 7.901 7.829 0.072 25469 493 1 1 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.467 -0.124 25469 494 1 1 . 1 1 88 88 PRO C C 88 177.303 177.303 177.651 -0.348 25469 495 1 1 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.154 -0.236 25469 496 1 1 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.433 -0.535 25469 497 1 1 . 1 1 89 89 LYS N N 89 121.298 121.298 124.250 -2.952 25469 498 1 1 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.046 0.181 25469 499 1 1 . 1 1 89 89 LYS C C 89 177.690 177.690 176.889 0.801 25469 500 1 1 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.340 -1.538 25469 501 1 1 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.184 1.320 25469 502 1 1 . 1 1 89 89 LYS H H 89 7.973 7.973 8.547 -0.574 25469 503 1 1 . 1 1 90 90 VAL N N 90 120.788 120.788 115.186 5.602 25469 504 1 1 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.101 -0.172 25469 505 1 1 . 1 1 90 90 VAL C C 90 176.170 176.170 175.062 1.108 25469 506 1 1 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.971 0.246 25469 507 1 1 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.067 -0.721 25469 508 1 1 . 1 1 90 90 VAL H H 90 8.216 8.216 8.114 0.102 25469 509 1 1 . 1 1 91 91 ASN N N 91 119.438 119.438 117.882 1.556 25469 510 1 1 . 1 1 91 91 ASN HA H 91 4.659 4.659 5.101 -0.442 25469 511 1 1 . 1 1 91 91 ASN C C 91 175.173 175.173 174.120 1.053 25469 512 1 1 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.661 0.376 25469 513 1 1 . 1 1 91 91 ASN CB C 91 38.167 38.167 41.760 -3.593 25469 514 1 1 . 1 1 91 91 ASN H H 91 8.451 8.451 7.955 0.496 25469 515 1 1 . 1 1 92 92 ARG N N 92 120.958 120.958 119.522 1.436 25469 516 1 1 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.482 -0.245 25469 517 1 1 . 1 1 92 92 ARG C C 92 177.002 177.002 176.095 0.907 25469 518 1 1 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.339 0.305 25469 519 1 1 . 1 1 92 92 ARG CB C 92 30.526 30.526 31.928 -1.403 25469 520 1 1 . 1 1 92 92 ARG H H 92 7.978 7.978 8.445 -0.467 25469 521 1 1 . 1 1 93 93 GLY N N 93 110.275 110.275 109.323 0.952 25469 522 1 1 . 1 1 93 93 GLY C C 93 174.246 174.246 174.884 -0.638 25469 523 1 1 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.187 0.197 25469 524 1 1 . 1 1 93 93 GLY H H 93 8.604 8.604 8.123 0.481 25469 525 1 1 . 1 1 94 94 LYS N N 94 120.750 120.750 119.935 0.815 25469 526 1 1 . 1 1 94 94 LYS HA H 94 4.297 4.297 3.901 0.396 25469 527 1 1 . 1 1 94 94 LYS C C 94 176.525 176.525 175.276 1.249 25469 528 1 1 . 1 1 94 94 LYS CA C 94 56.044 56.044 57.590 -1.546 25469 529 1 1 . 1 1 94 94 LYS CB C 94 33.025 33.025 32.371 0.654 25469 530 1 1 . 1 1 94 94 LYS H H 94 8.113 8.113 8.772 -0.659 25469 531 1 1 . 1 1 95 95 ALA N N 95 124.912 124.912 118.961 5.951 25469 532 1 1 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.465 -0.166 25469 533 1 1 . 1 1 95 95 ALA C C 95 178.325 178.325 175.715 2.610 25469 534 1 1 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.904 0.848 25469 535 1 1 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.004 -1.864 25469 536 1 1 . 1 1 95 95 ALA H H 95 8.367 8.367 6.988 1.379 25469 537 1 1 . 1 1 96 96 GLY N N 96 108.328 108.328 106.815 1.513 25469 538 1 1 . 1 1 96 96 GLY C C 96 174.096 174.096 172.474 1.622 25469 539 1 1 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.568 -0.327 25469 540 1 1 . 1 1 96 96 GLY H H 96 8.390 8.390 8.323 0.067 25469 541 1 1 . 1 1 97 97 VAL N N 97 119.774 119.774 118.394 1.380 25469 542 1 1 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.503 -0.426 25469 543 1 1 . 1 1 97 97 VAL C C 97 176.156 176.156 174.831 1.325 25469 544 1 1 . 1 1 97 97 VAL CA C 97 62.299 62.299 60.725 1.574 25469 545 1 1 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.656 -0.802 25469 546 1 1 . 1 1 97 97 VAL H H 97 7.925 7.925 7.648 0.277 25469 547 1 1 . 1 1 98 98 LYS N N 98 126.024 126.024 127.147 -1.123 25469 548 1 1 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.571 -0.245 25469 549 1 1 . 1 1 98 98 LYS C C 98 176.427 176.427 175.913 0.514 25469 550 1 1 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.056 0.045 25469 551 1 1 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.138 -0.076 25469 552 1 1 . 1 1 98 98 LYS H H 98 8.473 8.473 8.509 -0.036 25469 553 1 1 . 1 1 99 99 ARG N N 99 123.644 123.644 120.205 3.439 25469 554 1 1 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.430 -0.051 25469 555 1 1 . 1 1 99 99 ARG C C 99 176.231 176.231 177.134 -0.903 25469 556 1 1 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.429 0.503 25469 557 1 1 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.137 0.130 25469 558 1 1 . 1 1 99 99 ARG H H 99 8.464 8.464 7.602 0.862 25469 559 1 1 . 1 1 100 100 SER N N 100 117.863 117.863 117.803 0.060 25469 560 1 1 . 1 1 100 100 SER HA H 100 4.449 4.449 4.354 0.095 25469 561 1 1 . 1 1 100 100 SER C C 100 174.556 174.556 175.034 -0.478 25469 562 1 1 . 1 1 100 100 SER CA C 100 57.985 57.985 59.751 -1.766 25469 563 1 1 . 1 1 100 100 SER CB C 100 64.167 64.167 63.287 0.880 25469 564 1 1 . 1 1 100 100 SER H H 100 8.516 8.516 8.542 -0.026 25469 565 1 1 . 1 1 101 101 ALA N N 101 126.048 126.048 122.196 3.852 25469 566 1 1 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.070 0.187 25469 567 1 1 . 1 1 101 101 ALA C C 101 178.047 178.047 177.545 0.502 25469 568 1 1 . 1 1 101 101 ALA CA C 101 53.348 53.348 54.247 -0.899 25469 569 1 1 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.272 1.673 25469 570 1 1 . 1 1 101 101 ALA H H 101 8.538 8.538 8.188 0.350 25469 571 1 1 . 1 1 102 102 ALA N N 102 121.566 121.566 118.692 2.874 25469 572 1 1 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.586 -0.361 25469 573 1 1 . 1 1 102 102 ALA C C 102 178.254 178.254 178.291 -0.037 25469 574 1 1 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.227 0.818 25469 575 1 1 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.699 -0.656 25469 576 1 1 . 1 1 102 102 ALA H H 102 8.212 8.212 7.959 0.253 25469 577 1 1 . 1 1 103 103 GLU N N 103 118.735 118.735 118.368 0.367 25469 578 1 1 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.175 0.026 25469 579 1 1 . 1 1 103 103 GLU C C 103 176.516 176.516 176.998 -0.482 25469 580 1 1 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.708 -2.052 25469 581 1 1 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.167 1.060 25469 582 1 1 . 1 1 103 103 GLU H H 103 8.071 8.071 8.696 -0.625 25469 583 1 1 . 1 1 104 104 MET N N 104 120.106 120.106 117.387 2.719 25469 584 1 1 . 1 1 104 104 MET HA H 104 4.326 4.326 4.528 -0.202 25469 585 1 1 . 1 1 104 104 MET C C 104 175.862 175.862 175.260 0.602 25469 586 1 1 . 1 1 104 104 MET CA C 104 55.939 55.939 55.740 0.199 25469 587 1 1 . 1 1 104 104 MET CB C 104 32.999 32.999 32.543 0.456 25469 588 1 1 . 1 1 104 104 MET H H 104 8.073 8.073 7.835 0.238 25469 589 1 1 . 1 1 105 105 TYR N N 105 120.285 120.285 116.958 3.327 25469 590 1 1 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.681 -0.028 25469 591 1 1 . 1 1 105 105 TYR C C 105 175.319 175.319 175.908 -0.589 25469 592 1 1 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.820 -0.225 25469 593 1 1 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.835 -0.896 25469 594 1 1 . 1 1 105 105 TYR H H 105 8.126 8.126 7.745 0.381 25469 595 1 2 . 1 1 3 3 SER HA H 3 4.553 4.553 4.503 0.050 25469 596 1 2 . 1 1 3 3 SER C C 3 173.408 173.408 175.430 -2.022 25469 597 1 2 . 1 1 3 3 SER CA C 3 58.273 58.273 56.879 1.394 25469 598 1 2 . 1 1 3 3 SER CB C 3 63.940 63.940 64.077 -0.137 25469 599 1 2 . 1 1 4 4 ASN N N 4 120.235 120.235 119.592 0.643 25469 600 1 2 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.994 0.223 25469 601 1 2 . 1 1 4 4 ASN C C 4 176.243 176.243 174.834 1.409 25469 602 1 2 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.123 -0.079 25469 603 1 2 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.680 0.052 25469 604 1 2 . 1 1 4 4 ASN H H 4 8.774 8.774 8.613 0.161 25469 605 1 2 . 1 1 5 5 VAL N N 5 122.554 122.554 121.905 0.649 25469 606 1 2 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.202 -0.433 25469 607 1 2 . 1 1 5 5 VAL C C 5 177.223 177.223 175.431 1.792 25469 608 1 2 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.436 3.375 25469 609 1 2 . 1 1 5 5 VAL CB C 5 30.874 30.874 33.193 -2.319 25469 610 1 2 . 1 1 5 5 VAL H H 5 8.315 8.315 7.375 0.940 25469 611 1 2 . 1 1 6 6 THR N N 6 118.503 118.503 116.090 2.413 25469 612 1 2 . 1 1 6 6 THR HA H 6 4.678 4.678 4.478 0.200 25469 613 1 2 . 1 1 6 6 THR C C 6 174.350 174.350 173.610 0.740 25469 614 1 2 . 1 1 6 6 THR CA C 6 60.560 60.560 61.460 -0.900 25469 615 1 2 . 1 1 6 6 THR CB C 6 69.833 69.833 69.824 0.009 25469 616 1 2 . 1 1 6 6 THR H H 6 9.394 9.394 8.396 0.998 25469 617 1 2 . 1 1 7 7 ASN N N 7 120.872 120.872 119.374 1.498 25469 618 1 2 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.591 -0.035 25469 619 1 2 . 1 1 7 7 ASN C C 7 176.866 176.866 174.935 1.931 25469 620 1 2 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.692 -0.795 25469 621 1 2 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.244 -0.162 25469 622 1 2 . 1 1 7 7 ASN H H 7 7.976 7.976 8.054 -0.078 25469 623 1 2 . 1 1 8 8 LYS N N 8 121.728 121.728 120.005 1.723 25469 624 1 2 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.356 -0.100 25469 625 1 2 . 1 1 8 8 LYS C C 8 180.142 180.142 176.575 3.567 25469 626 1 2 . 1 1 8 8 LYS CA C 8 58.200 58.200 56.593 1.607 25469 627 1 2 . 1 1 8 8 LYS CB C 8 32.292 32.292 32.844 -0.552 25469 628 1 2 . 1 1 8 8 LYS H H 8 8.572 8.572 8.073 0.499 25469 629 1 2 . 1 1 9 9 THR N N 9 110.858 110.858 114.261 -3.403 25469 630 1 2 . 1 1 9 9 THR HA H 9 4.463 4.463 4.382 0.081 25469 631 1 2 . 1 1 9 9 THR C C 9 174.485 174.485 173.930 0.555 25469 632 1 2 . 1 1 9 9 THR CA C 9 61.246 61.246 60.681 0.565 25469 633 1 2 . 1 1 9 9 THR CB C 9 69.039 69.039 69.416 -0.377 25469 634 1 2 . 1 1 9 9 THR H H 9 8.691 8.691 8.536 0.155 25469 635 1 2 . 1 1 10 10 ASP N N 10 121.014 121.014 124.034 -3.020 25469 636 1 2 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.723 0.102 25469 637 1 2 . 1 1 10 10 ASP C C 10 173.946 173.946 176.712 -2.766 25469 638 1 2 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.444 -0.880 25469 639 1 2 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.374 -1.773 25469 640 1 2 . 1 1 10 10 ASP H H 10 7.907 7.907 7.912 -0.005 25469 641 1 2 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.373 -0.218 25469 642 1 2 . 1 1 11 11 PRO C C 11 178.421 178.421 176.536 1.885 25469 643 1 2 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.635 1.605 25469 644 1 2 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.108 0.090 25469 645 1 2 . 1 1 12 12 ARG N N 12 116.361 116.361 116.459 -0.098 25469 646 1 2 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.531 -0.439 25469 647 1 2 . 1 1 12 12 ARG C C 12 180.446 180.446 176.947 3.499 25469 648 1 2 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.528 2.007 25469 649 1 2 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.163 -1.913 25469 650 1 2 . 1 1 12 12 ARG H H 12 7.940 7.940 8.082 -0.142 25469 651 1 2 . 1 1 13 13 SER N N 13 119.379 119.379 116.304 3.075 25469 652 1 2 . 1 1 13 13 SER HA H 13 4.052 4.052 4.492 -0.440 25469 653 1 2 . 1 1 13 13 SER C C 13 178.762 178.762 175.745 3.017 25469 654 1 2 . 1 1 13 13 SER CA C 13 61.529 61.529 61.646 -0.117 25469 655 1 2 . 1 1 13 13 SER CB C 13 61.778 61.778 63.346 -1.568 25469 656 1 2 . 1 1 13 13 SER H H 13 8.143 8.143 8.168 -0.025 25469 657 1 2 . 1 1 14 14 MET N N 14 120.327 120.327 114.093 6.234 25469 658 1 2 . 1 1 14 14 MET HA H 14 4.097 4.097 4.467 -0.370 25469 659 1 2 . 1 1 14 14 MET C C 14 178.576 178.576 175.549 3.027 25469 660 1 2 . 1 1 14 14 MET CA C 14 58.293 58.293 57.095 1.198 25469 661 1 2 . 1 1 14 14 MET CB C 14 31.813 31.813 32.841 -1.028 25469 662 1 2 . 1 1 14 14 MET H H 14 8.238 8.238 7.696 0.542 25469 663 1 2 . 1 1 15 15 ASN N N 15 115.378 115.378 117.359 -1.981 25469 664 1 2 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.864 -0.239 25469 665 1 2 . 1 1 15 15 ASN C C 15 172.556 172.556 176.548 -3.992 25469 666 1 2 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.364 -0.335 25469 667 1 2 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.003 -2.353 25469 668 1 2 . 1 1 15 15 ASN H H 15 7.968 7.968 7.630 0.338 25469 669 1 2 . 1 1 16 16 SER N N 16 106.215 106.215 115.094 -8.879 25469 670 1 2 . 1 1 16 16 SER HA H 16 4.495 4.495 4.541 -0.046 25469 671 1 2 . 1 1 16 16 SER C C 16 172.121 172.121 173.852 -1.731 25469 672 1 2 . 1 1 16 16 SER CA C 16 56.785 56.785 59.060 -2.275 25469 673 1 2 . 1 1 16 16 SER CB C 16 63.428 63.428 63.640 -0.212 25469 674 1 2 . 1 1 16 16 SER H H 16 7.253 7.253 7.851 -0.598 25469 675 1 2 . 1 1 17 17 ARG N N 17 123.348 123.348 122.551 0.797 25469 676 1 2 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.307 0.285 25469 677 1 2 . 1 1 17 17 ARG C C 17 174.491 174.491 174.782 -0.291 25469 678 1 2 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.439 -1.060 25469 679 1 2 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.132 -0.223 25469 680 1 2 . 1 1 17 17 ARG H H 17 7.405 7.405 7.569 -0.164 25469 681 1 2 . 1 1 18 18 VAL N N 18 122.328 122.328 123.185 -0.857 25469 682 1 2 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.665 0.044 25469 683 1 2 . 1 1 18 18 VAL C C 18 174.863 174.863 174.216 0.647 25469 684 1 2 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.089 -0.432 25469 685 1 2 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.523 -0.221 25469 686 1 2 . 1 1 18 18 VAL H H 18 9.260 9.260 9.050 0.210 25469 687 1 2 . 1 1 19 19 PHE N N 19 126.010 126.010 129.189 -3.179 25469 688 1 2 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.243 0.223 25469 689 1 2 . 1 1 19 19 PHE C C 19 171.967 171.967 173.592 -1.625 25469 690 1 2 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.281 1.828 25469 691 1 2 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.038 -0.015 25469 692 1 2 . 1 1 19 19 PHE H H 19 9.159 9.159 9.229 -0.070 25469 693 1 2 . 1 1 20 20 ILE N N 20 126.422 126.422 127.694 -1.272 25469 694 1 2 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.105 -0.244 25469 695 1 2 . 1 1 20 20 ILE C C 20 173.050 173.050 174.415 -1.365 25469 696 1 2 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.975 -0.627 25469 697 1 2 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.134 1.066 25469 698 1 2 . 1 1 20 20 ILE H H 20 7.716 7.716 8.379 -0.663 25469 699 1 2 . 1 1 21 21 GLY N N 21 113.182 113.182 111.646 1.536 25469 700 1 2 . 1 1 21 21 GLY C C 21 173.769 173.769 173.826 -0.057 25469 701 1 2 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.144 0.716 25469 702 1 2 . 1 1 21 21 GLY H H 21 8.550 8.550 7.978 0.572 25469 703 1 2 . 1 1 22 22 ASN N N 22 116.072 116.072 115.481 0.591 25469 704 1 2 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.344 0.003 25469 705 1 2 . 1 1 22 22 ASN C C 22 174.205 174.205 173.902 0.303 25469 706 1 2 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.722 -0.289 25469 707 1 2 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.748 1.078 25469 708 1 2 . 1 1 22 22 ASN H H 22 7.291 7.291 8.616 -1.325 25469 709 1 2 . 1 1 23 23 LEU N N 23 118.873 118.873 118.818 0.055 25469 710 1 2 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.677 -0.749 25469 711 1 2 . 1 1 23 23 LEU C C 23 176.551 176.551 176.224 0.327 25469 712 1 2 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.406 -0.741 25469 713 1 2 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.324 0.025 25469 714 1 2 . 1 1 23 23 LEU H H 23 7.279 7.279 7.995 -0.716 25469 715 1 2 . 1 1 24 24 ASN N N 24 124.260 124.260 123.214 1.046 25469 716 1 2 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.485 0.274 25469 717 1 2 . 1 1 24 24 ASN C C 24 175.831 175.831 175.807 0.024 25469 718 1 2 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.483 -3.843 25469 719 1 2 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.697 -3.142 25469 720 1 2 . 1 1 24 24 ASN H H 24 9.075 9.075 8.837 0.238 25469 721 1 2 . 1 1 25 25 THR N N 25 118.101 118.101 106.798 11.303 25469 722 1 2 . 1 1 25 25 THR HA H 25 4.377 4.377 4.076 0.301 25469 723 1 2 . 1 1 25 25 THR C C 25 175.286 175.286 174.543 0.743 25469 724 1 2 . 1 1 25 25 THR CA C 25 63.324 63.324 63.718 -0.394 25469 725 1 2 . 1 1 25 25 THR CB C 25 67.439 67.439 67.385 0.054 25469 726 1 2 . 1 1 25 25 THR H H 25 8.226 8.226 8.083 0.143 25469 727 1 2 . 1 1 26 26 LEU N N 26 121.285 121.285 119.222 2.063 25469 728 1 2 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.244 0.067 25469 729 1 2 . 1 1 26 26 LEU C C 26 178.244 178.244 177.994 0.250 25469 730 1 2 . 1 1 26 26 LEU CA C 26 57.314 57.314 57.094 0.220 25469 731 1 2 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.007 -0.679 25469 732 1 2 . 1 1 26 26 LEU H H 26 7.670 7.670 7.800 -0.130 25469 733 1 2 . 1 1 27 27 VAL N N 27 114.562 114.562 115.686 -1.124 25469 734 1 2 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.081 -0.034 25469 735 1 2 . 1 1 27 27 VAL C C 27 175.200 175.200 175.896 -0.696 25469 736 1 2 . 1 1 27 27 VAL CA C 27 63.031 63.031 63.063 -0.032 25469 737 1 2 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.743 2.439 25469 738 1 2 . 1 1 27 27 VAL H H 27 6.790 6.790 7.641 -0.851 25469 739 1 2 . 1 1 28 28 VAL N N 28 121.996 121.996 120.469 1.527 25469 740 1 2 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.151 -0.292 25469 741 1 2 . 1 1 28 28 VAL C C 28 174.352 174.352 174.547 -0.195 25469 742 1 2 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.406 1.786 25469 743 1 2 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.812 -0.871 25469 744 1 2 . 1 1 28 28 VAL H H 28 8.276 8.276 7.562 0.714 25469 745 1 2 . 1 1 29 29 LYS N N 29 124.228 124.228 124.295 -0.067 25469 746 1 2 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.670 -0.068 25469 747 1 2 . 1 1 29 29 LYS C C 29 177.959 177.959 176.972 0.987 25469 748 1 2 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.747 -1.101 25469 749 1 2 . 1 1 29 29 LYS CB C 29 34.395 34.395 36.120 -1.725 25469 750 1 2 . 1 1 29 29 LYS H H 29 8.925 8.925 7.942 0.983 25469 751 1 2 . 1 1 30 30 LYS N N 30 123.350 123.350 121.282 2.068 25469 752 1 2 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.034 -0.380 25469 753 1 2 . 1 1 30 30 LYS C C 30 177.639 177.639 176.417 1.222 25469 754 1 2 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.919 2.481 25469 755 1 2 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.677 0.972 25469 756 1 2 . 1 1 30 30 LYS H H 30 8.993 8.993 8.771 0.222 25469 757 1 2 . 1 1 31 31 SER N N 31 111.465 111.465 114.005 -2.540 25469 758 1 2 . 1 1 31 31 SER HA H 31 4.167 4.167 4.790 -0.623 25469 759 1 2 . 1 1 31 31 SER C C 31 177.617 177.617 174.176 3.441 25469 760 1 2 . 1 1 31 31 SER CA C 31 61.389 61.389 59.539 1.850 25469 761 1 2 . 1 1 31 31 SER CB C 31 61.533 61.533 63.389 -1.856 25469 762 1 2 . 1 1 31 31 SER H H 31 8.669 8.669 8.161 0.508 25469 763 1 2 . 1 1 32 32 ASP N N 32 122.187 122.187 121.502 0.685 25469 764 1 2 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.786 -0.266 25469 765 1 2 . 1 1 32 32 ASP C C 32 178.194 178.194 178.650 -0.456 25469 766 1 2 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.672 1.516 25469 767 1 2 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.950 -1.103 25469 768 1 2 . 1 1 32 32 ASP H H 32 7.141 7.141 8.191 -1.050 25469 769 1 2 . 1 1 33 33 VAL N N 33 120.138 120.138 119.967 0.171 25469 770 1 2 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.953 -0.492 25469 771 1 2 . 1 1 33 33 VAL C C 33 178.624 178.624 176.799 1.825 25469 772 1 2 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.619 0.755 25469 773 1 2 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.193 0.092 25469 774 1 2 . 1 1 33 33 VAL H H 33 7.956 7.956 8.145 -0.189 25469 775 1 2 . 1 1 34 34 GLU N N 34 118.717 118.717 116.480 2.237 25469 776 1 2 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.239 -0.485 25469 777 1 2 . 1 1 34 34 GLU C C 34 178.701 178.701 175.906 2.795 25469 778 1 2 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.597 2.908 25469 779 1 2 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.130 1.214 25469 780 1 2 . 1 1 34 34 GLU H H 34 8.637 8.637 8.833 -0.196 25469 781 1 2 . 1 1 35 35 ALA N N 35 121.541 121.541 120.000 1.541 25469 782 1 2 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.681 -0.532 25469 783 1 2 . 1 1 35 35 ALA C C 35 180.483 180.483 176.981 3.502 25469 784 1 2 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.430 3.086 25469 785 1 2 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.741 -2.693 25469 786 1 2 . 1 1 35 35 ALA H H 35 7.823 7.823 7.842 -0.019 25469 787 1 2 . 1 1 36 36 ILE N N 36 117.449 117.449 117.834 -0.385 25469 788 1 2 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.063 -0.400 25469 789 1 2 . 1 1 36 36 ILE C C 36 178.665 178.665 176.113 2.552 25469 790 1 2 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.478 2.333 25469 791 1 2 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.669 0.121 25469 792 1 2 . 1 1 36 36 ILE H H 36 7.773 7.773 7.514 0.259 25469 793 1 2 . 1 1 37 37 PHE N N 37 113.524 113.524 117.112 -3.588 25469 794 1 2 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.973 -0.615 25469 795 1 2 . 1 1 37 37 PHE C C 37 179.593 179.593 177.445 2.148 25469 796 1 2 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.247 3.433 25469 797 1 2 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.479 -3.269 25469 798 1 2 . 1 1 37 37 PHE H H 37 8.566 8.566 8.310 0.256 25469 799 1 2 . 1 1 38 38 SER N N 38 122.025 122.025 115.143 6.882 25469 800 1 2 . 1 1 38 38 SER HA H 38 4.821 4.821 4.716 0.105 25469 801 1 2 . 1 1 38 38 SER C C 38 175.439 175.439 175.501 -0.062 25469 802 1 2 . 1 1 38 38 SER CA C 38 61.519 61.519 60.251 1.268 25469 803 1 2 . 1 1 38 38 SER CB C 38 62.765 62.765 63.541 -0.776 25469 804 1 2 . 1 1 38 38 SER H H 38 8.834 8.834 8.523 0.311 25469 805 1 2 . 1 1 39 39 LYS N N 39 119.387 119.387 118.834 0.553 25469 806 1 2 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.087 -0.126 25469 807 1 2 . 1 1 39 39 LYS C C 39 177.064 177.064 176.148 0.916 25469 808 1 2 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.331 0.948 25469 809 1 2 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.424 0.162 25469 810 1 2 . 1 1 39 39 LYS H H 39 7.054 7.054 7.995 -0.941 25469 811 1 2 . 1 1 40 40 TYR N N 40 114.433 114.433 118.618 -4.185 25469 812 1 2 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.597 -0.320 25469 813 1 2 . 1 1 40 40 TYR C C 40 174.842 174.842 174.945 -0.103 25469 814 1 2 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.876 0.974 25469 815 1 2 . 1 1 40 40 TYR CB C 40 38.427 38.427 39.998 -1.571 25469 816 1 2 . 1 1 40 40 TYR H H 40 6.956 6.956 7.376 -0.420 25469 817 1 2 . 1 1 41 41 GLY N N 41 106.514 106.514 103.835 2.679 25469 818 1 2 . 1 1 41 41 GLY C C 41 170.573 170.573 171.812 -1.239 25469 819 1 2 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.836 -0.280 25469 820 1 2 . 1 1 41 41 GLY H H 41 7.428 7.428 7.387 0.041 25469 821 1 2 . 1 1 42 42 LYS N N 42 117.788 117.788 121.707 -3.919 25469 822 1 2 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.370 -0.173 25469 823 1 2 . 1 1 42 42 LYS C C 42 176.536 176.536 176.077 0.459 25469 824 1 2 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.620 0.517 25469 825 1 2 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.704 0.263 25469 826 1 2 . 1 1 42 42 LYS H H 42 8.034 8.034 8.473 -0.439 25469 827 1 2 . 1 1 43 43 ILE N N 43 127.104 127.104 127.302 -0.198 25469 828 1 2 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.447 -0.423 25469 829 1 2 . 1 1 43 43 ILE C C 43 176.993 176.993 176.774 0.219 25469 830 1 2 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.714 -0.334 25469 831 1 2 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.428 0.485 25469 832 1 2 . 1 1 43 43 ILE H H 43 8.711 8.711 8.683 0.028 25469 833 1 2 . 1 1 44 44 VAL N N 44 121.993 121.993 119.629 2.364 25469 834 1 2 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.522 -0.158 25469 835 1 2 . 1 1 44 44 VAL C C 44 176.853 176.853 175.642 1.211 25469 836 1 2 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.219 0.639 25469 837 1 2 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.166 -0.614 25469 838 1 2 . 1 1 44 44 VAL H H 44 8.711 8.711 8.852 -0.141 25469 839 1 2 . 1 1 45 45 GLY N N 45 109.507 109.507 108.490 1.017 25469 840 1 2 . 1 1 45 45 GLY C C 45 171.266 171.266 171.847 -0.581 25469 841 1 2 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.748 -0.739 25469 842 1 2 . 1 1 45 45 GLY H H 45 7.530 7.530 7.581 -0.051 25469 843 1 2 . 1 1 46 46 CYS N N 46 124.546 124.546 118.074 6.472 25469 844 1 2 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.583 -0.552 25469 845 1 2 . 1 1 46 46 CYS C C 46 172.073 172.073 172.566 -0.493 25469 846 1 2 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.689 1.274 25469 847 1 2 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.732 -3.390 25469 848 1 2 . 1 1 46 46 CYS H H 46 8.982 8.982 9.117 -0.135 25469 849 1 2 . 1 1 47 47 SER N N 47 122.933 122.933 115.453 7.480 25469 850 1 2 . 1 1 47 47 SER HA H 47 4.908 4.908 4.806 0.102 25469 851 1 2 . 1 1 47 47 SER C C 47 171.849 171.849 172.321 -0.472 25469 852 1 2 . 1 1 47 47 SER CA C 47 56.585 56.585 57.545 -0.960 25469 853 1 2 . 1 1 47 47 SER CB C 47 65.733 65.733 65.605 0.128 25469 854 1 2 . 1 1 47 47 SER H H 47 8.569 8.569 9.085 -0.516 25469 855 1 2 . 1 1 48 48 VAL N N 48 121.588 121.588 121.168 0.420 25469 856 1 2 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.269 -0.131 25469 857 1 2 . 1 1 48 48 VAL C C 48 173.991 173.991 174.580 -0.589 25469 858 1 2 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.327 0.983 25469 859 1 2 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.841 -0.917 25469 860 1 2 . 1 1 48 48 VAL H H 48 8.565 8.565 8.325 0.240 25469 861 1 2 . 1 1 49 49 HIS N N 49 130.308 130.308 124.476 5.832 25469 862 1 2 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.755 -0.323 25469 863 1 2 . 1 1 49 49 HIS C C 49 173.950 173.950 173.784 0.166 25469 864 1 2 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.062 0.589 25469 865 1 2 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.125 -0.572 25469 866 1 2 . 1 1 49 49 HIS H H 49 8.441 8.441 8.692 -0.251 25469 867 1 2 . 1 1 50 50 LYS N N 50 121.937 121.937 120.160 1.777 25469 868 1 2 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.086 0.374 25469 869 1 2 . 1 1 50 50 LYS C C 50 175.528 175.528 177.372 -1.844 25469 870 1 2 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.030 0.259 25469 871 1 2 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.483 -1.005 25469 872 1 2 . 1 1 50 50 LYS H H 50 7.926 7.926 8.249 -0.323 25469 873 1 2 . 1 1 51 51 GLY N N 51 114.868 114.868 111.954 2.914 25469 874 1 2 . 1 1 51 51 GLY C C 51 174.253 174.253 173.031 1.222 25469 875 1 2 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.181 -0.661 25469 876 1 2 . 1 1 51 51 GLY H H 51 8.644 8.644 8.493 0.151 25469 877 1 2 . 1 1 52 52 PHE N N 52 112.790 112.790 115.216 -2.426 25469 878 1 2 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.640 -0.392 25469 879 1 2 . 1 1 52 52 PHE C C 52 171.606 171.606 172.904 -1.298 25469 880 1 2 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.408 0.822 25469 881 1 2 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.382 -0.337 25469 882 1 2 . 1 1 52 52 PHE H H 52 7.005 7.005 7.254 -0.249 25469 883 1 2 . 1 1 53 53 ALA N N 53 119.858 119.858 119.129 0.729 25469 884 1 2 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.872 -0.037 25469 885 1 2 . 1 1 53 53 ALA C C 53 173.030 173.030 174.599 -1.569 25469 886 1 2 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.182 -0.836 25469 887 1 2 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.441 2.292 25469 888 1 2 . 1 1 53 53 ALA H H 53 8.724 8.724 8.513 0.211 25469 889 1 2 . 1 1 54 54 PHE N N 54 112.158 112.158 116.360 -4.202 25469 890 1 2 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.680 -0.100 25469 891 1 2 . 1 1 54 54 PHE C C 54 175.765 175.765 174.188 1.577 25469 892 1 2 . 1 1 54 54 PHE CA C 54 56.604 56.604 56.899 -0.295 25469 893 1 2 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.519 -0.225 25469 894 1 2 . 1 1 54 54 PHE H H 54 8.764 8.764 9.050 -0.286 25469 895 1 2 . 1 1 55 55 VAL N N 55 118.628 118.628 120.475 -1.847 25469 896 1 2 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.545 -0.333 25469 897 1 2 . 1 1 55 55 VAL C C 55 172.807 172.807 173.653 -0.846 25469 898 1 2 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.668 1.209 25469 899 1 2 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.655 -0.702 25469 900 1 2 . 1 1 55 55 VAL H H 55 8.310 8.310 8.852 -0.542 25469 901 1 2 . 1 1 56 56 GLN N N 56 128.402 128.402 124.996 3.406 25469 902 1 2 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.732 -0.167 25469 903 1 2 . 1 1 56 56 GLN C C 56 173.894 173.894 174.121 -0.227 25469 904 1 2 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.740 0.473 25469 905 1 2 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.856 0.250 25469 906 1 2 . 1 1 56 56 GLN H H 56 9.253 9.253 8.920 0.333 25469 907 1 2 . 1 1 57 57 TYR N N 57 127.617 127.617 124.150 3.467 25469 908 1 2 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.336 -0.055 25469 909 1 2 . 1 1 57 57 TYR C C 57 175.610 175.610 176.990 -1.380 25469 910 1 2 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.537 2.154 25469 911 1 2 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.056 -0.987 25469 912 1 2 . 1 1 57 57 TYR H H 57 8.919 8.919 8.992 -0.073 25469 913 1 2 . 1 1 58 58 VAL N N 58 116.705 116.705 118.956 -2.251 25469 914 1 2 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.866 0.247 25469 915 1 2 . 1 1 58 58 VAL C C 58 175.860 175.860 175.753 0.107 25469 916 1 2 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.534 -0.505 25469 917 1 2 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.156 0.893 25469 918 1 2 . 1 1 58 58 VAL H H 58 9.458 9.458 8.774 0.684 25469 919 1 2 . 1 1 59 59 ASN N N 59 112.563 112.563 113.565 -1.002 25469 920 1 2 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.838 0.312 25469 921 1 2 . 1 1 59 59 ASN C C 59 174.483 174.483 174.657 -0.174 25469 922 1 2 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.353 -0.401 25469 923 1 2 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.019 2.158 25469 924 1 2 . 1 1 59 59 ASN H H 59 7.230 7.230 7.413 -0.183 25469 925 1 2 . 1 1 60 60 GLU N N 60 124.320 124.320 119.861 4.459 25469 926 1 2 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.180 0.135 25469 927 1 2 . 1 1 60 60 GLU C C 60 178.202 178.202 177.814 0.388 25469 928 1 2 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.543 -0.762 25469 929 1 2 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.718 0.659 25469 930 1 2 . 1 1 60 60 GLU H H 60 8.807 8.807 8.909 -0.102 25469 931 1 2 . 1 1 61 61 ARG N N 61 118.347 118.347 119.012 -0.665 25469 932 1 2 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.029 -0.039 25469 933 1 2 . 1 1 61 61 ARG C C 61 179.341 179.341 178.508 0.833 25469 934 1 2 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.581 0.886 25469 935 1 2 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.745 -0.344 25469 936 1 2 . 1 1 61 61 ARG H H 61 8.620 8.620 8.325 0.295 25469 937 1 2 . 1 1 62 62 ASN N N 62 118.085 118.085 117.199 0.886 25469 938 1 2 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.298 -0.021 25469 939 1 2 . 1 1 62 62 ASN C C 62 174.852 174.852 176.543 -1.691 25469 940 1 2 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.198 0.267 25469 941 1 2 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.128 0.879 25469 942 1 2 . 1 1 62 62 ASN H H 62 7.781 7.781 7.948 -0.167 25469 943 1 2 . 1 1 63 63 ALA N N 63 119.580 119.580 122.819 -3.239 25469 944 1 2 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.424 -0.676 25469 945 1 2 . 1 1 63 63 ALA C C 63 178.862 178.862 179.358 -0.496 25469 946 1 2 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.738 0.223 25469 947 1 2 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.731 -0.190 25469 948 1 2 . 1 1 63 63 ALA H H 63 6.775 6.775 7.256 -0.481 25469 949 1 2 . 1 1 64 64 ARG N N 64 114.991 114.991 118.357 -3.366 25469 950 1 2 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.153 -0.313 25469 951 1 2 . 1 1 64 64 ARG C C 64 179.776 179.776 178.621 1.155 25469 952 1 2 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.972 2.210 25469 953 1 2 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.698 -0.451 25469 954 1 2 . 1 1 64 64 ARG H H 64 8.737 8.737 8.460 0.277 25469 955 1 2 . 1 1 65 65 ALA N N 65 123.698 123.698 121.345 2.353 25469 956 1 2 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.296 -0.169 25469 957 1 2 . 1 1 65 65 ALA C C 65 179.561 179.561 178.516 1.045 25469 958 1 2 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.458 0.490 25469 959 1 2 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.345 -0.454 25469 960 1 2 . 1 1 65 65 ALA H H 65 7.820 7.820 7.563 0.257 25469 961 1 2 . 1 1 66 66 ALA N N 66 123.811 123.811 120.291 3.520 25469 962 1 2 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.713 -1.646 25469 963 1 2 . 1 1 66 66 ALA C C 66 179.260 179.260 179.437 -0.177 25469 964 1 2 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.496 -0.187 25469 965 1 2 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.019 0.289 25469 966 1 2 . 1 1 66 66 ALA H H 66 7.538 7.538 7.379 0.159 25469 967 1 2 . 1 1 67 67 VAL N N 67 116.571 116.571 118.207 -1.636 25469 968 1 2 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.630 -0.275 25469 969 1 2 . 1 1 67 67 VAL C C 67 177.744 177.744 177.598 0.146 25469 970 1 2 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.390 0.140 25469 971 1 2 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.839 0.128 25469 972 1 2 . 1 1 67 67 VAL H H 67 7.612 7.612 8.340 -0.728 25469 973 1 2 . 1 1 68 68 ALA N N 68 118.239 118.239 120.078 -1.839 25469 974 1 2 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.310 -0.189 25469 975 1 2 . 1 1 68 68 ALA C C 68 180.749 180.749 178.230 2.519 25469 976 1 2 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.389 0.963 25469 977 1 2 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.642 -0.545 25469 978 1 2 . 1 1 68 68 ALA H H 68 7.549 7.549 7.556 -0.007 25469 979 1 2 . 1 1 69 69 GLY N N 69 103.748 103.748 105.152 -1.404 25469 980 1 2 . 1 1 69 69 GLY C C 69 175.627 175.627 174.915 0.712 25469 981 1 2 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.036 1.050 25469 982 1 2 . 1 1 69 69 GLY H H 69 8.135 8.135 7.318 0.817 25469 983 1 2 . 1 1 70 70 GLU N N 70 114.571 114.571 116.306 -1.735 25469 984 1 2 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.368 0.264 25469 985 1 2 . 1 1 70 70 GLU C C 70 176.392 176.392 175.050 1.342 25469 986 1 2 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.912 -0.714 25469 987 1 2 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.930 -0.558 25469 988 1 2 . 1 1 70 70 GLU H H 70 7.653 7.653 7.598 0.055 25469 989 1 2 . 1 1 71 71 ASP N N 71 118.127 118.127 121.177 -3.050 25469 990 1 2 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.354 -0.069 25469 991 1 2 . 1 1 71 71 ASP C C 71 178.699 178.699 177.044 1.655 25469 992 1 2 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.986 1.556 25469 993 1 2 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.215 1.155 25469 994 1 2 . 1 1 71 71 ASP H H 71 8.026 8.026 7.567 0.459 25469 995 1 2 . 1 1 72 72 GLY N N 72 114.353 114.353 113.734 0.619 25469 996 1 2 . 1 1 72 72 GLY C C 72 173.792 173.792 174.375 -0.583 25469 997 1 2 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.134 0.625 25469 998 1 2 . 1 1 72 72 GLY H H 72 8.292 8.292 8.102 0.190 25469 999 1 2 . 1 1 73 73 ARG N N 73 121.996 121.996 118.810 3.186 25469 1000 1 2 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.426 -0.240 25469 1001 1 2 . 1 1 73 73 ARG C C 73 175.188 175.188 174.759 0.429 25469 1002 1 2 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.918 1.558 25469 1003 1 2 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.199 0.120 25469 1004 1 2 . 1 1 73 73 ARG H H 73 7.981 7.981 7.914 0.067 25469 1005 1 2 . 1 1 74 74 MET N N 74 125.120 125.120 120.586 4.534 25469 1006 1 2 . 1 1 74 74 MET HA H 74 4.795 4.795 4.658 0.137 25469 1007 1 2 . 1 1 74 74 MET C C 74 175.727 175.727 174.837 0.890 25469 1008 1 2 . 1 1 74 74 MET CA C 74 55.054 55.054 54.622 0.432 25469 1009 1 2 . 1 1 74 74 MET CB C 74 33.076 33.076 34.321 -1.245 25469 1010 1 2 . 1 1 74 74 MET H H 74 8.710 8.710 8.302 0.408 25469 1011 1 2 . 1 1 75 75 ILE N N 75 127.530 127.530 125.844 1.686 25469 1012 1 2 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 1013 1 2 . 1 1 75 75 ILE C C 75 175.277 175.277 175.653 -0.376 25469 1014 1 2 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.550 -0.820 25469 1015 1 2 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.331 -0.924 25469 1016 1 2 . 1 1 75 75 ILE H H 75 8.583 8.583 8.754 -0.171 25469 1017 1 2 . 1 1 76 76 ALA N N 76 132.166 132.166 130.141 2.025 25469 1018 1 2 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 1019 1 2 . 1 1 76 76 ALA C C 76 177.206 177.206 177.703 -0.497 25469 1020 1 2 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.262 -0.390 25469 1021 1 2 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.361 -0.113 25469 1022 1 2 . 1 1 76 76 ALA H H 76 9.540 9.540 9.047 0.493 25469 1023 1 2 . 1 1 77 77 GLY N N 77 101.685 101.685 102.794 -1.109 25469 1024 1 2 . 1 1 77 77 GLY C C 77 174.206 174.206 173.890 0.316 25469 1025 1 2 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.866 0.901 25469 1026 1 2 . 1 1 77 77 GLY H H 77 8.446 8.446 8.335 0.111 25469 1027 1 2 . 1 1 78 78 GLN N N 78 118.947 118.947 120.188 -1.241 25469 1028 1 2 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.657 0.074 25469 1029 1 2 . 1 1 78 78 GLN C C 78 174.047 174.047 174.804 -0.757 25469 1030 1 2 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.438 -0.177 25469 1031 1 2 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.676 0.428 25469 1032 1 2 . 1 1 78 78 GLN H H 78 7.708 7.708 8.112 -0.404 25469 1033 1 2 . 1 1 79 79 VAL N N 79 123.383 123.383 126.906 -3.523 25469 1034 1 2 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.487 -0.473 25469 1035 1 2 . 1 1 79 79 VAL C C 79 176.348 176.348 176.345 0.003 25469 1036 1 2 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.573 -0.905 25469 1037 1 2 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.281 -0.151 25469 1038 1 2 . 1 1 79 79 VAL H H 79 8.570 8.570 8.530 0.040 25469 1039 1 2 . 1 1 80 80 LEU N N 80 128.544 128.544 126.436 2.108 25469 1040 1 2 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.681 -0.373 25469 1041 1 2 . 1 1 80 80 LEU C C 80 176.522 176.522 176.234 0.288 25469 1042 1 2 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.426 2.475 25469 1043 1 2 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.881 -0.982 25469 1044 1 2 . 1 1 80 80 LEU H H 80 9.002 9.002 8.436 0.566 25469 1045 1 2 . 1 1 81 81 ASP N N 81 124.135 124.135 122.066 2.069 25469 1046 1 2 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.214 0.007 25469 1047 1 2 . 1 1 81 81 ASP C C 81 174.660 174.660 174.697 -0.037 25469 1048 1 2 . 1 1 81 81 ASP CA C 81 52.987 52.987 52.991 -0.004 25469 1049 1 2 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.289 0.478 25469 1050 1 2 . 1 1 81 81 ASP H H 81 7.718 7.718 8.378 -0.660 25469 1051 1 2 . 1 1 82 82 ILE N N 82 123.344 123.344 125.520 -2.176 25469 1052 1 2 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.912 0.485 25469 1053 1 2 . 1 1 82 82 ILE C C 82 174.521 174.521 174.122 0.399 25469 1054 1 2 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.957 -0.823 25469 1055 1 2 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.949 0.018 25469 1056 1 2 . 1 1 82 82 ILE H H 82 9.071 9.071 8.944 0.127 25469 1057 1 2 . 1 1 83 83 ASN N N 83 116.447 116.447 120.763 -4.316 25469 1058 1 2 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.989 -0.147 25469 1059 1 2 . 1 1 83 83 ASN C C 83 174.566 174.566 173.402 1.164 25469 1060 1 2 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.875 1.253 25469 1061 1 2 . 1 1 83 83 ASN CB C 83 43.074 43.074 41.203 1.871 25469 1062 1 2 . 1 1 83 83 ASN H H 83 8.494 8.494 8.764 -0.270 25469 1063 1 2 . 1 1 84 84 LEU N N 84 123.786 123.786 121.765 2.021 25469 1064 1 2 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.350 0.370 25469 1065 1 2 . 1 1 84 84 LEU C C 84 180.969 180.969 178.228 2.741 25469 1066 1 2 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.630 0.727 25469 1067 1 2 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.085 -0.766 25469 1068 1 2 . 1 1 84 84 LEU H H 84 9.414 9.414 8.976 0.438 25469 1069 1 2 . 1 1 85 85 ALA N N 85 127.577 127.577 129.214 -1.637 25469 1070 1 2 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.273 -0.225 25469 1071 1 2 . 1 1 85 85 ALA C C 85 177.932 177.932 176.613 1.319 25469 1072 1 2 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.419 1.929 25469 1073 1 2 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.031 -1.044 25469 1074 1 2 . 1 1 85 85 ALA H H 85 9.279 9.279 8.291 0.988 25469 1075 1 2 . 1 1 86 86 ALA N N 86 116.071 116.071 116.852 -0.781 25469 1076 1 2 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.415 -0.004 25469 1077 1 2 . 1 1 86 86 ALA C C 86 176.153 176.153 176.433 -0.280 25469 1078 1 2 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.070 -0.341 25469 1079 1 2 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.852 -0.542 25469 1080 1 2 . 1 1 86 86 ALA H H 86 8.687 8.687 8.119 0.568 25469 1081 1 2 . 1 1 87 87 GLU N N 87 118.959 118.959 119.720 -0.761 25469 1082 1 2 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.641 0.095 25469 1083 1 2 . 1 1 87 87 GLU C C 87 171.677 171.677 173.762 -2.085 25469 1084 1 2 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.143 0.029 25469 1085 1 2 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.288 -0.315 25469 1086 1 2 . 1 1 87 87 GLU H H 87 7.901 7.901 7.833 0.068 25469 1087 1 2 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.507 -0.164 25469 1088 1 2 . 1 1 88 88 PRO C C 88 177.303 177.303 177.653 -0.350 25469 1089 1 2 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.051 -0.133 25469 1090 1 2 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.492 -0.594 25469 1091 1 2 . 1 1 89 89 LYS N N 89 121.298 121.298 122.913 -1.615 25469 1092 1 2 . 1 1 89 89 LYS HA H 89 4.227 4.227 3.997 0.230 25469 1093 1 2 . 1 1 89 89 LYS C C 89 177.690 177.690 176.474 1.216 25469 1094 1 2 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.779 -1.977 25469 1095 1 2 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.023 1.481 25469 1096 1 2 . 1 1 89 89 LYS H H 89 7.973 7.973 8.848 -0.875 25469 1097 1 2 . 1 1 90 90 VAL N N 90 120.788 120.788 115.866 4.922 25469 1098 1 2 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.153 -0.224 25469 1099 1 2 . 1 1 90 90 VAL C C 90 176.170 176.170 175.319 0.851 25469 1100 1 2 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.503 0.714 25469 1101 1 2 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.709 -1.363 25469 1102 1 2 . 1 1 90 90 VAL H H 90 8.216 8.216 7.888 0.328 25469 1103 1 2 . 1 1 91 91 ASN N N 91 119.438 119.438 119.067 0.371 25469 1104 1 2 . 1 1 91 91 ASN HA H 91 4.659 4.659 5.173 -0.514 25469 1105 1 2 . 1 1 91 91 ASN C C 91 175.173 175.173 173.652 1.521 25469 1106 1 2 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.785 0.251 25469 1107 1 2 . 1 1 91 91 ASN CB C 91 38.167 38.167 40.719 -2.552 25469 1108 1 2 . 1 1 91 91 ASN H H 91 8.451 8.451 7.761 0.690 25469 1109 1 2 . 1 1 92 92 ARG N N 92 120.958 120.958 121.130 -0.172 25469 1110 1 2 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.676 -0.439 25469 1111 1 2 . 1 1 92 92 ARG C C 92 177.002 177.002 176.291 0.711 25469 1112 1 2 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.938 0.706 25469 1113 1 2 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.997 -0.471 25469 1114 1 2 . 1 1 92 92 ARG H H 92 7.978 7.978 8.435 -0.457 25469 1115 1 2 . 1 1 93 93 GLY N N 93 110.275 110.275 112.774 -2.499 25469 1116 1 2 . 1 1 93 93 GLY C C 93 174.246 174.246 173.679 0.567 25469 1117 1 2 . 1 1 93 93 GLY CA C 93 45.384 45.384 44.838 0.546 25469 1118 1 2 . 1 1 93 93 GLY H H 93 8.604 8.604 8.717 -0.113 25469 1119 1 2 . 1 1 94 94 LYS N N 94 120.750 120.750 118.923 1.827 25469 1120 1 2 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.623 -0.326 25469 1121 1 2 . 1 1 94 94 LYS C C 94 176.525 176.525 175.626 0.899 25469 1122 1 2 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.296 -0.252 25469 1123 1 2 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.476 -0.451 25469 1124 1 2 . 1 1 94 94 LYS H H 94 8.113 8.113 8.637 -0.524 25469 1125 1 2 . 1 1 95 95 ALA N N 95 124.912 124.912 120.645 4.267 25469 1126 1 2 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.773 -0.474 25469 1127 1 2 . 1 1 95 95 ALA C C 95 178.325 178.325 176.482 1.843 25469 1128 1 2 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.519 1.234 25469 1129 1 2 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.317 -2.177 25469 1130 1 2 . 1 1 95 95 ALA H H 95 8.367 8.367 7.522 0.845 25469 1131 1 2 . 1 1 96 96 GLY N N 96 108.328 108.328 106.433 1.895 25469 1132 1 2 . 1 1 96 96 GLY C C 96 174.096 174.096 174.023 0.073 25469 1133 1 2 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.986 -0.745 25469 1134 1 2 . 1 1 96 96 GLY H H 96 8.390 8.390 8.664 -0.274 25469 1135 1 2 . 1 1 97 97 VAL N N 97 119.774 119.774 118.406 1.368 25469 1136 1 2 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.071 0.006 25469 1137 1 2 . 1 1 97 97 VAL C C 97 176.156 176.156 175.538 0.618 25469 1138 1 2 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.043 0.256 25469 1139 1 2 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.795 0.059 25469 1140 1 2 . 1 1 97 97 VAL H H 97 7.925 7.925 7.448 0.477 25469 1141 1 2 . 1 1 98 98 LYS N N 98 126.024 126.024 126.481 -0.457 25469 1142 1 2 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.481 -0.155 25469 1143 1 2 . 1 1 98 98 LYS C C 98 176.427 176.427 176.077 0.350 25469 1144 1 2 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.110 -0.009 25469 1145 1 2 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.123 -0.062 25469 1146 1 2 . 1 1 98 98 LYS H H 98 8.473 8.473 8.445 0.028 25469 1147 1 2 . 1 1 99 99 ARG N N 99 123.644 123.644 119.469 4.175 25469 1148 1 2 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.542 -0.163 25469 1149 1 2 . 1 1 99 99 ARG C C 99 176.231 176.231 176.030 0.201 25469 1150 1 2 . 1 1 99 99 ARG CA C 99 55.932 55.932 54.887 1.045 25469 1151 1 2 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.523 -1.256 25469 1152 1 2 . 1 1 99 99 ARG H H 99 8.464 8.464 7.728 0.737 25469 1153 1 2 . 1 1 100 100 SER N N 100 117.863 117.863 116.871 0.992 25469 1154 1 2 . 1 1 100 100 SER HA H 100 4.449 4.449 4.400 0.049 25469 1155 1 2 . 1 1 100 100 SER C C 100 174.556 174.556 174.636 -0.080 25469 1156 1 2 . 1 1 100 100 SER CA C 100 57.985 57.985 59.706 -1.721 25469 1157 1 2 . 1 1 100 100 SER CB C 100 64.167 64.167 63.462 0.705 25469 1158 1 2 . 1 1 100 100 SER H H 100 8.516 8.516 8.969 -0.453 25469 1159 1 2 . 1 1 101 101 ALA N N 101 126.048 126.048 122.192 3.856 25469 1160 1 2 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.095 0.162 25469 1161 1 2 . 1 1 101 101 ALA C C 101 178.047 178.047 176.895 1.152 25469 1162 1 2 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.121 0.227 25469 1163 1 2 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.957 0.987 25469 1164 1 2 . 1 1 101 101 ALA H H 101 8.538 8.538 8.143 0.395 25469 1165 1 2 . 1 1 102 102 ALA N N 102 121.566 121.566 118.766 2.800 25469 1166 1 2 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.506 -0.281 25469 1167 1 2 . 1 1 102 102 ALA C C 102 178.254 178.254 178.405 -0.151 25469 1168 1 2 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.156 0.889 25469 1169 1 2 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.349 -0.305 25469 1170 1 2 . 1 1 102 102 ALA H H 102 8.212 8.212 8.076 0.136 25469 1171 1 2 . 1 1 103 103 GLU N N 103 118.735 118.735 118.158 0.577 25469 1172 1 2 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.214 -0.013 25469 1173 1 2 . 1 1 103 103 GLU C C 103 176.516 176.516 176.332 0.184 25469 1174 1 2 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.422 -1.766 25469 1175 1 2 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.038 1.189 25469 1176 1 2 . 1 1 103 103 GLU H H 103 8.071 8.071 8.893 -0.822 25469 1177 1 2 . 1 1 104 104 MET N N 104 120.106 120.106 117.989 2.117 25469 1178 1 2 . 1 1 104 104 MET HA H 104 4.326 4.326 4.561 -0.235 25469 1179 1 2 . 1 1 104 104 MET C C 104 175.862 175.862 175.589 0.273 25469 1180 1 2 . 1 1 104 104 MET CA C 104 55.939 55.939 55.242 0.697 25469 1181 1 2 . 1 1 104 104 MET CB C 104 32.999 32.999 32.607 0.392 25469 1182 1 2 . 1 1 104 104 MET H H 104 8.073 8.073 7.797 0.276 25469 1183 1 2 . 1 1 105 105 TYR N N 105 120.285 120.285 117.580 2.705 25469 1184 1 2 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.635 0.018 25469 1185 1 2 . 1 1 105 105 TYR C C 105 175.319 175.319 176.458 -1.139 25469 1186 1 2 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.799 -0.204 25469 1187 1 2 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.196 -0.257 25469 1188 1 2 . 1 1 105 105 TYR H H 105 8.126 8.126 7.629 0.497 25469 1189 1 3 . 1 1 3 3 SER HA H 3 4.553 4.553 4.587 -0.034 25469 1190 1 3 . 1 1 3 3 SER C C 3 173.408 173.408 175.373 -1.965 25469 1191 1 3 . 1 1 3 3 SER CA C 3 58.273 58.273 57.127 1.146 25469 1192 1 3 . 1 1 3 3 SER CB C 3 63.940 63.940 64.093 -0.153 25469 1193 1 3 . 1 1 4 4 ASN N N 4 120.235 120.235 119.173 1.062 25469 1194 1 3 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.844 0.373 25469 1195 1 3 . 1 1 4 4 ASN C C 4 176.243 176.243 174.377 1.866 25469 1196 1 3 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.525 -0.481 25469 1197 1 3 . 1 1 4 4 ASN CB C 4 38.732 38.732 39.002 -0.270 25469 1198 1 3 . 1 1 4 4 ASN H H 4 8.774 8.774 8.653 0.121 25469 1199 1 3 . 1 1 5 5 VAL N N 5 122.554 122.554 120.279 2.275 25469 1200 1 3 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.231 -0.462 25469 1201 1 3 . 1 1 5 5 VAL C C 5 177.223 177.223 175.229 1.994 25469 1202 1 3 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.400 3.411 25469 1203 1 3 . 1 1 5 5 VAL CB C 5 30.874 30.874 33.509 -2.635 25469 1204 1 3 . 1 1 5 5 VAL H H 5 8.315 8.315 7.494 0.821 25469 1205 1 3 . 1 1 6 6 THR N N 6 118.503 118.503 115.357 3.146 25469 1206 1 3 . 1 1 6 6 THR HA H 6 4.678 4.678 4.406 0.272 25469 1207 1 3 . 1 1 6 6 THR C C 6 174.350 174.350 173.399 0.951 25469 1208 1 3 . 1 1 6 6 THR CA C 6 60.560 60.560 61.466 -0.906 25469 1209 1 3 . 1 1 6 6 THR CB C 6 69.833 69.833 69.755 0.078 25469 1210 1 3 . 1 1 6 6 THR H H 6 9.394 9.394 8.412 0.982 25469 1211 1 3 . 1 1 7 7 ASN N N 7 120.872 120.872 119.669 1.203 25469 1212 1 3 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.661 -0.105 25469 1213 1 3 . 1 1 7 7 ASN C C 7 176.866 176.866 173.823 3.043 25469 1214 1 3 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.422 -0.525 25469 1215 1 3 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.568 -0.486 25469 1216 1 3 . 1 1 7 7 ASN H H 7 7.976 7.976 8.176 -0.200 25469 1217 1 3 . 1 1 8 8 LYS N N 8 121.728 121.728 122.894 -1.166 25469 1218 1 3 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.658 -0.402 25469 1219 1 3 . 1 1 8 8 LYS C C 8 180.142 180.142 175.334 4.808 25469 1220 1 3 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.544 2.656 25469 1221 1 3 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.511 -3.219 25469 1222 1 3 . 1 1 8 8 LYS H H 8 8.572 8.572 8.124 0.448 25469 1223 1 3 . 1 1 9 9 THR N N 9 110.858 110.858 110.868 -0.010 25469 1224 1 3 . 1 1 9 9 THR HA H 9 4.463 4.463 4.460 0.003 25469 1225 1 3 . 1 1 9 9 THR C C 9 174.485 174.485 173.591 0.894 25469 1226 1 3 . 1 1 9 9 THR CA C 9 61.246 61.246 61.067 0.179 25469 1227 1 3 . 1 1 9 9 THR CB C 9 69.039 69.039 69.180 -0.141 25469 1228 1 3 . 1 1 9 9 THR H H 9 8.691 8.691 8.525 0.166 25469 1229 1 3 . 1 1 10 10 ASP N N 10 121.014 121.014 123.652 -2.638 25469 1230 1 3 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.733 0.092 25469 1231 1 3 . 1 1 10 10 ASP C C 10 173.946 173.946 176.940 -2.994 25469 1232 1 3 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.332 -0.768 25469 1233 1 3 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.301 -1.700 25469 1234 1 3 . 1 1 10 10 ASP H H 10 7.907 7.907 7.993 -0.086 25469 1235 1 3 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.343 -0.188 25469 1236 1 3 . 1 1 11 11 PRO C C 11 178.421 178.421 176.634 1.787 25469 1237 1 3 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.692 1.549 25469 1238 1 3 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.142 0.056 25469 1239 1 3 . 1 1 12 12 ARG N N 12 116.361 116.361 116.691 -0.330 25469 1240 1 3 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.525 -0.433 25469 1241 1 3 . 1 1 12 12 ARG C C 12 180.446 180.446 176.941 3.505 25469 1242 1 3 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.642 1.893 25469 1243 1 3 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.381 -2.131 25469 1244 1 3 . 1 1 12 12 ARG H H 12 7.940 7.940 8.196 -0.256 25469 1245 1 3 . 1 1 13 13 SER N N 13 119.379 119.379 116.550 2.829 25469 1246 1 3 . 1 1 13 13 SER HA H 13 4.052 4.052 4.320 -0.268 25469 1247 1 3 . 1 1 13 13 SER C C 13 178.762 178.762 175.902 2.860 25469 1248 1 3 . 1 1 13 13 SER CA C 13 61.529 61.529 61.657 -0.128 25469 1249 1 3 . 1 1 13 13 SER CB C 13 61.778 61.778 63.224 -1.446 25469 1250 1 3 . 1 1 13 13 SER H H 13 8.143 8.143 8.412 -0.269 25469 1251 1 3 . 1 1 14 14 MET N N 14 120.327 120.327 114.671 5.656 25469 1252 1 3 . 1 1 14 14 MET HA H 14 4.097 4.097 4.506 -0.409 25469 1253 1 3 . 1 1 14 14 MET C C 14 178.576 178.576 175.096 3.480 25469 1254 1 3 . 1 1 14 14 MET CA C 14 58.293 58.293 57.287 1.006 25469 1255 1 3 . 1 1 14 14 MET CB C 14 31.813 31.813 32.959 -1.146 25469 1256 1 3 . 1 1 14 14 MET H H 14 8.238 8.238 7.601 0.637 25469 1257 1 3 . 1 1 15 15 ASN N N 15 115.378 115.378 116.619 -1.241 25469 1258 1 3 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.914 -0.289 25469 1259 1 3 . 1 1 15 15 ASN C C 15 172.556 172.556 176.676 -4.120 25469 1260 1 3 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.536 -0.507 25469 1261 1 3 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.545 -1.895 25469 1262 1 3 . 1 1 15 15 ASN H H 15 7.968 7.968 7.555 0.413 25469 1263 1 3 . 1 1 16 16 SER N N 16 106.215 106.215 115.570 -9.355 25469 1264 1 3 . 1 1 16 16 SER HA H 16 4.495 4.495 4.530 -0.035 25469 1265 1 3 . 1 1 16 16 SER C C 16 172.121 172.121 173.313 -1.192 25469 1266 1 3 . 1 1 16 16 SER CA C 16 56.785 56.785 59.583 -2.798 25469 1267 1 3 . 1 1 16 16 SER CB C 16 63.428 63.428 63.217 0.211 25469 1268 1 3 . 1 1 16 16 SER H H 16 7.253 7.253 7.916 -0.663 25469 1269 1 3 . 1 1 17 17 ARG N N 17 123.348 123.348 121.097 2.251 25469 1270 1 3 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.262 0.330 25469 1271 1 3 . 1 1 17 17 ARG C C 17 174.491 174.491 174.728 -0.237 25469 1272 1 3 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.021 -0.642 25469 1273 1 3 . 1 1 17 17 ARG CB C 17 32.909 32.909 34.042 -1.133 25469 1274 1 3 . 1 1 17 17 ARG H H 17 7.405 7.405 7.528 -0.123 25469 1275 1 3 . 1 1 18 18 VAL N N 18 122.328 122.328 122.452 -0.124 25469 1276 1 3 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.585 0.124 25469 1277 1 3 . 1 1 18 18 VAL C C 18 174.863 174.863 174.199 0.664 25469 1278 1 3 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.660 -1.003 25469 1279 1 3 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.252 -0.950 25469 1280 1 3 . 1 1 18 18 VAL H H 18 9.260 9.260 8.971 0.289 25469 1281 1 3 . 1 1 19 19 PHE N N 19 126.010 126.010 128.510 -2.500 25469 1282 1 3 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.352 0.114 25469 1283 1 3 . 1 1 19 19 PHE C C 19 171.967 171.967 173.731 -1.764 25469 1284 1 3 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.336 1.773 25469 1285 1 3 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.445 -0.422 25469 1286 1 3 . 1 1 19 19 PHE H H 19 9.159 9.159 9.272 -0.113 25469 1287 1 3 . 1 1 20 20 ILE N N 20 126.422 126.422 127.454 -1.032 25469 1288 1 3 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.091 -0.230 25469 1289 1 3 . 1 1 20 20 ILE C C 20 173.050 173.050 174.426 -1.376 25469 1290 1 3 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.914 -0.566 25469 1291 1 3 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.060 1.140 25469 1292 1 3 . 1 1 20 20 ILE H H 20 7.716 7.716 8.248 -0.532 25469 1293 1 3 . 1 1 21 21 GLY N N 21 113.182 113.182 111.436 1.746 25469 1294 1 3 . 1 1 21 21 GLY C C 21 173.769 173.769 173.935 -0.166 25469 1295 1 3 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.261 0.599 25469 1296 1 3 . 1 1 21 21 GLY H H 21 8.550 8.550 8.021 0.529 25469 1297 1 3 . 1 1 22 22 ASN N N 22 116.072 116.072 115.632 0.440 25469 1298 1 3 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.339 0.008 25469 1299 1 3 . 1 1 22 22 ASN C C 22 174.205 174.205 173.915 0.290 25469 1300 1 3 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.716 -0.283 25469 1301 1 3 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.734 1.092 25469 1302 1 3 . 1 1 22 22 ASN H H 22 7.291 7.291 8.589 -1.298 25469 1303 1 3 . 1 1 23 23 LEU N N 23 118.873 118.873 118.845 0.028 25469 1304 1 3 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.667 -0.739 25469 1305 1 3 . 1 1 23 23 LEU C C 23 176.551 176.551 176.235 0.316 25469 1306 1 3 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.407 -0.743 25469 1307 1 3 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.246 0.103 25469 1308 1 3 . 1 1 23 23 LEU H H 23 7.279 7.279 7.911 -0.632 25469 1309 1 3 . 1 1 24 24 ASN N N 24 124.260 124.260 123.719 0.541 25469 1310 1 3 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.485 0.274 25469 1311 1 3 . 1 1 24 24 ASN C C 24 175.831 175.831 175.671 0.160 25469 1312 1 3 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.385 -3.745 25469 1313 1 3 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.504 -2.949 25469 1314 1 3 . 1 1 24 24 ASN H H 24 9.075 9.075 8.794 0.281 25469 1315 1 3 . 1 1 25 25 THR N N 25 118.101 118.101 107.104 10.997 25469 1316 1 3 . 1 1 25 25 THR HA H 25 4.377 4.377 4.128 0.249 25469 1317 1 3 . 1 1 25 25 THR C C 25 175.286 175.286 174.035 1.251 25469 1318 1 3 . 1 1 25 25 THR CA C 25 63.324 63.324 64.073 -0.749 25469 1319 1 3 . 1 1 25 25 THR CB C 25 67.439 67.439 67.200 0.239 25469 1320 1 3 . 1 1 25 25 THR H H 25 8.226 8.226 8.156 0.070 25469 1321 1 3 . 1 1 26 26 LEU N N 26 121.285 121.285 118.440 2.845 25469 1322 1 3 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.493 -0.182 25469 1323 1 3 . 1 1 26 26 LEU C C 26 178.244 178.244 177.605 0.639 25469 1324 1 3 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.475 0.839 25469 1325 1 3 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.442 -1.114 25469 1326 1 3 . 1 1 26 26 LEU H H 26 7.670 7.670 7.659 0.011 25469 1327 1 3 . 1 1 27 27 VAL N N 27 114.562 114.562 116.110 -1.548 25469 1328 1 3 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.103 -0.056 25469 1329 1 3 . 1 1 27 27 VAL C C 27 175.200 175.200 175.776 -0.576 25469 1330 1 3 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.770 0.261 25469 1331 1 3 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.214 1.968 25469 1332 1 3 . 1 1 27 27 VAL H H 27 6.790 6.790 7.626 -0.836 25469 1333 1 3 . 1 1 28 28 VAL N N 28 121.996 121.996 120.688 1.308 25469 1334 1 3 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.178 -0.319 25469 1335 1 3 . 1 1 28 28 VAL C C 28 174.352 174.352 174.483 -0.131 25469 1336 1 3 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.300 1.892 25469 1337 1 3 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.955 -1.014 25469 1338 1 3 . 1 1 28 28 VAL H H 28 8.276 8.276 7.573 0.703 25469 1339 1 3 . 1 1 29 29 LYS N N 29 124.228 124.228 124.321 -0.093 25469 1340 1 3 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.677 -0.075 25469 1341 1 3 . 1 1 29 29 LYS C C 29 177.959 177.959 176.891 1.068 25469 1342 1 3 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.757 -1.111 25469 1343 1 3 . 1 1 29 29 LYS CB C 29 34.395 34.395 36.137 -1.742 25469 1344 1 3 . 1 1 29 29 LYS H H 29 8.925 8.925 7.986 0.940 25469 1345 1 3 . 1 1 30 30 LYS N N 30 123.350 123.350 121.016 2.334 25469 1346 1 3 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.057 -0.403 25469 1347 1 3 . 1 1 30 30 LYS C C 30 177.639 177.639 176.599 1.040 25469 1348 1 3 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.730 2.670 25469 1349 1 3 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.699 0.950 25469 1350 1 3 . 1 1 30 30 LYS H H 30 8.993 8.993 8.796 0.197 25469 1351 1 3 . 1 1 31 31 SER N N 31 111.465 111.465 113.954 -2.489 25469 1352 1 3 . 1 1 31 31 SER HA H 31 4.167 4.167 4.759 -0.592 25469 1353 1 3 . 1 1 31 31 SER C C 31 177.617 177.617 174.215 3.402 25469 1354 1 3 . 1 1 31 31 SER CA C 31 61.389 61.389 58.644 2.745 25469 1355 1 3 . 1 1 31 31 SER CB C 31 61.533 61.533 63.611 -2.078 25469 1356 1 3 . 1 1 31 31 SER H H 31 8.669 8.669 8.143 0.526 25469 1357 1 3 . 1 1 32 32 ASP N N 32 122.187 122.187 121.679 0.508 25469 1358 1 3 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.818 -0.298 25469 1359 1 3 . 1 1 32 32 ASP C C 32 178.194 178.194 178.289 -0.095 25469 1360 1 3 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.903 1.285 25469 1361 1 3 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.487 -0.640 25469 1362 1 3 . 1 1 32 32 ASP H H 32 7.141 7.141 8.105 -0.964 25469 1363 1 3 . 1 1 33 33 VAL N N 33 120.138 120.138 119.958 0.180 25469 1364 1 3 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.935 -0.474 25469 1365 1 3 . 1 1 33 33 VAL C C 33 178.624 178.624 176.778 1.846 25469 1366 1 3 . 1 1 33 33 VAL CA C 33 67.374 67.374 67.082 0.292 25469 1367 1 3 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.694 -0.409 25469 1368 1 3 . 1 1 33 33 VAL H H 33 7.956 7.956 8.069 -0.113 25469 1369 1 3 . 1 1 34 34 GLU N N 34 118.717 118.717 116.920 1.797 25469 1370 1 3 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.216 -0.462 25469 1371 1 3 . 1 1 34 34 GLU C C 34 178.701 178.701 175.903 2.798 25469 1372 1 3 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.669 2.836 25469 1373 1 3 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.379 0.965 25469 1374 1 3 . 1 1 34 34 GLU H H 34 8.637 8.637 8.816 -0.179 25469 1375 1 3 . 1 1 35 35 ALA N N 35 121.541 121.541 120.106 1.435 25469 1376 1 3 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.583 -0.434 25469 1377 1 3 . 1 1 35 35 ALA C C 35 180.483 180.483 177.351 3.132 25469 1378 1 3 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.736 2.780 25469 1379 1 3 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.294 -2.246 25469 1380 1 3 . 1 1 35 35 ALA H H 35 7.823 7.823 7.995 -0.172 25469 1381 1 3 . 1 1 36 36 ILE N N 36 117.449 117.449 117.142 0.307 25469 1382 1 3 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.054 -0.391 25469 1383 1 3 . 1 1 36 36 ILE C C 36 178.665 178.665 175.979 2.686 25469 1384 1 3 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.887 1.924 25469 1385 1 3 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.599 0.191 25469 1386 1 3 . 1 1 36 36 ILE H H 36 7.773 7.773 7.530 0.243 25469 1387 1 3 . 1 1 37 37 PHE N N 37 113.524 113.524 117.187 -3.663 25469 1388 1 3 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.995 -0.637 25469 1389 1 3 . 1 1 37 37 PHE C C 37 179.593 179.593 177.539 2.054 25469 1390 1 3 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.553 3.127 25469 1391 1 3 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.490 -3.280 25469 1392 1 3 . 1 1 37 37 PHE H H 37 8.566 8.566 8.313 0.253 25469 1393 1 3 . 1 1 38 38 SER N N 38 122.025 122.025 115.283 6.742 25469 1394 1 3 . 1 1 38 38 SER HA H 38 4.821 4.821 4.689 0.132 25469 1395 1 3 . 1 1 38 38 SER C C 38 175.439 175.439 175.487 -0.048 25469 1396 1 3 . 1 1 38 38 SER CA C 38 61.519 61.519 60.223 1.296 25469 1397 1 3 . 1 1 38 38 SER CB C 38 62.765 62.765 63.532 -0.767 25469 1398 1 3 . 1 1 38 38 SER H H 38 8.834 8.834 8.490 0.344 25469 1399 1 3 . 1 1 39 39 LYS N N 39 119.387 119.387 118.328 1.059 25469 1400 1 3 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.097 -0.136 25469 1401 1 3 . 1 1 39 39 LYS C C 39 177.064 177.064 176.193 0.871 25469 1402 1 3 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.342 0.937 25469 1403 1 3 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.621 -0.035 25469 1404 1 3 . 1 1 39 39 LYS H H 39 7.054 7.054 7.945 -0.891 25469 1405 1 3 . 1 1 40 40 TYR N N 40 114.433 114.433 118.308 -3.875 25469 1406 1 3 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.564 -0.287 25469 1407 1 3 . 1 1 40 40 TYR C C 40 174.842 174.842 174.645 0.197 25469 1408 1 3 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.474 0.376 25469 1409 1 3 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.405 -1.978 25469 1410 1 3 . 1 1 40 40 TYR H H 40 6.956 6.956 7.473 -0.517 25469 1411 1 3 . 1 1 41 41 GLY N N 41 106.514 106.514 104.834 1.680 25469 1412 1 3 . 1 1 41 41 GLY C C 41 170.573 170.573 171.814 -1.241 25469 1413 1 3 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.926 -0.370 25469 1414 1 3 . 1 1 41 41 GLY H H 41 7.428 7.428 7.281 0.147 25469 1415 1 3 . 1 1 42 42 LYS N N 42 117.788 117.788 121.640 -3.852 25469 1416 1 3 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.410 -0.213 25469 1417 1 3 . 1 1 42 42 LYS C C 42 176.536 176.536 175.992 0.544 25469 1418 1 3 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.512 0.624 25469 1419 1 3 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.938 0.029 25469 1420 1 3 . 1 1 42 42 LYS H H 42 8.034 8.034 8.473 -0.439 25469 1421 1 3 . 1 1 43 43 ILE N N 43 127.104 127.104 127.166 -0.062 25469 1422 1 3 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.454 -0.430 25469 1423 1 3 . 1 1 43 43 ILE C C 43 176.993 176.993 176.667 0.326 25469 1424 1 3 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.711 -0.331 25469 1425 1 3 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.711 0.202 25469 1426 1 3 . 1 1 43 43 ILE H H 43 8.711 8.711 8.625 0.086 25469 1427 1 3 . 1 1 44 44 VAL N N 44 121.993 121.993 121.455 0.538 25469 1428 1 3 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.500 -0.136 25469 1429 1 3 . 1 1 44 44 VAL C C 44 176.853 176.853 175.138 1.715 25469 1430 1 3 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.216 0.642 25469 1431 1 3 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.070 -0.518 25469 1432 1 3 . 1 1 44 44 VAL H H 44 8.711 8.711 8.744 -0.033 25469 1433 1 3 . 1 1 45 45 GLY N N 45 109.507 109.507 107.828 1.679 25469 1434 1 3 . 1 1 45 45 GLY C C 45 171.266 171.266 172.085 -0.819 25469 1435 1 3 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.730 -0.721 25469 1436 1 3 . 1 1 45 45 GLY H H 45 7.530 7.530 7.529 0.001 25469 1437 1 3 . 1 1 46 46 CYS N N 46 124.546 124.546 117.558 6.988 25469 1438 1 3 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.506 -0.475 25469 1439 1 3 . 1 1 46 46 CYS C C 46 172.073 172.073 172.334 -0.261 25469 1440 1 3 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.794 1.169 25469 1441 1 3 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.881 -3.539 25469 1442 1 3 . 1 1 46 46 CYS H H 46 8.982 8.982 9.224 -0.242 25469 1443 1 3 . 1 1 47 47 SER N N 47 122.933 122.933 115.135 7.798 25469 1444 1 3 . 1 1 47 47 SER HA H 47 4.908 4.908 4.821 0.087 25469 1445 1 3 . 1 1 47 47 SER C C 47 171.849 171.849 172.077 -0.228 25469 1446 1 3 . 1 1 47 47 SER CA C 47 56.585 56.585 57.355 -0.770 25469 1447 1 3 . 1 1 47 47 SER CB C 47 65.733 65.733 65.085 0.648 25469 1448 1 3 . 1 1 47 47 SER H H 47 8.569 8.569 8.923 -0.354 25469 1449 1 3 . 1 1 48 48 VAL N N 48 121.588 121.588 122.327 -0.739 25469 1450 1 3 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.310 -0.172 25469 1451 1 3 . 1 1 48 48 VAL C C 48 173.991 173.991 174.216 -0.225 25469 1452 1 3 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.356 0.954 25469 1453 1 3 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.771 -0.847 25469 1454 1 3 . 1 1 48 48 VAL H H 48 8.565 8.565 8.239 0.326 25469 1455 1 3 . 1 1 49 49 HIS N N 49 130.308 130.308 123.600 6.708 25469 1456 1 3 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.775 -0.343 25469 1457 1 3 . 1 1 49 49 HIS C C 49 173.950 173.950 173.913 0.037 25469 1458 1 3 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.258 0.393 25469 1459 1 3 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.665 -1.112 25469 1460 1 3 . 1 1 49 49 HIS H H 49 8.441 8.441 8.806 -0.365 25469 1461 1 3 . 1 1 50 50 LYS N N 50 121.937 121.937 119.836 2.101 25469 1462 1 3 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.979 0.481 25469 1463 1 3 . 1 1 50 50 LYS C C 50 175.528 175.528 177.146 -1.618 25469 1464 1 3 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.707 -0.418 25469 1465 1 3 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.510 -2.032 25469 1466 1 3 . 1 1 50 50 LYS H H 50 7.926 7.926 8.188 -0.262 25469 1467 1 3 . 1 1 51 51 GLY N N 51 114.868 114.868 111.663 3.205 25469 1468 1 3 . 1 1 51 51 GLY C C 51 174.253 174.253 173.191 1.062 25469 1469 1 3 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.208 -0.688 25469 1470 1 3 . 1 1 51 51 GLY H H 51 8.644 8.644 8.624 0.020 25469 1471 1 3 . 1 1 52 52 PHE N N 52 112.790 112.790 115.143 -2.353 25469 1472 1 3 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.629 -0.381 25469 1473 1 3 . 1 1 52 52 PHE C C 52 171.606 171.606 172.897 -1.291 25469 1474 1 3 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.315 0.915 25469 1475 1 3 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.464 -0.419 25469 1476 1 3 . 1 1 52 52 PHE H H 52 7.005 7.005 7.192 -0.187 25469 1477 1 3 . 1 1 53 53 ALA N N 53 119.858 119.858 119.209 0.649 25469 1478 1 3 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.903 -0.068 25469 1479 1 3 . 1 1 53 53 ALA C C 53 173.030 173.030 174.563 -1.533 25469 1480 1 3 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.140 -0.794 25469 1481 1 3 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.436 2.297 25469 1482 1 3 . 1 1 53 53 ALA H H 53 8.724 8.724 8.386 0.338 25469 1483 1 3 . 1 1 54 54 PHE N N 54 112.158 112.158 116.048 -3.890 25469 1484 1 3 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.688 -0.108 25469 1485 1 3 . 1 1 54 54 PHE C C 54 175.765 175.765 174.217 1.548 25469 1486 1 3 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.113 -0.509 25469 1487 1 3 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.498 -0.204 25469 1488 1 3 . 1 1 54 54 PHE H H 54 8.764 8.764 9.087 -0.323 25469 1489 1 3 . 1 1 55 55 VAL N N 55 118.628 118.628 120.262 -1.634 25469 1490 1 3 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.573 -0.361 25469 1491 1 3 . 1 1 55 55 VAL C C 55 172.807 172.807 173.765 -0.958 25469 1492 1 3 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.900 0.977 25469 1493 1 3 . 1 1 55 55 VAL CB C 55 34.953 34.953 36.047 -1.094 25469 1494 1 3 . 1 1 55 55 VAL H H 55 8.310 8.310 8.835 -0.525 25469 1495 1 3 . 1 1 56 56 GLN N N 56 128.402 128.402 122.805 5.597 25469 1496 1 3 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.944 -0.379 25469 1497 1 3 . 1 1 56 56 GLN C C 56 173.894 173.894 174.117 -0.223 25469 1498 1 3 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.895 0.318 25469 1499 1 3 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.352 -0.246 25469 1500 1 3 . 1 1 56 56 GLN H H 56 9.253 9.253 8.770 0.483 25469 1501 1 3 . 1 1 57 57 TYR N N 57 127.617 127.617 123.654 3.963 25469 1502 1 3 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.357 -0.076 25469 1503 1 3 . 1 1 57 57 TYR C C 57 175.610 175.610 176.962 -1.352 25469 1504 1 3 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.186 2.505 25469 1505 1 3 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.384 -1.315 25469 1506 1 3 . 1 1 57 57 TYR H H 57 8.919 8.919 9.086 -0.167 25469 1507 1 3 . 1 1 58 58 VAL N N 58 116.705 116.705 119.385 -2.680 25469 1508 1 3 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.790 0.323 25469 1509 1 3 . 1 1 58 58 VAL C C 58 175.860 175.860 175.440 0.420 25469 1510 1 3 . 1 1 58 58 VAL CA C 58 64.029 64.029 65.282 -1.254 25469 1511 1 3 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.277 0.772 25469 1512 1 3 . 1 1 58 58 VAL H H 58 9.458 9.458 8.737 0.721 25469 1513 1 3 . 1 1 59 59 ASN N N 59 112.563 112.563 111.286 1.277 25469 1514 1 3 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.903 0.247 25469 1515 1 3 . 1 1 59 59 ASN C C 59 174.483 174.483 175.384 -0.901 25469 1516 1 3 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.105 -0.153 25469 1517 1 3 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.596 1.581 25469 1518 1 3 . 1 1 59 59 ASN H H 59 7.230 7.230 7.453 -0.223 25469 1519 1 3 . 1 1 60 60 GLU N N 60 124.320 124.320 120.632 3.688 25469 1520 1 3 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.112 0.203 25469 1521 1 3 . 1 1 60 60 GLU C C 60 178.202 178.202 177.722 0.480 25469 1522 1 3 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.444 -0.663 25469 1523 1 3 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.857 0.521 25469 1524 1 3 . 1 1 60 60 GLU H H 60 8.807 8.807 8.897 -0.090 25469 1525 1 3 . 1 1 61 61 ARG N N 61 118.347 118.347 118.981 -0.634 25469 1526 1 3 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.025 -0.035 25469 1527 1 3 . 1 1 61 61 ARG C C 61 179.341 179.341 178.532 0.809 25469 1528 1 3 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.586 0.881 25469 1529 1 3 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.745 -0.344 25469 1530 1 3 . 1 1 61 61 ARG H H 61 8.620 8.620 8.313 0.307 25469 1531 1 3 . 1 1 62 62 ASN N N 62 118.085 118.085 117.134 0.951 25469 1532 1 3 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.308 -0.031 25469 1533 1 3 . 1 1 62 62 ASN C C 62 174.852 174.852 176.438 -1.586 25469 1534 1 3 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.186 0.279 25469 1535 1 3 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.189 0.818 25469 1536 1 3 . 1 1 62 62 ASN H H 62 7.781 7.781 7.960 -0.179 25469 1537 1 3 . 1 1 63 63 ALA N N 63 119.580 119.580 122.945 -3.365 25469 1538 1 3 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.391 -0.643 25469 1539 1 3 . 1 1 63 63 ALA C C 63 178.862 178.862 179.317 -0.455 25469 1540 1 3 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.684 0.277 25469 1541 1 3 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.750 -0.209 25469 1542 1 3 . 1 1 63 63 ALA H H 63 6.775 6.775 7.278 -0.503 25469 1543 1 3 . 1 1 64 64 ARG N N 64 114.991 114.991 118.416 -3.425 25469 1544 1 3 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.145 -0.305 25469 1545 1 3 . 1 1 64 64 ARG C C 64 179.776 179.776 178.608 1.168 25469 1546 1 3 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.045 2.137 25469 1547 1 3 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.707 -0.460 25469 1548 1 3 . 1 1 64 64 ARG H H 64 8.737 8.737 8.435 0.302 25469 1549 1 3 . 1 1 65 65 ALA N N 65 123.698 123.698 121.344 2.354 25469 1550 1 3 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.310 -0.183 25469 1551 1 3 . 1 1 65 65 ALA C C 65 179.561 179.561 178.582 0.979 25469 1552 1 3 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.474 0.475 25469 1553 1 3 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.339 -0.448 25469 1554 1 3 . 1 1 65 65 ALA H H 65 7.820 7.820 7.553 0.267 25469 1555 1 3 . 1 1 66 66 ALA N N 66 123.811 123.811 120.214 3.597 25469 1556 1 3 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.775 -1.708 25469 1557 1 3 . 1 1 66 66 ALA C C 66 179.260 179.260 179.387 -0.127 25469 1558 1 3 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.613 -0.304 25469 1559 1 3 . 1 1 66 66 ALA CB C 66 19.308 19.308 18.963 0.345 25469 1560 1 3 . 1 1 66 66 ALA H H 66 7.538 7.538 7.351 0.187 25469 1561 1 3 . 1 1 67 67 VAL N N 67 116.571 116.571 117.794 -1.223 25469 1562 1 3 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.723 -0.368 25469 1563 1 3 . 1 1 67 67 VAL C C 67 177.744 177.744 177.759 -0.015 25469 1564 1 3 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.345 0.185 25469 1565 1 3 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.240 0.727 25469 1566 1 3 . 1 1 67 67 VAL H H 67 7.612 7.612 8.295 -0.683 25469 1567 1 3 . 1 1 68 68 ALA N N 68 118.239 118.239 120.225 -1.986 25469 1568 1 3 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.286 -0.165 25469 1569 1 3 . 1 1 68 68 ALA C C 68 180.749 180.749 178.246 2.503 25469 1570 1 3 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.405 0.947 25469 1571 1 3 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.697 -0.600 25469 1572 1 3 . 1 1 68 68 ALA H H 68 7.549 7.549 7.584 -0.035 25469 1573 1 3 . 1 1 69 69 GLY N N 69 103.748 103.748 105.110 -1.362 25469 1574 1 3 . 1 1 69 69 GLY C C 69 175.627 175.627 174.890 0.737 25469 1575 1 3 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.058 1.028 25469 1576 1 3 . 1 1 69 69 GLY H H 69 8.135 8.135 7.312 0.823 25469 1577 1 3 . 1 1 70 70 GLU N N 70 114.571 114.571 116.608 -2.037 25469 1578 1 3 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.338 0.294 25469 1579 1 3 . 1 1 70 70 GLU C C 70 176.392 176.392 174.950 1.442 25469 1580 1 3 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.945 -0.747 25469 1581 1 3 . 1 1 70 70 GLU CB C 70 31.372 31.372 32.012 -0.640 25469 1582 1 3 . 1 1 70 70 GLU H H 70 7.653 7.653 7.613 0.040 25469 1583 1 3 . 1 1 71 71 ASP N N 71 118.127 118.127 121.168 -3.041 25469 1584 1 3 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.360 -0.075 25469 1585 1 3 . 1 1 71 71 ASP C C 71 178.699 178.699 177.023 1.676 25469 1586 1 3 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.945 1.597 25469 1587 1 3 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.187 1.183 25469 1588 1 3 . 1 1 71 71 ASP H H 71 8.026 8.026 7.552 0.474 25469 1589 1 3 . 1 1 72 72 GLY N N 72 114.353 114.353 113.701 0.652 25469 1590 1 3 . 1 1 72 72 GLY C C 72 173.792 173.792 174.364 -0.572 25469 1591 1 3 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.132 0.627 25469 1592 1 3 . 1 1 72 72 GLY H H 72 8.292 8.292 8.035 0.257 25469 1593 1 3 . 1 1 73 73 ARG N N 73 121.996 121.996 118.783 3.213 25469 1594 1 3 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.427 -0.241 25469 1595 1 3 . 1 1 73 73 ARG C C 73 175.188 175.188 174.733 0.455 25469 1596 1 3 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.930 1.546 25469 1597 1 3 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.216 0.103 25469 1598 1 3 . 1 1 73 73 ARG H H 73 7.981 7.981 7.900 0.081 25469 1599 1 3 . 1 1 74 74 MET N N 74 125.120 125.120 120.607 4.513 25469 1600 1 3 . 1 1 74 74 MET HA H 74 4.795 4.795 4.675 0.120 25469 1601 1 3 . 1 1 74 74 MET C C 74 175.727 175.727 174.845 0.882 25469 1602 1 3 . 1 1 74 74 MET CA C 74 55.054 55.054 54.743 0.311 25469 1603 1 3 . 1 1 74 74 MET CB C 74 33.076 33.076 34.330 -1.254 25469 1604 1 3 . 1 1 74 74 MET H H 74 8.710 8.710 8.336 0.374 25469 1605 1 3 . 1 1 75 75 ILE N N 75 127.530 127.530 125.742 1.788 25469 1606 1 3 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 1607 1 3 . 1 1 75 75 ILE C C 75 175.277 175.277 175.614 -0.337 25469 1608 1 3 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.622 -0.891 25469 1609 1 3 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.412 -1.005 25469 1610 1 3 . 1 1 75 75 ILE H H 75 8.583 8.583 8.777 -0.194 25469 1611 1 3 . 1 1 76 76 ALA N N 76 132.166 132.166 130.077 2.089 25469 1612 1 3 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.991 0.041 25469 1613 1 3 . 1 1 76 76 ALA C C 76 177.206 177.206 177.721 -0.515 25469 1614 1 3 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.251 -0.379 25469 1615 1 3 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.361 -0.113 25469 1616 1 3 . 1 1 76 76 ALA H H 76 9.540 9.540 9.038 0.502 25469 1617 1 3 . 1 1 77 77 GLY N N 77 101.685 101.685 102.828 -1.143 25469 1618 1 3 . 1 1 77 77 GLY C C 77 174.206 174.206 173.902 0.304 25469 1619 1 3 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.878 0.889 25469 1620 1 3 . 1 1 77 77 GLY H H 77 8.446 8.446 8.342 0.104 25469 1621 1 3 . 1 1 78 78 GLN N N 78 118.947 118.947 120.146 -1.199 25469 1622 1 3 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.659 0.072 25469 1623 1 3 . 1 1 78 78 GLN C C 78 174.047 174.047 174.806 -0.759 25469 1624 1 3 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.442 -0.181 25469 1625 1 3 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.715 0.389 25469 1626 1 3 . 1 1 78 78 GLN H H 78 7.708 7.708 8.122 -0.414 25469 1627 1 3 . 1 1 79 79 VAL N N 79 123.383 123.383 126.841 -3.458 25469 1628 1 3 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.475 -0.461 25469 1629 1 3 . 1 1 79 79 VAL C C 79 176.348 176.348 176.347 0.001 25469 1630 1 3 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.567 -0.899 25469 1631 1 3 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.284 -0.155 25469 1632 1 3 . 1 1 79 79 VAL H H 79 8.570 8.570 8.530 0.040 25469 1633 1 3 . 1 1 80 80 LEU N N 80 128.544 128.544 126.204 2.340 25469 1634 1 3 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.685 -0.377 25469 1635 1 3 . 1 1 80 80 LEU C C 80 176.522 176.522 176.222 0.300 25469 1636 1 3 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.382 2.519 25469 1637 1 3 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.884 -0.985 25469 1638 1 3 . 1 1 80 80 LEU H H 80 9.002 9.002 8.439 0.563 25469 1639 1 3 . 1 1 81 81 ASP N N 81 124.135 124.135 121.970 2.165 25469 1640 1 3 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.212 0.009 25469 1641 1 3 . 1 1 81 81 ASP C C 81 174.660 174.660 174.645 0.015 25469 1642 1 3 . 1 1 81 81 ASP CA C 81 52.987 52.987 52.929 0.058 25469 1643 1 3 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.340 0.427 25469 1644 1 3 . 1 1 81 81 ASP H H 81 7.718 7.718 8.406 -0.688 25469 1645 1 3 . 1 1 82 82 ILE N N 82 123.344 123.344 125.779 -2.435 25469 1646 1 3 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.996 0.401 25469 1647 1 3 . 1 1 82 82 ILE C C 82 174.521 174.521 174.128 0.393 25469 1648 1 3 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.886 -0.752 25469 1649 1 3 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.081 -0.114 25469 1650 1 3 . 1 1 82 82 ILE H H 82 9.071 9.071 9.070 0.001 25469 1651 1 3 . 1 1 83 83 ASN N N 83 116.447 116.447 120.492 -4.045 25469 1652 1 3 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.994 -0.152 25469 1653 1 3 . 1 1 83 83 ASN C C 83 174.566 174.566 173.409 1.157 25469 1654 1 3 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.901 1.227 25469 1655 1 3 . 1 1 83 83 ASN CB C 83 43.074 43.074 41.084 1.990 25469 1656 1 3 . 1 1 83 83 ASN H H 83 8.494 8.494 8.680 -0.186 25469 1657 1 3 . 1 1 84 84 LEU N N 84 123.786 123.786 120.900 2.886 25469 1658 1 3 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.434 0.286 25469 1659 1 3 . 1 1 84 84 LEU C C 84 180.969 180.969 178.580 2.389 25469 1660 1 3 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.454 -0.097 25469 1661 1 3 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.133 -1.814 25469 1662 1 3 . 1 1 84 84 LEU H H 84 9.414 9.414 8.874 0.540 25469 1663 1 3 . 1 1 85 85 ALA N N 85 127.577 127.577 129.483 -1.906 25469 1664 1 3 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.342 -0.294 25469 1665 1 3 . 1 1 85 85 ALA C C 85 177.932 177.932 176.831 1.101 25469 1666 1 3 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.299 2.050 25469 1667 1 3 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.036 -1.049 25469 1668 1 3 . 1 1 85 85 ALA H H 85 9.279 9.279 8.319 0.960 25469 1669 1 3 . 1 1 86 86 ALA N N 86 116.071 116.071 117.555 -1.484 25469 1670 1 3 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.418 -0.008 25469 1671 1 3 . 1 1 86 86 ALA C C 86 176.153 176.153 176.618 -0.465 25469 1672 1 3 . 1 1 86 86 ALA CA C 86 51.729 51.729 51.999 -0.270 25469 1673 1 3 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.750 -0.440 25469 1674 1 3 . 1 1 86 86 ALA H H 86 8.687 8.687 8.110 0.577 25469 1675 1 3 . 1 1 87 87 GLU N N 87 118.959 118.959 119.878 -0.919 25469 1676 1 3 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.633 0.103 25469 1677 1 3 . 1 1 87 87 GLU C C 87 171.677 171.677 173.818 -2.141 25469 1678 1 3 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.276 -0.104 25469 1679 1 3 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.193 -0.220 25469 1680 1 3 . 1 1 87 87 GLU H H 87 7.901 7.901 7.814 0.087 25469 1681 1 3 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.446 -0.103 25469 1682 1 3 . 1 1 88 88 PRO C C 88 177.303 177.303 176.745 0.558 25469 1683 1 3 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.147 -0.229 25469 1684 1 3 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.273 -0.375 25469 1685 1 3 . 1 1 89 89 LYS N N 89 121.298 121.298 124.700 -3.402 25469 1686 1 3 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.247 -0.020 25469 1687 1 3 . 1 1 89 89 LYS C C 89 177.690 177.690 176.118 1.572 25469 1688 1 3 . 1 1 89 89 LYS CA C 89 56.802 56.802 57.219 -0.417 25469 1689 1 3 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.584 0.920 25469 1690 1 3 . 1 1 89 89 LYS H H 89 7.973 7.973 8.887 -0.914 25469 1691 1 3 . 1 1 90 90 VAL N N 90 120.788 120.788 112.369 8.419 25469 1692 1 3 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.310 -0.381 25469 1693 1 3 . 1 1 90 90 VAL C C 90 176.170 176.170 176.069 0.101 25469 1694 1 3 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.706 0.511 25469 1695 1 3 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.889 -0.543 25469 1696 1 3 . 1 1 90 90 VAL H H 90 8.216 8.216 8.084 0.132 25469 1697 1 3 . 1 1 91 91 ASN N N 91 119.438 119.438 118.811 0.627 25469 1698 1 3 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.708 -0.049 25469 1699 1 3 . 1 1 91 91 ASN C C 91 175.173 175.173 175.218 -0.045 25469 1700 1 3 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.975 -0.938 25469 1701 1 3 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.808 -0.641 25469 1702 1 3 . 1 1 91 91 ASN H H 91 8.451 8.451 8.397 0.054 25469 1703 1 3 . 1 1 92 92 ARG N N 92 120.958 120.958 121.777 -0.819 25469 1704 1 3 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.275 -0.038 25469 1705 1 3 . 1 1 92 92 ARG C C 92 177.002 177.002 176.404 0.598 25469 1706 1 3 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.662 -0.018 25469 1707 1 3 . 1 1 92 92 ARG CB C 92 30.526 30.526 29.375 1.151 25469 1708 1 3 . 1 1 92 92 ARG H H 92 7.978 7.978 7.960 0.018 25469 1709 1 3 . 1 1 93 93 GLY N N 93 110.275 110.275 112.434 -2.159 25469 1710 1 3 . 1 1 93 93 GLY C C 93 174.246 174.246 173.998 0.248 25469 1711 1 3 . 1 1 93 93 GLY CA C 93 45.384 45.384 44.822 0.562 25469 1712 1 3 . 1 1 93 93 GLY H H 93 8.604 8.604 8.233 0.371 25469 1713 1 3 . 1 1 94 94 LYS N N 94 120.750 120.750 118.498 2.252 25469 1714 1 3 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.741 -0.444 25469 1715 1 3 . 1 1 94 94 LYS C C 94 176.525 176.525 175.178 1.347 25469 1716 1 3 . 1 1 94 94 LYS CA C 94 56.044 56.044 55.840 0.204 25469 1717 1 3 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.907 -0.882 25469 1718 1 3 . 1 1 94 94 LYS H H 94 8.113 8.113 8.571 -0.458 25469 1719 1 3 . 1 1 95 95 ALA N N 95 124.912 124.912 122.007 2.905 25469 1720 1 3 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.732 -0.433 25469 1721 1 3 . 1 1 95 95 ALA C C 95 178.325 178.325 176.863 1.462 25469 1722 1 3 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.513 1.239 25469 1723 1 3 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.892 -1.752 25469 1724 1 3 . 1 1 95 95 ALA H H 95 8.367 8.367 7.637 0.730 25469 1725 1 3 . 1 1 96 96 GLY N N 96 108.328 108.328 107.414 0.914 25469 1726 1 3 . 1 1 96 96 GLY C C 96 174.096 174.096 174.089 0.007 25469 1727 1 3 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.672 -0.430 25469 1728 1 3 . 1 1 96 96 GLY H H 96 8.390 8.390 8.658 -0.268 25469 1729 1 3 . 1 1 97 97 VAL N N 97 119.774 119.774 117.996 1.778 25469 1730 1 3 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.225 -0.148 25469 1731 1 3 . 1 1 97 97 VAL C C 97 176.156 176.156 175.450 0.706 25469 1732 1 3 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.268 1.031 25469 1733 1 3 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.961 -1.107 25469 1734 1 3 . 1 1 97 97 VAL H H 97 7.925 7.925 7.350 0.575 25469 1735 1 3 . 1 1 98 98 LYS N N 98 126.024 126.024 126.449 -0.425 25469 1736 1 3 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.530 -0.204 25469 1737 1 3 . 1 1 98 98 LYS C C 98 176.427 176.427 175.736 0.691 25469 1738 1 3 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.841 0.260 25469 1739 1 3 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.051 0.010 25469 1740 1 3 . 1 1 98 98 LYS H H 98 8.473 8.473 8.475 -0.002 25469 1741 1 3 . 1 1 99 99 ARG N N 99 123.644 123.644 119.679 3.965 25469 1742 1 3 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.674 -0.295 25469 1743 1 3 . 1 1 99 99 ARG C C 99 176.231 176.231 176.120 0.111 25469 1744 1 3 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.364 0.568 25469 1745 1 3 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.969 -0.702 25469 1746 1 3 . 1 1 99 99 ARG H H 99 8.464 8.464 7.780 0.684 25469 1747 1 3 . 1 1 100 100 SER N N 100 117.863 117.863 117.084 0.779 25469 1748 1 3 . 1 1 100 100 SER HA H 100 4.449 4.449 4.380 0.069 25469 1749 1 3 . 1 1 100 100 SER C C 100 174.556 174.556 174.512 0.044 25469 1750 1 3 . 1 1 100 100 SER CA C 100 57.985 57.985 59.701 -1.716 25469 1751 1 3 . 1 1 100 100 SER CB C 100 64.167 64.167 63.355 0.812 25469 1752 1 3 . 1 1 100 100 SER H H 100 8.516 8.516 8.662 -0.146 25469 1753 1 3 . 1 1 101 101 ALA N N 101 126.048 126.048 120.468 5.580 25469 1754 1 3 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.038 0.219 25469 1755 1 3 . 1 1 101 101 ALA C C 101 178.047 178.047 176.581 1.466 25469 1756 1 3 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.334 0.014 25469 1757 1 3 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.430 1.516 25469 1758 1 3 . 1 1 101 101 ALA H H 101 8.538 8.538 8.055 0.483 25469 1759 1 3 . 1 1 102 102 ALA N N 102 121.566 121.566 118.684 2.882 25469 1760 1 3 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.588 -0.363 25469 1761 1 3 . 1 1 102 102 ALA C C 102 178.254 178.254 178.379 -0.125 25469 1762 1 3 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.204 0.841 25469 1763 1 3 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.351 -0.308 25469 1764 1 3 . 1 1 102 102 ALA H H 102 8.212 8.212 8.036 0.176 25469 1765 1 3 . 1 1 103 103 GLU N N 103 118.735 118.735 120.040 -1.305 25469 1766 1 3 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.208 -0.007 25469 1767 1 3 . 1 1 103 103 GLU C C 103 176.516 176.516 177.029 -0.513 25469 1768 1 3 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.056 -1.400 25469 1769 1 3 . 1 1 103 103 GLU CB C 103 30.227 30.227 28.715 1.512 25469 1770 1 3 . 1 1 103 103 GLU H H 103 8.071 8.071 9.007 -0.936 25469 1771 1 3 . 1 1 104 104 MET N N 104 120.106 120.106 116.287 3.819 25469 1772 1 3 . 1 1 104 104 MET HA H 104 4.326 4.326 4.363 -0.037 25469 1773 1 3 . 1 1 104 104 MET C C 104 175.862 175.862 175.222 0.640 25469 1774 1 3 . 1 1 104 104 MET CA C 104 55.939 55.939 55.403 0.536 25469 1775 1 3 . 1 1 104 104 MET CB C 104 32.999 32.999 33.221 -0.222 25469 1776 1 3 . 1 1 104 104 MET H H 104 8.073 8.073 8.045 0.028 25469 1777 1 3 . 1 1 105 105 TYR N N 105 120.285 120.285 116.467 3.818 25469 1778 1 3 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.754 -0.101 25469 1779 1 3 . 1 1 105 105 TYR C C 105 175.319 175.319 175.878 -0.559 25469 1780 1 3 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.892 -0.297 25469 1781 1 3 . 1 1 105 105 TYR CB C 105 38.939 38.939 40.152 -1.213 25469 1782 1 3 . 1 1 105 105 TYR H H 105 8.126 8.126 7.914 0.212 25469 1783 1 4 . 1 1 3 3 SER HA H 3 4.553 4.553 4.519 0.034 25469 1784 1 4 . 1 1 3 3 SER C C 3 173.408 173.408 175.179 -1.771 25469 1785 1 4 . 1 1 3 3 SER CA C 3 58.273 58.273 57.583 0.690 25469 1786 1 4 . 1 1 3 3 SER CB C 3 63.940 63.940 63.938 0.002 25469 1787 1 4 . 1 1 4 4 ASN N N 4 120.235 120.235 119.195 1.040 25469 1788 1 4 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.894 0.323 25469 1789 1 4 . 1 1 4 4 ASN C C 4 176.243 176.243 174.281 1.962 25469 1790 1 4 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.297 -0.253 25469 1791 1 4 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.953 -0.221 25469 1792 1 4 . 1 1 4 4 ASN H H 4 8.774 8.774 8.617 0.157 25469 1793 1 4 . 1 1 5 5 VAL N N 5 122.554 122.554 120.272 2.282 25469 1794 1 4 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.249 -0.480 25469 1795 1 4 . 1 1 5 5 VAL C C 5 177.223 177.223 175.351 1.872 25469 1796 1 4 . 1 1 5 5 VAL CA C 5 65.811 65.811 61.987 3.824 25469 1797 1 4 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.900 -2.026 25469 1798 1 4 . 1 1 5 5 VAL H H 5 8.315 8.315 7.600 0.715 25469 1799 1 4 . 1 1 6 6 THR N N 6 118.503 118.503 114.828 3.675 25469 1800 1 4 . 1 1 6 6 THR HA H 6 4.678 4.678 4.426 0.252 25469 1801 1 4 . 1 1 6 6 THR C C 6 174.350 174.350 173.381 0.969 25469 1802 1 4 . 1 1 6 6 THR CA C 6 60.560 60.560 60.776 -0.216 25469 1803 1 4 . 1 1 6 6 THR CB C 6 69.833 69.833 70.150 -0.317 25469 1804 1 4 . 1 1 6 6 THR H H 6 9.394 9.394 8.332 1.062 25469 1805 1 4 . 1 1 7 7 ASN N N 7 120.872 120.872 119.628 1.244 25469 1806 1 4 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.597 -0.041 25469 1807 1 4 . 1 1 7 7 ASN C C 7 176.866 176.866 173.754 3.112 25469 1808 1 4 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.825 -0.928 25469 1809 1 4 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.731 -0.649 25469 1810 1 4 . 1 1 7 7 ASN H H 7 7.976 7.976 8.112 -0.136 25469 1811 1 4 . 1 1 8 8 LYS N N 8 121.728 121.728 123.497 -1.769 25469 1812 1 4 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.668 -0.412 25469 1813 1 4 . 1 1 8 8 LYS C C 8 180.142 180.142 175.645 4.497 25469 1814 1 4 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.603 2.597 25469 1815 1 4 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.416 -3.124 25469 1816 1 4 . 1 1 8 8 LYS H H 8 8.572 8.572 8.040 0.532 25469 1817 1 4 . 1 1 9 9 THR N N 9 110.858 110.858 112.067 -1.209 25469 1818 1 4 . 1 1 9 9 THR HA H 9 4.463 4.463 4.390 0.073 25469 1819 1 4 . 1 1 9 9 THR C C 9 174.485 174.485 173.824 0.661 25469 1820 1 4 . 1 1 9 9 THR CA C 9 61.246 61.246 61.177 0.069 25469 1821 1 4 . 1 1 9 9 THR CB C 9 69.039 69.039 69.040 -0.001 25469 1822 1 4 . 1 1 9 9 THR H H 9 8.691 8.691 8.611 0.080 25469 1823 1 4 . 1 1 10 10 ASP N N 10 121.014 121.014 123.556 -2.542 25469 1824 1 4 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.740 0.085 25469 1825 1 4 . 1 1 10 10 ASP C C 10 173.946 173.946 176.757 -2.811 25469 1826 1 4 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.374 -0.810 25469 1827 1 4 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.365 -1.764 25469 1828 1 4 . 1 1 10 10 ASP H H 10 7.907 7.907 7.909 -0.002 25469 1829 1 4 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.381 -0.226 25469 1830 1 4 . 1 1 11 11 PRO C C 11 178.421 178.421 176.560 1.861 25469 1831 1 4 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.629 1.612 25469 1832 1 4 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.103 0.095 25469 1833 1 4 . 1 1 12 12 ARG N N 12 116.361 116.361 116.223 0.138 25469 1834 1 4 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.565 -0.473 25469 1835 1 4 . 1 1 12 12 ARG C C 12 180.446 180.446 176.928 3.518 25469 1836 1 4 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.524 2.011 25469 1837 1 4 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.084 -1.834 25469 1838 1 4 . 1 1 12 12 ARG H H 12 7.940 7.940 8.108 -0.168 25469 1839 1 4 . 1 1 13 13 SER N N 13 119.379 119.379 116.644 2.735 25469 1840 1 4 . 1 1 13 13 SER HA H 13 4.052 4.052 4.608 -0.556 25469 1841 1 4 . 1 1 13 13 SER C C 13 178.762 178.762 175.580 3.182 25469 1842 1 4 . 1 1 13 13 SER CA C 13 61.529 61.529 61.710 -0.181 25469 1843 1 4 . 1 1 13 13 SER CB C 13 61.778 61.778 63.568 -1.790 25469 1844 1 4 . 1 1 13 13 SER H H 13 8.143 8.143 8.221 -0.078 25469 1845 1 4 . 1 1 14 14 MET N N 14 120.327 120.327 116.645 3.682 25469 1846 1 4 . 1 1 14 14 MET HA H 14 4.097 4.097 4.428 -0.331 25469 1847 1 4 . 1 1 14 14 MET C C 14 178.576 178.576 175.533 3.043 25469 1848 1 4 . 1 1 14 14 MET CA C 14 58.293 58.293 57.529 0.764 25469 1849 1 4 . 1 1 14 14 MET CB C 14 31.813 31.813 33.208 -1.395 25469 1850 1 4 . 1 1 14 14 MET H H 14 8.238 8.238 7.915 0.323 25469 1851 1 4 . 1 1 15 15 ASN N N 15 115.378 115.378 115.315 0.063 25469 1852 1 4 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.854 -0.229 25469 1853 1 4 . 1 1 15 15 ASN C C 15 172.556 172.556 176.278 -3.722 25469 1854 1 4 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.398 -0.369 25469 1855 1 4 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.203 -1.553 25469 1856 1 4 . 1 1 15 15 ASN H H 15 7.968 7.968 8.333 -0.365 25469 1857 1 4 . 1 1 16 16 SER N N 16 106.215 106.215 114.617 -8.402 25469 1858 1 4 . 1 1 16 16 SER HA H 16 4.495 4.495 4.565 -0.070 25469 1859 1 4 . 1 1 16 16 SER C C 16 172.121 172.121 173.747 -1.626 25469 1860 1 4 . 1 1 16 16 SER CA C 16 56.785 56.785 59.173 -2.388 25469 1861 1 4 . 1 1 16 16 SER CB C 16 63.428 63.428 63.710 -0.282 25469 1862 1 4 . 1 1 16 16 SER H H 16 7.253 7.253 7.877 -0.624 25469 1863 1 4 . 1 1 17 17 ARG N N 17 123.348 123.348 121.769 1.579 25469 1864 1 4 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.258 0.334 25469 1865 1 4 . 1 1 17 17 ARG C C 17 174.491 174.491 174.987 -0.496 25469 1866 1 4 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.217 -0.837 25469 1867 1 4 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.714 -0.805 25469 1868 1 4 . 1 1 17 17 ARG H H 17 7.405 7.405 7.703 -0.298 25469 1869 1 4 . 1 1 18 18 VAL N N 18 122.328 122.328 122.964 -0.636 25469 1870 1 4 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.528 0.181 25469 1871 1 4 . 1 1 18 18 VAL C C 18 174.863 174.863 174.150 0.713 25469 1872 1 4 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.162 -0.505 25469 1873 1 4 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.637 -0.335 25469 1874 1 4 . 1 1 18 18 VAL H H 18 9.260 9.260 9.033 0.227 25469 1875 1 4 . 1 1 19 19 PHE N N 19 126.010 126.010 128.987 -2.977 25469 1876 1 4 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.335 0.131 25469 1877 1 4 . 1 1 19 19 PHE C C 19 171.967 171.967 173.688 -1.721 25469 1878 1 4 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.655 1.454 25469 1879 1 4 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.213 -0.190 25469 1880 1 4 . 1 1 19 19 PHE H H 19 9.159 9.159 9.205 -0.046 25469 1881 1 4 . 1 1 20 20 ILE N N 20 126.422 126.422 127.441 -1.019 25469 1882 1 4 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.100 -0.239 25469 1883 1 4 . 1 1 20 20 ILE C C 20 173.050 173.050 174.405 -1.355 25469 1884 1 4 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.916 -0.568 25469 1885 1 4 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.098 1.102 25469 1886 1 4 . 1 1 20 20 ILE H H 20 7.716 7.716 8.214 -0.498 25469 1887 1 4 . 1 1 21 21 GLY N N 21 113.182 113.182 111.617 1.565 25469 1888 1 4 . 1 1 21 21 GLY C C 21 173.769 173.769 173.966 -0.197 25469 1889 1 4 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.297 0.563 25469 1890 1 4 . 1 1 21 21 GLY H H 21 8.550 8.550 8.025 0.525 25469 1891 1 4 . 1 1 22 22 ASN N N 22 116.072 116.072 115.619 0.453 25469 1892 1 4 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.340 0.007 25469 1893 1 4 . 1 1 22 22 ASN C C 22 174.205 174.205 173.946 0.259 25469 1894 1 4 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.702 -0.269 25469 1895 1 4 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.747 1.079 25469 1896 1 4 . 1 1 22 22 ASN H H 22 7.291 7.291 8.591 -1.300 25469 1897 1 4 . 1 1 23 23 LEU N N 23 118.873 118.873 118.905 -0.032 25469 1898 1 4 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.643 -0.715 25469 1899 1 4 . 1 1 23 23 LEU C C 23 176.551 176.551 176.339 0.212 25469 1900 1 4 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.530 -0.865 25469 1901 1 4 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.074 0.275 25469 1902 1 4 . 1 1 23 23 LEU H H 23 7.279 7.279 7.813 -0.534 25469 1903 1 4 . 1 1 24 24 ASN N N 24 124.260 124.260 124.266 -0.006 25469 1904 1 4 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.463 0.296 25469 1905 1 4 . 1 1 24 24 ASN C C 24 175.831 175.831 175.925 -0.094 25469 1906 1 4 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.668 -4.028 25469 1907 1 4 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.331 -2.776 25469 1908 1 4 . 1 1 24 24 ASN H H 24 9.075 9.075 8.806 0.269 25469 1909 1 4 . 1 1 25 25 THR N N 25 118.101 118.101 105.538 12.563 25469 1910 1 4 . 1 1 25 25 THR HA H 25 4.377 4.377 4.091 0.286 25469 1911 1 4 . 1 1 25 25 THR C C 25 175.286 175.286 174.098 1.188 25469 1912 1 4 . 1 1 25 25 THR CA C 25 63.324 63.324 63.839 -0.515 25469 1913 1 4 . 1 1 25 25 THR CB C 25 67.439 67.439 67.313 0.126 25469 1914 1 4 . 1 1 25 25 THR H H 25 8.226 8.226 7.983 0.243 25469 1915 1 4 . 1 1 26 26 LEU N N 26 121.285 121.285 117.748 3.537 25469 1916 1 4 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.298 0.013 25469 1917 1 4 . 1 1 26 26 LEU C C 26 178.244 178.244 177.208 1.036 25469 1918 1 4 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.507 0.807 25469 1919 1 4 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.121 -0.793 25469 1920 1 4 . 1 1 26 26 LEU H H 26 7.670 7.670 7.614 0.056 25469 1921 1 4 . 1 1 27 27 VAL N N 27 114.562 114.562 115.279 -0.717 25469 1922 1 4 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.211 -0.164 25469 1923 1 4 . 1 1 27 27 VAL C C 27 175.200 175.200 175.483 -0.283 25469 1924 1 4 . 1 1 27 27 VAL CA C 27 63.031 63.031 63.156 -0.125 25469 1925 1 4 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.833 2.349 25469 1926 1 4 . 1 1 27 27 VAL H H 27 6.790 6.790 7.556 -0.766 25469 1927 1 4 . 1 1 28 28 VAL N N 28 121.996 121.996 120.355 1.641 25469 1928 1 4 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.178 -0.319 25469 1929 1 4 . 1 1 28 28 VAL C C 28 174.352 174.352 174.747 -0.395 25469 1930 1 4 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.981 1.211 25469 1931 1 4 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.617 -0.676 25469 1932 1 4 . 1 1 28 28 VAL H H 28 8.276 8.276 7.844 0.432 25469 1933 1 4 . 1 1 29 29 LYS N N 29 124.228 124.228 126.075 -1.847 25469 1934 1 4 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.711 -0.109 25469 1935 1 4 . 1 1 29 29 LYS C C 29 177.959 177.959 177.094 0.865 25469 1936 1 4 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.439 -0.793 25469 1937 1 4 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.865 -1.470 25469 1938 1 4 . 1 1 29 29 LYS H H 29 8.925 8.925 8.035 0.890 25469 1939 1 4 . 1 1 30 30 LYS N N 30 123.350 123.350 121.315 2.035 25469 1940 1 4 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.088 -0.434 25469 1941 1 4 . 1 1 30 30 LYS C C 30 177.639 177.639 176.519 1.120 25469 1942 1 4 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.566 2.834 25469 1943 1 4 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.543 1.106 25469 1944 1 4 . 1 1 30 30 LYS H H 30 8.993 8.993 8.686 0.307 25469 1945 1 4 . 1 1 31 31 SER N N 31 111.465 111.465 113.694 -2.229 25469 1946 1 4 . 1 1 31 31 SER HA H 31 4.167 4.167 4.738 -0.571 25469 1947 1 4 . 1 1 31 31 SER C C 31 177.617 177.617 174.065 3.552 25469 1948 1 4 . 1 1 31 31 SER CA C 31 61.389 61.389 58.557 2.832 25469 1949 1 4 . 1 1 31 31 SER CB C 31 61.533 61.533 63.688 -2.155 25469 1950 1 4 . 1 1 31 31 SER H H 31 8.669 8.669 8.084 0.585 25469 1951 1 4 . 1 1 32 32 ASP N N 32 122.187 122.187 121.828 0.359 25469 1952 1 4 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.818 -0.298 25469 1953 1 4 . 1 1 32 32 ASP C C 32 178.194 178.194 178.312 -0.118 25469 1954 1 4 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.943 1.245 25469 1955 1 4 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.441 -0.594 25469 1956 1 4 . 1 1 32 32 ASP H H 32 7.141 7.141 8.139 -0.998 25469 1957 1 4 . 1 1 33 33 VAL N N 33 120.138 120.138 120.079 0.059 25469 1958 1 4 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.927 -0.466 25469 1959 1 4 . 1 1 33 33 VAL C C 33 178.624 178.624 176.647 1.977 25469 1960 1 4 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.887 0.487 25469 1961 1 4 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.670 -0.385 25469 1962 1 4 . 1 1 33 33 VAL H H 33 7.956 7.956 8.051 -0.095 25469 1963 1 4 . 1 1 34 34 GLU N N 34 118.717 118.717 116.253 2.464 25469 1964 1 4 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.200 -0.446 25469 1965 1 4 . 1 1 34 34 GLU C C 34 178.701 178.701 175.893 2.808 25469 1966 1 4 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.600 2.905 25469 1967 1 4 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.706 0.638 25469 1968 1 4 . 1 1 34 34 GLU H H 34 8.637 8.637 8.731 -0.094 25469 1969 1 4 . 1 1 35 35 ALA N N 35 121.541 121.541 119.931 1.610 25469 1970 1 4 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.675 -0.526 25469 1971 1 4 . 1 1 35 35 ALA C C 35 180.483 180.483 177.028 3.455 25469 1972 1 4 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.434 3.082 25469 1973 1 4 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.692 -2.643 25469 1974 1 4 . 1 1 35 35 ALA H H 35 7.823 7.823 7.813 0.010 25469 1975 1 4 . 1 1 36 36 ILE N N 36 117.449 117.449 117.913 -0.464 25469 1976 1 4 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.079 -0.416 25469 1977 1 4 . 1 1 36 36 ILE C C 36 178.665 178.665 176.251 2.414 25469 1978 1 4 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.620 2.191 25469 1979 1 4 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.600 0.190 25469 1980 1 4 . 1 1 36 36 ILE H H 36 7.773 7.773 7.516 0.257 25469 1981 1 4 . 1 1 37 37 PHE N N 37 113.524 113.524 117.231 -3.707 25469 1982 1 4 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.988 -0.630 25469 1983 1 4 . 1 1 37 37 PHE C C 37 179.593 179.593 177.553 2.040 25469 1984 1 4 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.570 3.110 25469 1985 1 4 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.394 -3.184 25469 1986 1 4 . 1 1 37 37 PHE H H 37 8.566 8.566 8.373 0.193 25469 1987 1 4 . 1 1 38 38 SER N N 38 122.025 122.025 114.879 7.146 25469 1988 1 4 . 1 1 38 38 SER HA H 38 4.821 4.821 4.677 0.144 25469 1989 1 4 . 1 1 38 38 SER C C 38 175.439 175.439 175.484 -0.045 25469 1990 1 4 . 1 1 38 38 SER CA C 38 61.519 61.519 60.271 1.248 25469 1991 1 4 . 1 1 38 38 SER CB C 38 62.765 62.765 63.518 -0.753 25469 1992 1 4 . 1 1 38 38 SER H H 38 8.834 8.834 8.562 0.272 25469 1993 1 4 . 1 1 39 39 LYS N N 39 119.387 119.387 118.856 0.531 25469 1994 1 4 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.098 -0.137 25469 1995 1 4 . 1 1 39 39 LYS C C 39 177.064 177.064 176.180 0.884 25469 1996 1 4 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.253 1.026 25469 1997 1 4 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.434 0.152 25469 1998 1 4 . 1 1 39 39 LYS H H 39 7.054 7.054 7.950 -0.896 25469 1999 1 4 . 1 1 40 40 TYR N N 40 114.433 114.433 118.312 -3.879 25469 2000 1 4 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.561 -0.284 25469 2001 1 4 . 1 1 40 40 TYR C C 40 174.842 174.842 174.641 0.201 25469 2002 1 4 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.430 0.420 25469 2003 1 4 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.325 -1.898 25469 2004 1 4 . 1 1 40 40 TYR H H 40 6.956 6.956 7.446 -0.490 25469 2005 1 4 . 1 1 41 41 GLY N N 41 106.514 106.514 104.800 1.714 25469 2006 1 4 . 1 1 41 41 GLY C C 41 170.573 170.573 171.826 -1.253 25469 2007 1 4 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.912 -0.356 25469 2008 1 4 . 1 1 41 41 GLY H H 41 7.428 7.428 7.270 0.158 25469 2009 1 4 . 1 1 42 42 LYS N N 42 117.788 117.788 121.742 -3.954 25469 2010 1 4 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.387 -0.190 25469 2011 1 4 . 1 1 42 42 LYS C C 42 176.536 176.536 175.996 0.540 25469 2012 1 4 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.604 0.532 25469 2013 1 4 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.924 0.043 25469 2014 1 4 . 1 1 42 42 LYS H H 42 8.034 8.034 8.475 -0.441 25469 2015 1 4 . 1 1 43 43 ILE N N 43 127.104 127.104 127.273 -0.169 25469 2016 1 4 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.429 -0.405 25469 2017 1 4 . 1 1 43 43 ILE C C 43 176.993 176.993 176.565 0.428 25469 2018 1 4 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.676 -0.296 25469 2019 1 4 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.548 0.365 25469 2020 1 4 . 1 1 43 43 ILE H H 43 8.711 8.711 8.653 0.058 25469 2021 1 4 . 1 1 44 44 VAL N N 44 121.993 121.993 119.512 2.481 25469 2022 1 4 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.504 -0.140 25469 2023 1 4 . 1 1 44 44 VAL C C 44 176.853 176.853 175.191 1.662 25469 2024 1 4 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.310 0.548 25469 2025 1 4 . 1 1 44 44 VAL CB C 44 32.552 32.552 32.782 -0.230 25469 2026 1 4 . 1 1 44 44 VAL H H 44 8.711 8.711 8.685 0.026 25469 2027 1 4 . 1 1 45 45 GLY N N 45 109.507 109.507 107.675 1.832 25469 2028 1 4 . 1 1 45 45 GLY C C 45 171.266 171.266 171.654 -0.388 25469 2029 1 4 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.669 -0.660 25469 2030 1 4 . 1 1 45 45 GLY H H 45 7.530 7.530 7.433 0.097 25469 2031 1 4 . 1 1 46 46 CYS N N 46 124.546 124.546 121.290 3.256 25469 2032 1 4 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.493 -0.462 25469 2033 1 4 . 1 1 46 46 CYS C C 46 172.073 172.073 172.396 -0.323 25469 2034 1 4 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.425 0.538 25469 2035 1 4 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.240 -2.898 25469 2036 1 4 . 1 1 46 46 CYS H H 46 8.982 8.982 9.126 -0.144 25469 2037 1 4 . 1 1 47 47 SER N N 47 122.933 122.933 119.387 3.546 25469 2038 1 4 . 1 1 47 47 SER HA H 47 4.908 4.908 4.931 -0.023 25469 2039 1 4 . 1 1 47 47 SER C C 47 171.849 171.849 172.115 -0.266 25469 2040 1 4 . 1 1 47 47 SER CA C 47 56.585 56.585 57.039 -0.454 25469 2041 1 4 . 1 1 47 47 SER CB C 47 65.733 65.733 65.313 0.420 25469 2042 1 4 . 1 1 47 47 SER H H 47 8.569 8.569 8.991 -0.422 25469 2043 1 4 . 1 1 48 48 VAL N N 48 121.588 121.588 122.902 -1.314 25469 2044 1 4 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.243 -0.105 25469 2045 1 4 . 1 1 48 48 VAL C C 48 173.991 173.991 174.087 -0.096 25469 2046 1 4 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.289 1.021 25469 2047 1 4 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.669 -0.745 25469 2048 1 4 . 1 1 48 48 VAL H H 48 8.565 8.565 8.173 0.392 25469 2049 1 4 . 1 1 49 49 HIS N N 49 130.308 130.308 122.768 7.540 25469 2050 1 4 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.778 -0.346 25469 2051 1 4 . 1 1 49 49 HIS C C 49 173.950 173.950 173.378 0.572 25469 2052 1 4 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.421 0.230 25469 2053 1 4 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.910 -1.357 25469 2054 1 4 . 1 1 49 49 HIS H H 49 8.441 8.441 8.772 -0.331 25469 2055 1 4 . 1 1 50 50 LYS N N 50 121.937 121.937 120.603 1.334 25469 2056 1 4 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.932 0.528 25469 2057 1 4 . 1 1 50 50 LYS C C 50 175.528 175.528 177.407 -1.879 25469 2058 1 4 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.587 -0.298 25469 2059 1 4 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.195 -1.717 25469 2060 1 4 . 1 1 50 50 LYS H H 50 7.926 7.926 8.129 -0.203 25469 2061 1 4 . 1 1 51 51 GLY N N 51 114.868 114.868 113.480 1.388 25469 2062 1 4 . 1 1 51 51 GLY C C 51 174.253 174.253 173.040 1.213 25469 2063 1 4 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.010 -0.490 25469 2064 1 4 . 1 1 51 51 GLY H H 51 8.644 8.644 8.518 0.126 25469 2065 1 4 . 1 1 52 52 PHE N N 52 112.790 112.790 115.116 -2.326 25469 2066 1 4 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.621 -0.373 25469 2067 1 4 . 1 1 52 52 PHE C C 52 171.606 171.606 172.887 -1.281 25469 2068 1 4 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.210 1.020 25469 2069 1 4 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.441 -0.396 25469 2070 1 4 . 1 1 52 52 PHE H H 52 7.005 7.005 7.196 -0.191 25469 2071 1 4 . 1 1 53 53 ALA N N 53 119.858 119.858 119.332 0.526 25469 2072 1 4 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.774 0.061 25469 2073 1 4 . 1 1 53 53 ALA C C 53 173.030 173.030 174.550 -1.520 25469 2074 1 4 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.082 -0.736 25469 2075 1 4 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.443 2.290 25469 2076 1 4 . 1 1 53 53 ALA H H 53 8.724 8.724 8.355 0.369 25469 2077 1 4 . 1 1 54 54 PHE N N 54 112.158 112.158 116.384 -4.226 25469 2078 1 4 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.662 -0.082 25469 2079 1 4 . 1 1 54 54 PHE C C 54 175.765 175.765 174.111 1.654 25469 2080 1 4 . 1 1 54 54 PHE CA C 54 56.604 56.604 56.996 -0.392 25469 2081 1 4 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.431 -0.137 25469 2082 1 4 . 1 1 54 54 PHE H H 54 8.764 8.764 9.089 -0.325 25469 2083 1 4 . 1 1 55 55 VAL N N 55 118.628 118.628 121.446 -2.818 25469 2084 1 4 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.521 -0.309 25469 2085 1 4 . 1 1 55 55 VAL C C 55 172.807 172.807 173.692 -0.885 25469 2086 1 4 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.041 0.836 25469 2087 1 4 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.667 -0.714 25469 2088 1 4 . 1 1 55 55 VAL H H 55 8.310 8.310 8.811 -0.501 25469 2089 1 4 . 1 1 56 56 GLN N N 56 128.402 128.402 124.401 4.001 25469 2090 1 4 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.920 -0.355 25469 2091 1 4 . 1 1 56 56 GLN C C 56 173.894 173.894 174.294 -0.400 25469 2092 1 4 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.810 0.403 25469 2093 1 4 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.084 0.022 25469 2094 1 4 . 1 1 56 56 GLN H H 56 9.253 9.253 8.888 0.365 25469 2095 1 4 . 1 1 57 57 TYR N N 57 127.617 127.617 123.644 3.973 25469 2096 1 4 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.372 -0.091 25469 2097 1 4 . 1 1 57 57 TYR C C 57 175.610 175.610 176.774 -1.164 25469 2098 1 4 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.229 2.462 25469 2099 1 4 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.289 -1.220 25469 2100 1 4 . 1 1 57 57 TYR H H 57 8.919 8.919 8.994 -0.075 25469 2101 1 4 . 1 1 58 58 VAL N N 58 116.705 116.705 119.452 -2.747 25469 2102 1 4 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.786 0.327 25469 2103 1 4 . 1 1 58 58 VAL C C 58 175.860 175.860 175.168 0.692 25469 2104 1 4 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.873 -0.844 25469 2105 1 4 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.266 0.783 25469 2106 1 4 . 1 1 58 58 VAL H H 58 9.458 9.458 8.787 0.671 25469 2107 1 4 . 1 1 59 59 ASN N N 59 112.563 112.563 113.028 -0.465 25469 2108 1 4 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.808 0.342 25469 2109 1 4 . 1 1 59 59 ASN C C 59 174.483 174.483 175.240 -0.757 25469 2110 1 4 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.168 -0.216 25469 2111 1 4 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.306 1.871 25469 2112 1 4 . 1 1 59 59 ASN H H 59 7.230 7.230 7.429 -0.199 25469 2113 1 4 . 1 1 60 60 GLU N N 60 124.320 124.320 121.040 3.280 25469 2114 1 4 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.166 0.149 25469 2115 1 4 . 1 1 60 60 GLU C C 60 178.202 178.202 177.855 0.347 25469 2116 1 4 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.499 -0.718 25469 2117 1 4 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.736 0.642 25469 2118 1 4 . 1 1 60 60 GLU H H 60 8.807 8.807 8.935 -0.128 25469 2119 1 4 . 1 1 61 61 ARG N N 61 118.347 118.347 119.025 -0.678 25469 2120 1 4 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.030 -0.040 25469 2121 1 4 . 1 1 61 61 ARG C C 61 179.341 179.341 178.559 0.782 25469 2122 1 4 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.581 0.886 25469 2123 1 4 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.751 -0.350 25469 2124 1 4 . 1 1 61 61 ARG H H 61 8.620 8.620 8.334 0.286 25469 2125 1 4 . 1 1 62 62 ASN N N 62 118.085 118.085 117.155 0.930 25469 2126 1 4 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.313 -0.036 25469 2127 1 4 . 1 1 62 62 ASN C C 62 174.852 174.852 176.477 -1.625 25469 2128 1 4 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.174 0.291 25469 2129 1 4 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.185 0.822 25469 2130 1 4 . 1 1 62 62 ASN H H 62 7.781 7.781 7.962 -0.181 25469 2131 1 4 . 1 1 63 63 ALA N N 63 119.580 119.580 122.672 -3.092 25469 2132 1 4 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.414 -0.666 25469 2133 1 4 . 1 1 63 63 ALA C C 63 178.862 178.862 179.317 -0.455 25469 2134 1 4 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.666 0.295 25469 2135 1 4 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.762 -0.220 25469 2136 1 4 . 1 1 63 63 ALA H H 63 6.775 6.775 7.228 -0.453 25469 2137 1 4 . 1 1 64 64 ARG N N 64 114.991 114.991 117.389 -2.398 25469 2138 1 4 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.135 -0.295 25469 2139 1 4 . 1 1 64 64 ARG C C 64 179.776 179.776 178.447 1.329 25469 2140 1 4 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.458 2.724 25469 2141 1 4 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.644 -0.397 25469 2142 1 4 . 1 1 64 64 ARG H H 64 8.737 8.737 8.546 0.191 25469 2143 1 4 . 1 1 65 65 ALA N N 65 123.698 123.698 121.498 2.200 25469 2144 1 4 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.305 -0.178 25469 2145 1 4 . 1 1 65 65 ALA C C 65 179.561 179.561 178.532 1.029 25469 2146 1 4 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.480 0.468 25469 2147 1 4 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.342 -0.451 25469 2148 1 4 . 1 1 65 65 ALA H H 65 7.820 7.820 7.560 0.260 25469 2149 1 4 . 1 1 66 66 ALA N N 66 123.811 123.811 120.367 3.444 25469 2150 1 4 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.795 -1.728 25469 2151 1 4 . 1 1 66 66 ALA C C 66 179.260 179.260 179.433 -0.173 25469 2152 1 4 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.557 -0.248 25469 2153 1 4 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.019 0.289 25469 2154 1 4 . 1 1 66 66 ALA H H 66 7.538 7.538 7.387 0.151 25469 2155 1 4 . 1 1 67 67 VAL N N 67 116.571 116.571 118.255 -1.684 25469 2156 1 4 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.690 -0.335 25469 2157 1 4 . 1 1 67 67 VAL C C 67 177.744 177.744 177.542 0.202 25469 2158 1 4 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.788 -0.258 25469 2159 1 4 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.665 0.302 25469 2160 1 4 . 1 1 67 67 VAL H H 67 7.612 7.612 8.267 -0.655 25469 2161 1 4 . 1 1 68 68 ALA N N 68 118.239 118.239 120.348 -2.109 25469 2162 1 4 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.336 -0.215 25469 2163 1 4 . 1 1 68 68 ALA C C 68 180.749 180.749 178.161 2.588 25469 2164 1 4 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.537 0.815 25469 2165 1 4 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.619 -0.522 25469 2166 1 4 . 1 1 68 68 ALA H H 68 7.549 7.549 7.532 0.017 25469 2167 1 4 . 1 1 69 69 GLY N N 69 103.748 103.748 105.087 -1.339 25469 2168 1 4 . 1 1 69 69 GLY C C 69 175.627 175.627 174.828 0.799 25469 2169 1 4 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.004 1.082 25469 2170 1 4 . 1 1 69 69 GLY H H 69 8.135 8.135 7.308 0.827 25469 2171 1 4 . 1 1 70 70 GLU N N 70 114.571 114.571 116.544 -1.973 25469 2172 1 4 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.336 0.296 25469 2173 1 4 . 1 1 70 70 GLU C C 70 176.392 176.392 174.929 1.463 25469 2174 1 4 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.958 -0.760 25469 2175 1 4 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.994 -0.622 25469 2176 1 4 . 1 1 70 70 GLU H H 70 7.653 7.653 7.595 0.058 25469 2177 1 4 . 1 1 71 71 ASP N N 71 118.127 118.127 121.240 -3.113 25469 2178 1 4 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.373 -0.088 25469 2179 1 4 . 1 1 71 71 ASP C C 71 178.699 178.699 177.001 1.698 25469 2180 1 4 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.884 1.658 25469 2181 1 4 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.114 1.256 25469 2182 1 4 . 1 1 71 71 ASP H H 71 8.026 8.026 7.563 0.463 25469 2183 1 4 . 1 1 72 72 GLY N N 72 114.353 114.353 113.690 0.663 25469 2184 1 4 . 1 1 72 72 GLY C C 72 173.792 173.792 174.345 -0.553 25469 2185 1 4 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.107 0.652 25469 2186 1 4 . 1 1 72 72 GLY H H 72 8.292 8.292 8.029 0.263 25469 2187 1 4 . 1 1 73 73 ARG N N 73 121.996 121.996 118.784 3.212 25469 2188 1 4 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.438 -0.252 25469 2189 1 4 . 1 1 73 73 ARG C C 73 175.188 175.188 174.721 0.467 25469 2190 1 4 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.894 1.582 25469 2191 1 4 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.237 0.082 25469 2192 1 4 . 1 1 73 73 ARG H H 73 7.981 7.981 7.928 0.053 25469 2193 1 4 . 1 1 74 74 MET N N 74 125.120 125.120 120.542 4.578 25469 2194 1 4 . 1 1 74 74 MET HA H 74 4.795 4.795 4.669 0.126 25469 2195 1 4 . 1 1 74 74 MET C C 74 175.727 175.727 174.826 0.901 25469 2196 1 4 . 1 1 74 74 MET CA C 74 55.054 55.054 54.724 0.330 25469 2197 1 4 . 1 1 74 74 MET CB C 74 33.076 33.076 34.362 -1.286 25469 2198 1 4 . 1 1 74 74 MET H H 74 8.710 8.710 8.340 0.370 25469 2199 1 4 . 1 1 75 75 ILE N N 75 127.530 127.530 125.736 1.794 25469 2200 1 4 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 2201 1 4 . 1 1 75 75 ILE C C 75 175.277 175.277 175.619 -0.342 25469 2202 1 4 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.597 -0.866 25469 2203 1 4 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.380 -0.973 25469 2204 1 4 . 1 1 75 75 ILE H H 75 8.583 8.583 8.781 -0.198 25469 2205 1 4 . 1 1 76 76 ALA N N 76 132.166 132.166 130.140 2.026 25469 2206 1 4 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.991 0.041 25469 2207 1 4 . 1 1 76 76 ALA C C 76 177.206 177.206 177.711 -0.505 25469 2208 1 4 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.254 -0.382 25469 2209 1 4 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.354 -0.106 25469 2210 1 4 . 1 1 76 76 ALA H H 76 9.540 9.540 9.043 0.497 25469 2211 1 4 . 1 1 77 77 GLY N N 77 101.685 101.685 102.815 -1.130 25469 2212 1 4 . 1 1 77 77 GLY C C 77 174.206 174.206 173.890 0.316 25469 2213 1 4 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.871 0.896 25469 2214 1 4 . 1 1 77 77 GLY H H 77 8.446 8.446 8.339 0.107 25469 2215 1 4 . 1 1 78 78 GLN N N 78 118.947 118.947 120.170 -1.223 25469 2216 1 4 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.657 0.074 25469 2217 1 4 . 1 1 78 78 GLN C C 78 174.047 174.047 174.822 -0.775 25469 2218 1 4 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.430 -0.169 25469 2219 1 4 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.666 0.438 25469 2220 1 4 . 1 1 78 78 GLN H H 78 7.708 7.708 8.121 -0.413 25469 2221 1 4 . 1 1 79 79 VAL N N 79 123.383 123.383 126.996 -3.613 25469 2222 1 4 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.441 -0.427 25469 2223 1 4 . 1 1 79 79 VAL C C 79 176.348 176.348 176.345 0.003 25469 2224 1 4 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.656 -0.988 25469 2225 1 4 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.273 -0.143 25469 2226 1 4 . 1 1 79 79 VAL H H 79 8.570 8.570 8.538 0.032 25469 2227 1 4 . 1 1 80 80 LEU N N 80 128.544 128.544 126.468 2.076 25469 2228 1 4 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.668 -0.360 25469 2229 1 4 . 1 1 80 80 LEU C C 80 176.522 176.522 176.231 0.291 25469 2230 1 4 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.447 2.454 25469 2231 1 4 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.850 -0.951 25469 2232 1 4 . 1 1 80 80 LEU H H 80 9.002 9.002 8.472 0.530 25469 2233 1 4 . 1 1 81 81 ASP N N 81 124.135 124.135 121.936 2.199 25469 2234 1 4 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.248 -0.027 25469 2235 1 4 . 1 1 81 81 ASP C C 81 174.660 174.660 174.700 -0.040 25469 2236 1 4 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.005 -0.018 25469 2237 1 4 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.462 0.305 25469 2238 1 4 . 1 1 81 81 ASP H H 81 7.718 7.718 8.325 -0.607 25469 2239 1 4 . 1 1 82 82 ILE N N 82 123.344 123.344 125.480 -2.136 25469 2240 1 4 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.920 0.477 25469 2241 1 4 . 1 1 82 82 ILE C C 82 174.521 174.521 174.043 0.478 25469 2242 1 4 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.963 -0.829 25469 2243 1 4 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.066 -0.099 25469 2244 1 4 . 1 1 82 82 ILE H H 82 9.071 9.071 8.951 0.120 25469 2245 1 4 . 1 1 83 83 ASN N N 83 116.447 116.447 120.280 -3.833 25469 2246 1 4 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.006 -0.164 25469 2247 1 4 . 1 1 83 83 ASN C C 83 174.566 174.566 173.481 1.085 25469 2248 1 4 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.895 1.233 25469 2249 1 4 . 1 1 83 83 ASN CB C 83 43.074 43.074 41.219 1.855 25469 2250 1 4 . 1 1 83 83 ASN H H 83 8.494 8.494 8.735 -0.241 25469 2251 1 4 . 1 1 84 84 LEU N N 84 123.786 123.786 121.569 2.217 25469 2252 1 4 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.307 0.413 25469 2253 1 4 . 1 1 84 84 LEU C C 84 180.969 180.969 178.409 2.560 25469 2254 1 4 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.883 0.474 25469 2255 1 4 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.116 -0.797 25469 2256 1 4 . 1 1 84 84 LEU H H 84 9.414 9.414 8.913 0.501 25469 2257 1 4 . 1 1 85 85 ALA N N 85 127.577 127.577 128.806 -1.229 25469 2258 1 4 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.268 -0.220 25469 2259 1 4 . 1 1 85 85 ALA C C 85 177.932 177.932 176.637 1.295 25469 2260 1 4 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.410 1.939 25469 2261 1 4 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.017 -1.030 25469 2262 1 4 . 1 1 85 85 ALA H H 85 9.279 9.279 8.308 0.971 25469 2263 1 4 . 1 1 86 86 ALA N N 86 116.071 116.071 116.360 -0.289 25469 2264 1 4 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.412 -0.001 25469 2265 1 4 . 1 1 86 86 ALA C C 86 176.153 176.153 176.490 -0.337 25469 2266 1 4 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.007 -0.278 25469 2267 1 4 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.750 -0.440 25469 2268 1 4 . 1 1 86 86 ALA H H 86 8.687 8.687 8.026 0.661 25469 2269 1 4 . 1 1 87 87 GLU N N 87 118.959 118.959 119.373 -0.414 25469 2270 1 4 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.734 0.002 25469 2271 1 4 . 1 1 87 87 GLU C C 87 171.677 171.677 173.836 -2.159 25469 2272 1 4 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.262 -0.090 25469 2273 1 4 . 1 1 87 87 GLU CB C 87 29.973 29.973 29.971 0.002 25469 2274 1 4 . 1 1 87 87 GLU H H 87 7.901 7.901 8.035 -0.134 25469 2275 1 4 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.495 -0.152 25469 2276 1 4 . 1 1 88 88 PRO C C 88 177.303 177.303 176.911 0.392 25469 2277 1 4 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.042 -0.124 25469 2278 1 4 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.312 -0.414 25469 2279 1 4 . 1 1 89 89 LYS N N 89 121.298 121.298 124.242 -2.944 25469 2280 1 4 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.251 -0.024 25469 2281 1 4 . 1 1 89 89 LYS C C 89 177.690 177.690 176.969 0.721 25469 2282 1 4 . 1 1 89 89 LYS CA C 89 56.802 56.802 57.106 -0.304 25469 2283 1 4 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.328 1.176 25469 2284 1 4 . 1 1 89 89 LYS H H 89 7.973 7.973 8.536 -0.563 25469 2285 1 4 . 1 1 90 90 VAL N N 90 120.788 120.788 114.536 6.252 25469 2286 1 4 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.151 -0.222 25469 2287 1 4 . 1 1 90 90 VAL C C 90 176.170 176.170 175.570 0.600 25469 2288 1 4 . 1 1 90 90 VAL CA C 90 63.217 63.217 63.377 -0.160 25469 2289 1 4 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.345 -0.999 25469 2290 1 4 . 1 1 90 90 VAL H H 90 8.216 8.216 8.249 -0.033 25469 2291 1 4 . 1 1 91 91 ASN N N 91 119.438 119.438 118.254 1.184 25469 2292 1 4 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.606 0.053 25469 2293 1 4 . 1 1 91 91 ASN C C 91 175.173 175.173 175.222 -0.049 25469 2294 1 4 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.788 -0.751 25469 2295 1 4 . 1 1 91 91 ASN CB C 91 38.167 38.167 39.003 -0.836 25469 2296 1 4 . 1 1 91 91 ASN H H 91 8.451 8.451 8.334 0.117 25469 2297 1 4 . 1 1 92 92 ARG N N 92 120.958 120.958 121.669 -0.711 25469 2298 1 4 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.168 0.069 25469 2299 1 4 . 1 1 92 92 ARG C C 92 177.002 177.002 176.154 0.848 25469 2300 1 4 . 1 1 92 92 ARG CA C 92 56.644 56.644 57.311 -0.667 25469 2301 1 4 . 1 1 92 92 ARG CB C 92 30.526 30.526 29.329 1.197 25469 2302 1 4 . 1 1 92 92 ARG H H 92 7.978 7.978 7.866 0.112 25469 2303 1 4 . 1 1 93 93 GLY N N 93 110.275 110.275 113.880 -3.605 25469 2304 1 4 . 1 1 93 93 GLY C C 93 174.246 174.246 174.186 0.060 25469 2305 1 4 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.284 0.100 25469 2306 1 4 . 1 1 93 93 GLY H H 93 8.604 8.604 8.219 0.385 25469 2307 1 4 . 1 1 94 94 LYS N N 94 120.750 120.750 119.046 1.704 25469 2308 1 4 . 1 1 94 94 LYS HA H 94 4.297 4.297 3.968 0.329 25469 2309 1 4 . 1 1 94 94 LYS C C 94 176.525 176.525 174.873 1.652 25469 2310 1 4 . 1 1 94 94 LYS CA C 94 56.044 56.044 57.693 -1.649 25469 2311 1 4 . 1 1 94 94 LYS CB C 94 33.025 33.025 32.256 0.769 25469 2312 1 4 . 1 1 94 94 LYS H H 94 8.113 8.113 8.734 -0.621 25469 2313 1 4 . 1 1 95 95 ALA N N 95 124.912 124.912 118.248 6.664 25469 2314 1 4 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.585 -0.286 25469 2315 1 4 . 1 1 95 95 ALA C C 95 178.325 178.325 175.846 2.479 25469 2316 1 4 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.539 1.213 25469 2317 1 4 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.415 -2.275 25469 2318 1 4 . 1 1 95 95 ALA H H 95 8.367 8.367 7.534 0.833 25469 2319 1 4 . 1 1 96 96 GLY N N 96 108.328 108.328 106.221 2.107 25469 2320 1 4 . 1 1 96 96 GLY C C 96 174.096 174.096 174.822 -0.726 25469 2321 1 4 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.324 -0.083 25469 2322 1 4 . 1 1 96 96 GLY H H 96 8.390 8.390 8.436 -0.046 25469 2323 1 4 . 1 1 97 97 VAL N N 97 119.774 119.774 120.864 -1.090 25469 2324 1 4 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.117 -0.040 25469 2325 1 4 . 1 1 97 97 VAL C C 97 176.156 176.156 175.618 0.538 25469 2326 1 4 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.383 -0.084 25469 2327 1 4 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.772 0.082 25469 2328 1 4 . 1 1 97 97 VAL H H 97 7.925 7.925 7.471 0.454 25469 2329 1 4 . 1 1 98 98 LYS N N 98 126.024 126.024 124.023 2.001 25469 2330 1 4 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.590 -0.264 25469 2331 1 4 . 1 1 98 98 LYS C C 98 176.427 176.427 176.237 0.190 25469 2332 1 4 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.520 0.581 25469 2333 1 4 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.537 0.524 25469 2334 1 4 . 1 1 98 98 LYS H H 98 8.473 8.473 8.437 0.036 25469 2335 1 4 . 1 1 99 99 ARG N N 99 123.644 123.644 119.882 3.762 25469 2336 1 4 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.497 -0.118 25469 2337 1 4 . 1 1 99 99 ARG C C 99 176.231 176.231 176.725 -0.494 25469 2338 1 4 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.335 0.597 25469 2339 1 4 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.775 -0.508 25469 2340 1 4 . 1 1 99 99 ARG H H 99 8.464 8.464 7.612 0.852 25469 2341 1 4 . 1 1 100 100 SER N N 100 117.863 117.863 118.046 -0.183 25469 2342 1 4 . 1 1 100 100 SER HA H 100 4.449 4.449 4.319 0.130 25469 2343 1 4 . 1 1 100 100 SER C C 100 174.556 174.556 174.716 -0.160 25469 2344 1 4 . 1 1 100 100 SER CA C 100 57.985 57.985 59.264 -1.279 25469 2345 1 4 . 1 1 100 100 SER CB C 100 64.167 64.167 63.282 0.885 25469 2346 1 4 . 1 1 100 100 SER H H 100 8.516 8.516 8.534 -0.018 25469 2347 1 4 . 1 1 101 101 ALA N N 101 126.048 126.048 121.168 4.880 25469 2348 1 4 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.021 0.236 25469 2349 1 4 . 1 1 101 101 ALA C C 101 178.047 178.047 176.442 1.605 25469 2350 1 4 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.492 -0.144 25469 2351 1 4 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.113 0.832 25469 2352 1 4 . 1 1 101 101 ALA H H 101 8.538 8.538 8.023 0.515 25469 2353 1 4 . 1 1 102 102 ALA N N 102 121.566 121.566 119.323 2.243 25469 2354 1 4 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.452 -0.227 25469 2355 1 4 . 1 1 102 102 ALA C C 102 178.254 178.254 178.117 0.137 25469 2356 1 4 . 1 1 102 102 ALA CA C 102 53.045 53.045 51.988 1.057 25469 2357 1 4 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.554 -0.511 25469 2358 1 4 . 1 1 102 102 ALA H H 102 8.212 8.212 8.051 0.161 25469 2359 1 4 . 1 1 103 103 GLU N N 103 118.735 118.735 118.933 -0.198 25469 2360 1 4 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.136 0.065 25469 2361 1 4 . 1 1 103 103 GLU C C 103 176.516 176.516 176.941 -0.425 25469 2362 1 4 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.194 -1.538 25469 2363 1 4 . 1 1 103 103 GLU CB C 103 30.227 30.227 28.802 1.425 25469 2364 1 4 . 1 1 103 103 GLU H H 103 8.071 8.071 8.784 -0.713 25469 2365 1 4 . 1 1 104 104 MET N N 104 120.106 120.106 111.988 8.118 25469 2366 1 4 . 1 1 104 104 MET HA H 104 4.326 4.326 4.612 -0.286 25469 2367 1 4 . 1 1 104 104 MET C C 104 175.862 175.862 175.008 0.854 25469 2368 1 4 . 1 1 104 104 MET CA C 104 55.939 55.939 54.944 0.995 25469 2369 1 4 . 1 1 104 104 MET CB C 104 32.999 32.999 33.676 -0.677 25469 2370 1 4 . 1 1 104 104 MET H H 104 8.073 8.073 7.559 0.514 25469 2371 1 4 . 1 1 105 105 TYR N N 105 120.285 120.285 119.125 1.160 25469 2372 1 4 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.805 -0.152 25469 2373 1 4 . 1 1 105 105 TYR C C 105 175.319 175.319 176.820 -1.501 25469 2374 1 4 . 1 1 105 105 TYR CA C 105 57.595 57.595 56.836 0.759 25469 2375 1 4 . 1 1 105 105 TYR CB C 105 38.939 38.939 38.748 0.191 25469 2376 1 4 . 1 1 105 105 TYR H H 105 8.126 8.126 7.488 0.638 25469 2377 1 5 . 1 1 3 3 SER HA H 3 4.553 4.553 4.524 0.029 25469 2378 1 5 . 1 1 3 3 SER C C 3 173.408 173.408 175.780 -2.372 25469 2379 1 5 . 1 1 3 3 SER CA C 3 58.273 58.273 56.346 1.927 25469 2380 1 5 . 1 1 3 3 SER CB C 3 63.940 63.940 64.662 -0.722 25469 2381 1 5 . 1 1 4 4 ASN N N 4 120.235 120.235 120.455 -0.220 25469 2382 1 5 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.924 0.293 25469 2383 1 5 . 1 1 4 4 ASN C C 4 176.243 176.243 174.816 1.427 25469 2384 1 5 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.283 -0.239 25469 2385 1 5 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.729 0.003 25469 2386 1 5 . 1 1 4 4 ASN H H 4 8.774 8.774 8.637 0.137 25469 2387 1 5 . 1 1 5 5 VAL N N 5 122.554 122.554 121.855 0.699 25469 2388 1 5 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.202 -0.433 25469 2389 1 5 . 1 1 5 5 VAL C C 5 177.223 177.223 175.451 1.772 25469 2390 1 5 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.454 3.357 25469 2391 1 5 . 1 1 5 5 VAL CB C 5 30.874 30.874 33.160 -2.286 25469 2392 1 5 . 1 1 5 5 VAL H H 5 8.315 8.315 7.368 0.947 25469 2393 1 5 . 1 1 6 6 THR N N 6 118.503 118.503 115.327 3.176 25469 2394 1 5 . 1 1 6 6 THR HA H 6 4.678 4.678 4.412 0.266 25469 2395 1 5 . 1 1 6 6 THR C C 6 174.350 174.350 173.288 1.062 25469 2396 1 5 . 1 1 6 6 THR CA C 6 60.560 60.560 61.362 -0.802 25469 2397 1 5 . 1 1 6 6 THR CB C 6 69.833 69.833 69.948 -0.115 25469 2398 1 5 . 1 1 6 6 THR H H 6 9.394 9.394 8.356 1.038 25469 2399 1 5 . 1 1 7 7 ASN N N 7 120.872 120.872 120.120 0.752 25469 2400 1 5 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.618 -0.062 25469 2401 1 5 . 1 1 7 7 ASN C C 7 176.866 176.866 173.868 2.998 25469 2402 1 5 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.966 -1.069 25469 2403 1 5 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.572 -0.490 25469 2404 1 5 . 1 1 7 7 ASN H H 7 7.976 7.976 7.976 -0.000 25469 2405 1 5 . 1 1 8 8 LYS N N 8 121.728 121.728 123.687 -1.959 25469 2406 1 5 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.675 -0.419 25469 2407 1 5 . 1 1 8 8 LYS C C 8 180.142 180.142 175.563 4.579 25469 2408 1 5 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.526 2.674 25469 2409 1 5 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.438 -3.146 25469 2410 1 5 . 1 1 8 8 LYS H H 8 8.572 8.572 7.831 0.741 25469 2411 1 5 . 1 1 9 9 THR N N 9 110.858 110.858 111.820 -0.962 25469 2412 1 5 . 1 1 9 9 THR HA H 9 4.463 4.463 4.409 0.054 25469 2413 1 5 . 1 1 9 9 THR C C 9 174.485 174.485 173.752 0.733 25469 2414 1 5 . 1 1 9 9 THR CA C 9 61.246 61.246 61.073 0.173 25469 2415 1 5 . 1 1 9 9 THR CB C 9 69.039 69.039 69.111 -0.072 25469 2416 1 5 . 1 1 9 9 THR H H 9 8.691 8.691 8.604 0.087 25469 2417 1 5 . 1 1 10 10 ASP N N 10 121.014 121.014 123.642 -2.628 25469 2418 1 5 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.733 0.092 25469 2419 1 5 . 1 1 10 10 ASP C C 10 173.946 173.946 176.800 -2.854 25469 2420 1 5 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.399 -0.835 25469 2421 1 5 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.300 -1.699 25469 2422 1 5 . 1 1 10 10 ASP H H 10 7.907 7.907 7.917 -0.010 25469 2423 1 5 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.346 -0.191 25469 2424 1 5 . 1 1 11 11 PRO C C 11 178.421 178.421 176.615 1.806 25469 2425 1 5 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.685 1.556 25469 2426 1 5 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.113 0.085 25469 2427 1 5 . 1 1 12 12 ARG N N 12 116.361 116.361 116.577 -0.216 25469 2428 1 5 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.545 -0.453 25469 2429 1 5 . 1 1 12 12 ARG C C 12 180.446 180.446 177.019 3.427 25469 2430 1 5 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.453 2.082 25469 2431 1 5 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.471 -2.221 25469 2432 1 5 . 1 1 12 12 ARG H H 12 7.940 7.940 8.192 -0.252 25469 2433 1 5 . 1 1 13 13 SER N N 13 119.379 119.379 116.374 3.005 25469 2434 1 5 . 1 1 13 13 SER HA H 13 4.052 4.052 4.506 -0.454 25469 2435 1 5 . 1 1 13 13 SER C C 13 178.762 178.762 175.480 3.282 25469 2436 1 5 . 1 1 13 13 SER CA C 13 61.529 61.529 60.932 0.597 25469 2437 1 5 . 1 1 13 13 SER CB C 13 61.778 61.778 63.642 -1.865 25469 2438 1 5 . 1 1 13 13 SER H H 13 8.143 8.143 8.174 -0.031 25469 2439 1 5 . 1 1 14 14 MET N N 14 120.327 120.327 114.953 5.374 25469 2440 1 5 . 1 1 14 14 MET HA H 14 4.097 4.097 4.472 -0.375 25469 2441 1 5 . 1 1 14 14 MET C C 14 178.576 178.576 174.982 3.594 25469 2442 1 5 . 1 1 14 14 MET CA C 14 58.293 58.293 56.944 1.349 25469 2443 1 5 . 1 1 14 14 MET CB C 14 31.813 31.813 32.918 -1.105 25469 2444 1 5 . 1 1 14 14 MET H H 14 8.238 8.238 7.727 0.511 25469 2445 1 5 . 1 1 15 15 ASN N N 15 115.378 115.378 116.368 -0.990 25469 2446 1 5 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.923 -0.298 25469 2447 1 5 . 1 1 15 15 ASN C C 15 172.556 172.556 176.873 -4.317 25469 2448 1 5 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.133 -0.104 25469 2449 1 5 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.211 -2.561 25469 2450 1 5 . 1 1 15 15 ASN H H 15 7.968 7.968 7.504 0.464 25469 2451 1 5 . 1 1 16 16 SER N N 16 106.215 106.215 115.609 -9.394 25469 2452 1 5 . 1 1 16 16 SER HA H 16 4.495 4.495 4.521 -0.026 25469 2453 1 5 . 1 1 16 16 SER C C 16 172.121 172.121 173.988 -1.867 25469 2454 1 5 . 1 1 16 16 SER CA C 16 56.785 56.785 59.352 -2.567 25469 2455 1 5 . 1 1 16 16 SER CB C 16 63.428 63.428 63.739 -0.311 25469 2456 1 5 . 1 1 16 16 SER H H 16 7.253 7.253 7.983 -0.730 25469 2457 1 5 . 1 1 17 17 ARG N N 17 123.348 123.348 122.554 0.794 25469 2458 1 5 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.229 0.363 25469 2459 1 5 . 1 1 17 17 ARG C C 17 174.491 174.491 174.832 -0.341 25469 2460 1 5 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.826 -1.447 25469 2461 1 5 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.066 -0.157 25469 2462 1 5 . 1 1 17 17 ARG H H 17 7.405 7.405 7.634 -0.229 25469 2463 1 5 . 1 1 18 18 VAL N N 18 122.328 122.328 123.592 -1.264 25469 2464 1 5 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.611 0.098 25469 2465 1 5 . 1 1 18 18 VAL C C 18 174.863 174.863 174.305 0.558 25469 2466 1 5 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.652 -0.995 25469 2467 1 5 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.887 -0.585 25469 2468 1 5 . 1 1 18 18 VAL H H 18 9.260 9.260 9.066 0.194 25469 2469 1 5 . 1 1 19 19 PHE N N 19 126.010 126.010 128.831 -2.821 25469 2470 1 5 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.328 0.138 25469 2471 1 5 . 1 1 19 19 PHE C C 19 171.967 171.967 173.701 -1.734 25469 2472 1 5 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.238 1.871 25469 2473 1 5 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.354 -0.331 25469 2474 1 5 . 1 1 19 19 PHE H H 19 9.159 9.159 9.254 -0.095 25469 2475 1 5 . 1 1 20 20 ILE N N 20 126.422 126.422 127.498 -1.076 25469 2476 1 5 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.102 -0.241 25469 2477 1 5 . 1 1 20 20 ILE C C 20 173.050 173.050 174.492 -1.442 25469 2478 1 5 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.940 -0.592 25469 2479 1 5 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.009 1.191 25469 2480 1 5 . 1 1 20 20 ILE H H 20 7.716 7.716 8.392 -0.676 25469 2481 1 5 . 1 1 21 21 GLY N N 21 113.182 113.182 111.625 1.557 25469 2482 1 5 . 1 1 21 21 GLY C C 21 173.769 173.769 173.877 -0.108 25469 2483 1 5 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.153 0.707 25469 2484 1 5 . 1 1 21 21 GLY H H 21 8.550 8.550 7.951 0.599 25469 2485 1 5 . 1 1 22 22 ASN N N 22 116.072 116.072 115.485 0.587 25469 2486 1 5 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.346 0.001 25469 2487 1 5 . 1 1 22 22 ASN C C 22 174.205 174.205 173.895 0.310 25469 2488 1 5 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.716 -0.283 25469 2489 1 5 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.720 1.106 25469 2490 1 5 . 1 1 22 22 ASN H H 22 7.291 7.291 8.632 -1.341 25469 2491 1 5 . 1 1 23 23 LEU N N 23 118.873 118.873 118.835 0.038 25469 2492 1 5 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.676 -0.748 25469 2493 1 5 . 1 1 23 23 LEU C C 23 176.551 176.551 176.208 0.343 25469 2494 1 5 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.405 -0.740 25469 2495 1 5 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.329 0.020 25469 2496 1 5 . 1 1 23 23 LEU H H 23 7.279 7.279 7.928 -0.649 25469 2497 1 5 . 1 1 24 24 ASN N N 24 124.260 124.260 123.474 0.786 25469 2498 1 5 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.473 0.286 25469 2499 1 5 . 1 1 24 24 ASN C C 24 175.831 175.831 175.726 0.105 25469 2500 1 5 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.525 -3.885 25469 2501 1 5 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.481 -2.926 25469 2502 1 5 . 1 1 24 24 ASN H H 24 9.075 9.075 8.804 0.271 25469 2503 1 5 . 1 1 25 25 THR N N 25 118.101 118.101 106.956 11.145 25469 2504 1 5 . 1 1 25 25 THR HA H 25 4.377 4.377 4.097 0.280 25469 2505 1 5 . 1 1 25 25 THR C C 25 175.286 175.286 174.265 1.021 25469 2506 1 5 . 1 1 25 25 THR CA C 25 63.324 63.324 63.831 -0.507 25469 2507 1 5 . 1 1 25 25 THR CB C 25 67.439 67.439 67.314 0.126 25469 2508 1 5 . 1 1 25 25 THR H H 25 8.226 8.226 8.064 0.162 25469 2509 1 5 . 1 1 26 26 LEU N N 26 121.285 121.285 118.436 2.849 25469 2510 1 5 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.326 -0.015 25469 2511 1 5 . 1 1 26 26 LEU C C 26 178.244 178.244 177.510 0.734 25469 2512 1 5 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.205 1.109 25469 2513 1 5 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.133 -0.805 25469 2514 1 5 . 1 1 26 26 LEU H H 26 7.670 7.670 7.618 0.052 25469 2515 1 5 . 1 1 27 27 VAL N N 27 114.562 114.562 115.765 -1.203 25469 2516 1 5 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.138 -0.091 25469 2517 1 5 . 1 1 27 27 VAL C C 27 175.200 175.200 175.898 -0.698 25469 2518 1 5 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.904 0.126 25469 2519 1 5 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.029 2.153 25469 2520 1 5 . 1 1 27 27 VAL H H 27 6.790 6.790 7.489 -0.699 25469 2521 1 5 . 1 1 28 28 VAL N N 28 121.996 121.996 119.731 2.265 25469 2522 1 5 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.130 -0.271 25469 2523 1 5 . 1 1 28 28 VAL C C 28 174.352 174.352 174.601 -0.249 25469 2524 1 5 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.830 1.362 25469 2525 1 5 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.717 -0.776 25469 2526 1 5 . 1 1 28 28 VAL H H 28 8.276 8.276 7.746 0.530 25469 2527 1 5 . 1 1 29 29 LYS N N 29 124.228 124.228 123.810 0.418 25469 2528 1 5 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.676 -0.074 25469 2529 1 5 . 1 1 29 29 LYS C C 29 177.959 177.959 176.801 1.158 25469 2530 1 5 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.756 -1.110 25469 2531 1 5 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.887 -1.492 25469 2532 1 5 . 1 1 29 29 LYS H H 29 8.925 8.925 7.931 0.994 25469 2533 1 5 . 1 1 30 30 LYS N N 30 123.350 123.350 120.792 2.558 25469 2534 1 5 . 1 1 30 30 LYS HA H 30 3.654 3.654 3.983 -0.329 25469 2535 1 5 . 1 1 30 30 LYS C C 30 177.639 177.639 176.730 0.909 25469 2536 1 5 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.071 2.329 25469 2537 1 5 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.841 0.808 25469 2538 1 5 . 1 1 30 30 LYS H H 30 8.993 8.993 8.762 0.231 25469 2539 1 5 . 1 1 31 31 SER N N 31 111.465 111.465 113.318 -1.853 25469 2540 1 5 . 1 1 31 31 SER HA H 31 4.167 4.167 4.727 -0.560 25469 2541 1 5 . 1 1 31 31 SER C C 31 177.617 177.617 174.356 3.261 25469 2542 1 5 . 1 1 31 31 SER CA C 31 61.389 61.389 59.584 1.805 25469 2543 1 5 . 1 1 31 31 SER CB C 31 61.533 61.533 63.217 -1.684 25469 2544 1 5 . 1 1 31 31 SER H H 31 8.669 8.669 8.123 0.546 25469 2545 1 5 . 1 1 32 32 ASP N N 32 122.187 122.187 121.660 0.527 25469 2546 1 5 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.812 -0.292 25469 2547 1 5 . 1 1 32 32 ASP C C 32 178.194 178.194 178.547 -0.353 25469 2548 1 5 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.849 1.339 25469 2549 1 5 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.645 -0.798 25469 2550 1 5 . 1 1 32 32 ASP H H 32 7.141 7.141 8.048 -0.907 25469 2551 1 5 . 1 1 33 33 VAL N N 33 120.138 120.138 120.337 -0.199 25469 2552 1 5 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.943 -0.482 25469 2553 1 5 . 1 1 33 33 VAL C C 33 178.624 178.624 176.657 1.967 25469 2554 1 5 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.891 0.483 25469 2555 1 5 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.704 -0.419 25469 2556 1 5 . 1 1 33 33 VAL H H 33 7.956 7.956 8.210 -0.254 25469 2557 1 5 . 1 1 34 34 GLU N N 34 118.717 118.717 116.469 2.248 25469 2558 1 5 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.219 -0.465 25469 2559 1 5 . 1 1 34 34 GLU C C 34 178.701 178.701 176.006 2.695 25469 2560 1 5 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.574 2.932 25469 2561 1 5 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.825 0.519 25469 2562 1 5 . 1 1 34 34 GLU H H 34 8.637 8.637 8.566 0.071 25469 2563 1 5 . 1 1 35 35 ALA N N 35 121.541 121.541 120.067 1.474 25469 2564 1 5 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.584 -0.435 25469 2565 1 5 . 1 1 35 35 ALA C C 35 180.483 180.483 177.303 3.180 25469 2566 1 5 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.702 2.814 25469 2567 1 5 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.302 -2.255 25469 2568 1 5 . 1 1 35 35 ALA H H 35 7.823 7.823 7.988 -0.165 25469 2569 1 5 . 1 1 36 36 ILE N N 36 117.449 117.449 117.167 0.282 25469 2570 1 5 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.060 -0.397 25469 2571 1 5 . 1 1 36 36 ILE C C 36 178.665 178.665 175.934 2.731 25469 2572 1 5 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.811 2.000 25469 2573 1 5 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.627 0.163 25469 2574 1 5 . 1 1 36 36 ILE H H 36 7.773 7.773 7.540 0.233 25469 2575 1 5 . 1 1 37 37 PHE N N 37 113.524 113.524 117.201 -3.677 25469 2576 1 5 . 1 1 37 37 PHE HA H 37 4.358 4.358 5.003 -0.645 25469 2577 1 5 . 1 1 37 37 PHE C C 37 179.593 179.593 177.511 2.082 25469 2578 1 5 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.519 3.161 25469 2579 1 5 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.551 -3.341 25469 2580 1 5 . 1 1 37 37 PHE H H 37 8.566 8.566 8.314 0.252 25469 2581 1 5 . 1 1 38 38 SER N N 38 122.025 122.025 115.267 6.758 25469 2582 1 5 . 1 1 38 38 SER HA H 38 4.821 4.821 4.695 0.126 25469 2583 1 5 . 1 1 38 38 SER C C 38 175.439 175.439 175.487 -0.048 25469 2584 1 5 . 1 1 38 38 SER CA C 38 61.519 61.519 60.172 1.347 25469 2585 1 5 . 1 1 38 38 SER CB C 38 62.765 62.765 63.546 -0.781 25469 2586 1 5 . 1 1 38 38 SER H H 38 8.834 8.834 8.499 0.335 25469 2587 1 5 . 1 1 39 39 LYS N N 39 119.387 119.387 118.318 1.069 25469 2588 1 5 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.095 -0.134 25469 2589 1 5 . 1 1 39 39 LYS C C 39 177.064 177.064 176.168 0.896 25469 2590 1 5 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.323 0.956 25469 2591 1 5 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.614 -0.028 25469 2592 1 5 . 1 1 39 39 LYS H H 39 7.054 7.054 7.947 -0.893 25469 2593 1 5 . 1 1 40 40 TYR N N 40 114.433 114.433 118.258 -3.825 25469 2594 1 5 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.565 -0.288 25469 2595 1 5 . 1 1 40 40 TYR C C 40 174.842 174.842 174.624 0.218 25469 2596 1 5 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.423 0.426 25469 2597 1 5 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.401 -1.974 25469 2598 1 5 . 1 1 40 40 TYR H H 40 6.956 6.956 7.436 -0.480 25469 2599 1 5 . 1 1 41 41 GLY N N 41 106.514 106.514 104.812 1.702 25469 2600 1 5 . 1 1 41 41 GLY C C 41 170.573 170.573 171.799 -1.226 25469 2601 1 5 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.925 -0.369 25469 2602 1 5 . 1 1 41 41 GLY H H 41 7.428 7.428 7.361 0.067 25469 2603 1 5 . 1 1 42 42 LYS N N 42 117.788 117.788 121.569 -3.781 25469 2604 1 5 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.413 -0.216 25469 2605 1 5 . 1 1 42 42 LYS C C 42 176.536 176.536 175.981 0.555 25469 2606 1 5 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.498 0.638 25469 2607 1 5 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.968 -0.001 25469 2608 1 5 . 1 1 42 42 LYS H H 42 8.034 8.034 8.468 -0.434 25469 2609 1 5 . 1 1 43 43 ILE N N 43 127.104 127.104 127.160 -0.056 25469 2610 1 5 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.467 -0.443 25469 2611 1 5 . 1 1 43 43 ILE C C 43 176.993 176.993 176.607 0.386 25469 2612 1 5 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.730 -0.350 25469 2613 1 5 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.708 0.205 25469 2614 1 5 . 1 1 43 43 ILE H H 43 8.711 8.711 8.650 0.061 25469 2615 1 5 . 1 1 44 44 VAL N N 44 121.993 121.993 120.923 1.070 25469 2616 1 5 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.511 -0.147 25469 2617 1 5 . 1 1 44 44 VAL C C 44 176.853 176.853 175.347 1.506 25469 2618 1 5 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.879 0.980 25469 2619 1 5 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.339 -0.787 25469 2620 1 5 . 1 1 44 44 VAL H H 44 8.711 8.711 8.798 -0.087 25469 2621 1 5 . 1 1 45 45 GLY N N 45 109.507 109.507 107.587 1.920 25469 2622 1 5 . 1 1 45 45 GLY C C 45 171.266 171.266 172.101 -0.835 25469 2623 1 5 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.727 -0.718 25469 2624 1 5 . 1 1 45 45 GLY H H 45 7.530 7.530 7.514 0.016 25469 2625 1 5 . 1 1 46 46 CYS N N 46 124.546 124.546 118.279 6.267 25469 2626 1 5 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.573 -0.542 25469 2627 1 5 . 1 1 46 46 CYS C C 46 172.073 172.073 172.464 -0.391 25469 2628 1 5 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.276 1.687 25469 2629 1 5 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.501 -3.159 25469 2630 1 5 . 1 1 46 46 CYS H H 46 8.982 8.982 9.208 -0.226 25469 2631 1 5 . 1 1 47 47 SER N N 47 122.933 122.933 115.427 7.506 25469 2632 1 5 . 1 1 47 47 SER HA H 47 4.908 4.908 4.757 0.151 25469 2633 1 5 . 1 1 47 47 SER C C 47 171.849 171.849 172.298 -0.449 25469 2634 1 5 . 1 1 47 47 SER CA C 47 56.585 56.585 57.536 -0.951 25469 2635 1 5 . 1 1 47 47 SER CB C 47 65.733 65.733 65.916 -0.183 25469 2636 1 5 . 1 1 47 47 SER H H 47 8.569 8.569 9.115 -0.546 25469 2637 1 5 . 1 1 48 48 VAL N N 48 121.588 121.588 121.542 0.046 25469 2638 1 5 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.296 -0.158 25469 2639 1 5 . 1 1 48 48 VAL C C 48 173.991 173.991 175.245 -1.254 25469 2640 1 5 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.059 1.250 25469 2641 1 5 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.732 -0.808 25469 2642 1 5 . 1 1 48 48 VAL H H 48 8.565 8.565 8.338 0.227 25469 2643 1 5 . 1 1 49 49 HIS N N 49 130.308 130.308 124.403 5.905 25469 2644 1 5 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.686 -0.254 25469 2645 1 5 . 1 1 49 49 HIS C C 49 173.950 173.950 173.860 0.090 25469 2646 1 5 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.114 0.537 25469 2647 1 5 . 1 1 49 49 HIS CB C 49 31.553 31.553 31.864 -0.311 25469 2648 1 5 . 1 1 49 49 HIS H H 49 8.441 8.441 8.880 -0.439 25469 2649 1 5 . 1 1 50 50 LYS N N 50 121.937 121.937 120.034 1.903 25469 2650 1 5 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.984 0.476 25469 2651 1 5 . 1 1 50 50 LYS C C 50 175.528 175.528 177.066 -1.538 25469 2652 1 5 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.802 -0.513 25469 2653 1 5 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.249 -1.771 25469 2654 1 5 . 1 1 50 50 LYS H H 50 7.926 7.926 8.220 -0.294 25469 2655 1 5 . 1 1 51 51 GLY N N 51 114.868 114.868 111.602 3.266 25469 2656 1 5 . 1 1 51 51 GLY C C 51 174.253 174.253 173.164 1.089 25469 2657 1 5 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.113 -0.593 25469 2658 1 5 . 1 1 51 51 GLY H H 51 8.644 8.644 8.623 0.021 25469 2659 1 5 . 1 1 52 52 PHE N N 52 112.790 112.790 115.162 -2.372 25469 2660 1 5 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.644 -0.396 25469 2661 1 5 . 1 1 52 52 PHE C C 52 171.606 171.606 172.918 -1.312 25469 2662 1 5 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.321 0.909 25469 2663 1 5 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.486 -0.441 25469 2664 1 5 . 1 1 52 52 PHE H H 52 7.005 7.005 7.205 -0.200 25469 2665 1 5 . 1 1 53 53 ALA N N 53 119.858 119.858 119.263 0.595 25469 2666 1 5 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.915 -0.080 25469 2667 1 5 . 1 1 53 53 ALA C C 53 173.030 173.030 174.616 -1.586 25469 2668 1 5 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.102 -0.756 25469 2669 1 5 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.479 2.254 25469 2670 1 5 . 1 1 53 53 ALA H H 53 8.724 8.724 8.422 0.302 25469 2671 1 5 . 1 1 54 54 PHE N N 54 112.158 112.158 116.162 -4.004 25469 2672 1 5 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.669 -0.089 25469 2673 1 5 . 1 1 54 54 PHE C C 54 175.765 175.765 174.139 1.626 25469 2674 1 5 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.098 -0.494 25469 2675 1 5 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.544 -0.250 25469 2676 1 5 . 1 1 54 54 PHE H H 54 8.764 8.764 9.072 -0.308 25469 2677 1 5 . 1 1 55 55 VAL N N 55 118.628 118.628 120.693 -2.065 25469 2678 1 5 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.522 -0.310 25469 2679 1 5 . 1 1 55 55 VAL C C 55 172.807 172.807 173.665 -0.858 25469 2680 1 5 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.091 0.786 25469 2681 1 5 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.877 -0.924 25469 2682 1 5 . 1 1 55 55 VAL H H 55 8.310 8.310 8.940 -0.630 25469 2683 1 5 . 1 1 56 56 GLN N N 56 128.402 128.402 124.315 4.087 25469 2684 1 5 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.764 -0.199 25469 2685 1 5 . 1 1 56 56 GLN C C 56 173.894 173.894 174.161 -0.267 25469 2686 1 5 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.846 0.367 25469 2687 1 5 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.956 0.150 25469 2688 1 5 . 1 1 56 56 GLN H H 56 9.253 9.253 8.907 0.346 25469 2689 1 5 . 1 1 57 57 TYR N N 57 127.617 127.617 123.925 3.692 25469 2690 1 5 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.362 -0.081 25469 2691 1 5 . 1 1 57 57 TYR C C 57 175.610 175.610 177.099 -1.489 25469 2692 1 5 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.554 2.136 25469 2693 1 5 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.984 -0.915 25469 2694 1 5 . 1 1 57 57 TYR H H 57 8.919 8.919 8.877 0.042 25469 2695 1 5 . 1 1 58 58 VAL N N 58 116.705 116.705 119.032 -2.327 25469 2696 1 5 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.867 0.246 25469 2697 1 5 . 1 1 58 58 VAL C C 58 175.860 175.860 175.757 0.103 25469 2698 1 5 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.562 -0.533 25469 2699 1 5 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.097 0.952 25469 2700 1 5 . 1 1 58 58 VAL H H 58 9.458 9.458 8.769 0.689 25469 2701 1 5 . 1 1 59 59 ASN N N 59 112.563 112.563 113.207 -0.644 25469 2702 1 5 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.837 0.313 25469 2703 1 5 . 1 1 59 59 ASN C C 59 174.483 174.483 174.490 -0.007 25469 2704 1 5 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.249 -0.297 25469 2705 1 5 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.030 2.147 25469 2706 1 5 . 1 1 59 59 ASN H H 59 7.230 7.230 7.407 -0.177 25469 2707 1 5 . 1 1 60 60 GLU N N 60 124.320 124.320 119.602 4.718 25469 2708 1 5 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.172 0.143 25469 2709 1 5 . 1 1 60 60 GLU C C 60 178.202 178.202 177.910 0.292 25469 2710 1 5 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.588 -0.807 25469 2711 1 5 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.746 0.632 25469 2712 1 5 . 1 1 60 60 GLU H H 60 8.807 8.807 8.903 -0.096 25469 2713 1 5 . 1 1 61 61 ARG N N 61 118.347 118.347 119.003 -0.656 25469 2714 1 5 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.028 -0.038 25469 2715 1 5 . 1 1 61 61 ARG C C 61 179.341 179.341 178.529 0.812 25469 2716 1 5 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.587 0.880 25469 2717 1 5 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.755 -0.354 25469 2718 1 5 . 1 1 61 61 ARG H H 61 8.620 8.620 8.312 0.308 25469 2719 1 5 . 1 1 62 62 ASN N N 62 118.085 118.085 117.102 0.983 25469 2720 1 5 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.319 -0.042 25469 2721 1 5 . 1 1 62 62 ASN C C 62 174.852 174.852 176.416 -1.564 25469 2722 1 5 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.165 0.300 25469 2723 1 5 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.215 0.791 25469 2724 1 5 . 1 1 62 62 ASN H H 62 7.781 7.781 7.940 -0.159 25469 2725 1 5 . 1 1 63 63 ALA N N 63 119.580 119.580 123.029 -3.449 25469 2726 1 5 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.409 -0.661 25469 2727 1 5 . 1 1 63 63 ALA C C 63 178.862 178.862 179.323 -0.461 25469 2728 1 5 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.709 0.252 25469 2729 1 5 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.776 -0.235 25469 2730 1 5 . 1 1 63 63 ALA H H 63 6.775 6.775 7.298 -0.523 25469 2731 1 5 . 1 1 64 64 ARG N N 64 114.991 114.991 118.407 -3.416 25469 2732 1 5 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.153 -0.313 25469 2733 1 5 . 1 1 64 64 ARG C C 64 179.776 179.776 178.603 1.173 25469 2734 1 5 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.048 2.134 25469 2735 1 5 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.726 -0.479 25469 2736 1 5 . 1 1 64 64 ARG H H 64 8.737 8.737 8.524 0.213 25469 2737 1 5 . 1 1 65 65 ALA N N 65 123.698 123.698 121.375 2.323 25469 2738 1 5 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.311 -0.184 25469 2739 1 5 . 1 1 65 65 ALA C C 65 179.561 179.561 178.553 1.008 25469 2740 1 5 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.482 0.466 25469 2741 1 5 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.354 -0.463 25469 2742 1 5 . 1 1 65 65 ALA H H 65 7.820 7.820 7.551 0.269 25469 2743 1 5 . 1 1 66 66 ALA N N 66 123.811 123.811 120.351 3.460 25469 2744 1 5 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.770 -1.703 25469 2745 1 5 . 1 1 66 66 ALA C C 66 179.260 179.260 179.436 -0.176 25469 2746 1 5 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.562 -0.253 25469 2747 1 5 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.019 0.289 25469 2748 1 5 . 1 1 66 66 ALA H H 66 7.538 7.538 7.460 0.078 25469 2749 1 5 . 1 1 67 67 VAL N N 67 116.571 116.571 118.330 -1.759 25469 2750 1 5 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.678 -0.323 25469 2751 1 5 . 1 1 67 67 VAL C C 67 177.744 177.744 177.582 0.162 25469 2752 1 5 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.827 -0.297 25469 2753 1 5 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.662 0.305 25469 2754 1 5 . 1 1 67 67 VAL H H 67 7.612 7.612 8.275 -0.663 25469 2755 1 5 . 1 1 68 68 ALA N N 68 118.239 118.239 120.327 -2.088 25469 2756 1 5 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.328 -0.207 25469 2757 1 5 . 1 1 68 68 ALA C C 68 180.749 180.749 178.175 2.574 25469 2758 1 5 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.564 0.788 25469 2759 1 5 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.616 -0.519 25469 2760 1 5 . 1 1 68 68 ALA H H 68 7.549 7.549 7.544 0.005 25469 2761 1 5 . 1 1 69 69 GLY N N 69 103.748 103.748 105.004 -1.256 25469 2762 1 5 . 1 1 69 69 GLY C C 69 175.627 175.627 174.799 0.828 25469 2763 1 5 . 1 1 69 69 GLY CA C 69 46.086 46.086 44.958 1.128 25469 2764 1 5 . 1 1 69 69 GLY H H 69 8.135 8.135 7.305 0.830 25469 2765 1 5 . 1 1 70 70 GLU N N 70 114.571 114.571 116.302 -1.731 25469 2766 1 5 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.337 0.295 25469 2767 1 5 . 1 1 70 70 GLU C C 70 176.392 176.392 174.970 1.422 25469 2768 1 5 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.935 -0.737 25469 2769 1 5 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.983 -0.611 25469 2770 1 5 . 1 1 70 70 GLU H H 70 7.653 7.653 7.597 0.056 25469 2771 1 5 . 1 1 71 71 ASP N N 71 118.127 118.127 121.208 -3.081 25469 2772 1 5 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.363 -0.078 25469 2773 1 5 . 1 1 71 71 ASP C C 71 178.699 178.699 177.028 1.671 25469 2774 1 5 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.920 1.622 25469 2775 1 5 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.171 1.199 25469 2776 1 5 . 1 1 71 71 ASP H H 71 8.026 8.026 7.558 0.468 25469 2777 1 5 . 1 1 72 72 GLY N N 72 114.353 114.353 113.718 0.635 25469 2778 1 5 . 1 1 72 72 GLY C C 72 173.792 173.792 174.351 -0.559 25469 2779 1 5 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.131 0.628 25469 2780 1 5 . 1 1 72 72 GLY H H 72 8.292 8.292 8.053 0.239 25469 2781 1 5 . 1 1 73 73 ARG N N 73 121.996 121.996 118.744 3.252 25469 2782 1 5 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.432 -0.246 25469 2783 1 5 . 1 1 73 73 ARG C C 73 175.188 175.188 174.730 0.458 25469 2784 1 5 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.894 1.582 25469 2785 1 5 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.223 0.097 25469 2786 1 5 . 1 1 73 73 ARG H H 73 7.981 7.981 7.921 0.060 25469 2787 1 5 . 1 1 74 74 MET N N 74 125.120 125.120 120.534 4.586 25469 2788 1 5 . 1 1 74 74 MET HA H 74 4.795 4.795 4.663 0.132 25469 2789 1 5 . 1 1 74 74 MET C C 74 175.727 175.727 174.837 0.890 25469 2790 1 5 . 1 1 74 74 MET CA C 74 55.054 55.054 54.702 0.352 25469 2791 1 5 . 1 1 74 74 MET CB C 74 33.076 33.076 34.348 -1.272 25469 2792 1 5 . 1 1 74 74 MET H H 74 8.710 8.710 8.330 0.380 25469 2793 1 5 . 1 1 75 75 ILE N N 75 127.530 127.530 125.699 1.831 25469 2794 1 5 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.425 -0.038 25469 2795 1 5 . 1 1 75 75 ILE C C 75 175.277 175.277 175.626 -0.349 25469 2796 1 5 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.619 -0.888 25469 2797 1 5 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.409 -1.002 25469 2798 1 5 . 1 1 75 75 ILE H H 75 8.583 8.583 8.751 -0.168 25469 2799 1 5 . 1 1 76 76 ALA N N 76 132.166 132.166 130.099 2.067 25469 2800 1 5 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 2801 1 5 . 1 1 76 76 ALA C C 76 177.206 177.206 177.720 -0.514 25469 2802 1 5 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.246 -0.374 25469 2803 1 5 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.356 -0.108 25469 2804 1 5 . 1 1 76 76 ALA H H 76 9.540 9.540 9.038 0.502 25469 2805 1 5 . 1 1 77 77 GLY N N 77 101.685 101.685 102.794 -1.109 25469 2806 1 5 . 1 1 77 77 GLY C C 77 174.206 174.206 173.892 0.314 25469 2807 1 5 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.879 0.888 25469 2808 1 5 . 1 1 77 77 GLY H H 77 8.446 8.446 8.345 0.101 25469 2809 1 5 . 1 1 78 78 GLN N N 78 118.947 118.947 119.979 -1.032 25469 2810 1 5 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.644 0.087 25469 2811 1 5 . 1 1 78 78 GLN C C 78 174.047 174.047 175.055 -1.008 25469 2812 1 5 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.161 0.100 25469 2813 1 5 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.606 0.498 25469 2814 1 5 . 1 1 78 78 GLN H H 78 7.708 7.708 8.118 -0.410 25469 2815 1 5 . 1 1 79 79 VAL N N 79 123.383 123.383 127.038 -3.655 25469 2816 1 5 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.448 -0.434 25469 2817 1 5 . 1 1 79 79 VAL C C 79 176.348 176.348 176.221 0.127 25469 2818 1 5 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.473 -0.805 25469 2819 1 5 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.307 -0.178 25469 2820 1 5 . 1 1 79 79 VAL H H 79 8.570 8.570 8.546 0.024 25469 2821 1 5 . 1 1 80 80 LEU N N 80 128.544 128.544 126.656 1.888 25469 2822 1 5 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.736 -0.428 25469 2823 1 5 . 1 1 80 80 LEU C C 80 176.522 176.522 176.042 0.480 25469 2824 1 5 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.362 2.539 25469 2825 1 5 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.926 -1.028 25469 2826 1 5 . 1 1 80 80 LEU H H 80 9.002 9.002 8.426 0.576 25469 2827 1 5 . 1 1 81 81 ASP N N 81 124.135 124.135 121.942 2.193 25469 2828 1 5 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.237 -0.016 25469 2829 1 5 . 1 1 81 81 ASP C C 81 174.660 174.660 174.679 -0.019 25469 2830 1 5 . 1 1 81 81 ASP CA C 81 52.987 52.987 52.894 0.093 25469 2831 1 5 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.399 0.368 25469 2832 1 5 . 1 1 81 81 ASP H H 81 7.718 7.718 8.353 -0.635 25469 2833 1 5 . 1 1 82 82 ILE N N 82 123.344 123.344 125.735 -2.391 25469 2834 1 5 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.964 0.433 25469 2835 1 5 . 1 1 82 82 ILE C C 82 174.521 174.521 174.360 0.161 25469 2836 1 5 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.916 -0.782 25469 2837 1 5 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.007 -0.040 25469 2838 1 5 . 1 1 82 82 ILE H H 82 9.071 9.071 9.018 0.053 25469 2839 1 5 . 1 1 83 83 ASN N N 83 116.447 116.447 120.758 -4.311 25469 2840 1 5 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.978 -0.136 25469 2841 1 5 . 1 1 83 83 ASN C C 83 174.566 174.566 173.243 1.323 25469 2842 1 5 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.852 1.276 25469 2843 1 5 . 1 1 83 83 ASN CB C 83 43.074 43.074 40.935 2.139 25469 2844 1 5 . 1 1 83 83 ASN H H 83 8.494 8.494 8.773 -0.279 25469 2845 1 5 . 1 1 84 84 LEU N N 84 123.786 123.786 120.669 3.117 25469 2846 1 5 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.441 0.279 25469 2847 1 5 . 1 1 84 84 LEU C C 84 180.969 180.969 178.588 2.381 25469 2848 1 5 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.331 0.026 25469 2849 1 5 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.065 -1.746 25469 2850 1 5 . 1 1 84 84 LEU H H 84 9.414 9.414 8.914 0.500 25469 2851 1 5 . 1 1 85 85 ALA N N 85 127.577 127.577 128.076 -0.499 25469 2852 1 5 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.309 -0.261 25469 2853 1 5 . 1 1 85 85 ALA C C 85 177.932 177.932 176.615 1.317 25469 2854 1 5 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.325 2.024 25469 2855 1 5 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.888 -0.901 25469 2856 1 5 . 1 1 85 85 ALA H H 85 9.279 9.279 8.335 0.944 25469 2857 1 5 . 1 1 86 86 ALA N N 86 116.071 116.071 116.897 -0.826 25469 2858 1 5 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.414 -0.003 25469 2859 1 5 . 1 1 86 86 ALA C C 86 176.153 176.153 176.293 -0.140 25469 2860 1 5 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.045 -0.317 25469 2861 1 5 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.594 -0.284 25469 2862 1 5 . 1 1 86 86 ALA H H 86 8.687 8.687 8.112 0.575 25469 2863 1 5 . 1 1 87 87 GLU N N 87 118.959 118.959 119.859 -0.900 25469 2864 1 5 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.641 0.095 25469 2865 1 5 . 1 1 87 87 GLU C C 87 171.677 171.677 173.776 -2.099 25469 2866 1 5 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.186 -0.014 25469 2867 1 5 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.300 -0.327 25469 2868 1 5 . 1 1 87 87 GLU H H 87 7.901 7.901 7.889 0.012 25469 2869 1 5 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.555 -0.212 25469 2870 1 5 . 1 1 88 88 PRO C C 88 177.303 177.303 177.453 -0.150 25469 2871 1 5 . 1 1 88 88 PRO CA C 88 62.918 62.918 62.980 -0.062 25469 2872 1 5 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.563 -0.665 25469 2873 1 5 . 1 1 89 89 LYS N N 89 121.298 121.298 123.187 -1.889 25469 2874 1 5 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.072 0.155 25469 2875 1 5 . 1 1 89 89 LYS C C 89 177.690 177.690 176.656 1.034 25469 2876 1 5 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.674 -1.872 25469 2877 1 5 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.043 1.461 25469 2878 1 5 . 1 1 89 89 LYS H H 89 7.973 7.973 8.787 -0.814 25469 2879 1 5 . 1 1 90 90 VAL N N 90 120.788 120.788 115.421 5.367 25469 2880 1 5 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.140 -0.211 25469 2881 1 5 . 1 1 90 90 VAL C C 90 176.170 176.170 175.270 0.900 25469 2882 1 5 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.213 1.004 25469 2883 1 5 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.640 -1.294 25469 2884 1 5 . 1 1 90 90 VAL H H 90 8.216 8.216 7.937 0.279 25469 2885 1 5 . 1 1 91 91 ASN N N 91 119.438 119.438 117.944 1.494 25469 2886 1 5 . 1 1 91 91 ASN HA H 91 4.659 4.659 5.128 -0.469 25469 2887 1 5 . 1 1 91 91 ASN C C 91 175.173 175.173 174.063 1.110 25469 2888 1 5 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.690 0.347 25469 2889 1 5 . 1 1 91 91 ASN CB C 91 38.167 38.167 40.520 -2.353 25469 2890 1 5 . 1 1 91 91 ASN H H 91 8.451 8.451 7.719 0.732 25469 2891 1 5 . 1 1 92 92 ARG N N 92 120.958 120.958 119.908 1.050 25469 2892 1 5 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.563 -0.326 25469 2893 1 5 . 1 1 92 92 ARG C C 92 177.002 177.002 175.931 1.071 25469 2894 1 5 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.429 0.215 25469 2895 1 5 . 1 1 92 92 ARG CB C 92 30.526 30.526 32.194 -1.668 25469 2896 1 5 . 1 1 92 92 ARG H H 92 7.978 7.978 8.465 -0.487 25469 2897 1 5 . 1 1 93 93 GLY N N 93 110.275 110.275 108.897 1.378 25469 2898 1 5 . 1 1 93 93 GLY C C 93 174.246 174.246 175.054 -0.808 25469 2899 1 5 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.160 0.224 25469 2900 1 5 . 1 1 93 93 GLY H H 93 8.604 8.604 8.271 0.333 25469 2901 1 5 . 1 1 94 94 LYS N N 94 120.750 120.750 120.363 0.387 25469 2902 1 5 . 1 1 94 94 LYS HA H 94 4.297 4.297 3.883 0.414 25469 2903 1 5 . 1 1 94 94 LYS C C 94 176.525 176.525 175.613 0.912 25469 2904 1 5 . 1 1 94 94 LYS CA C 94 56.044 56.044 57.717 -1.673 25469 2905 1 5 . 1 1 94 94 LYS CB C 94 33.025 33.025 31.197 1.828 25469 2906 1 5 . 1 1 94 94 LYS H H 94 8.113 8.113 8.878 -0.765 25469 2907 1 5 . 1 1 95 95 ALA N N 95 124.912 124.912 119.478 5.434 25469 2908 1 5 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.524 -0.225 25469 2909 1 5 . 1 1 95 95 ALA C C 95 178.325 178.325 175.794 2.531 25469 2910 1 5 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.856 0.895 25469 2911 1 5 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.300 -1.160 25469 2912 1 5 . 1 1 95 95 ALA H H 95 8.367 8.367 7.557 0.810 25469 2913 1 5 . 1 1 96 96 GLY N N 96 108.328 108.328 105.427 2.901 25469 2914 1 5 . 1 1 96 96 GLY C C 96 174.096 174.096 173.966 0.130 25469 2915 1 5 . 1 1 96 96 GLY CA C 96 45.241 45.241 44.695 0.546 25469 2916 1 5 . 1 1 96 96 GLY H H 96 8.390 8.390 8.326 0.064 25469 2917 1 5 . 1 1 97 97 VAL N N 97 119.774 119.774 120.038 -0.264 25469 2918 1 5 . 1 1 97 97 VAL HA H 97 4.077 4.077 3.867 0.210 25469 2919 1 5 . 1 1 97 97 VAL C C 97 176.156 176.156 175.490 0.666 25469 2920 1 5 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.623 -0.324 25469 2921 1 5 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.003 -0.149 25469 2922 1 5 . 1 1 97 97 VAL H H 97 7.925 7.925 7.486 0.439 25469 2923 1 5 . 1 1 98 98 LYS N N 98 126.024 126.024 123.830 2.194 25469 2924 1 5 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.531 -0.205 25469 2925 1 5 . 1 1 98 98 LYS C C 98 176.427 176.427 175.701 0.726 25469 2926 1 5 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.212 0.889 25469 2927 1 5 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.695 0.366 25469 2928 1 5 . 1 1 98 98 LYS H H 98 8.473 8.473 8.221 0.252 25469 2929 1 5 . 1 1 99 99 ARG N N 99 123.644 123.644 120.392 3.252 25469 2930 1 5 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.546 -0.167 25469 2931 1 5 . 1 1 99 99 ARG C C 99 176.231 176.231 176.188 0.043 25469 2932 1 5 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.299 0.633 25469 2933 1 5 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.910 -1.643 25469 2934 1 5 . 1 1 99 99 ARG H H 99 8.464 8.464 7.635 0.829 25469 2935 1 5 . 1 1 100 100 SER N N 100 117.863 117.863 119.164 -1.301 25469 2936 1 5 . 1 1 100 100 SER HA H 100 4.449 4.449 4.335 0.114 25469 2937 1 5 . 1 1 100 100 SER C C 100 174.556 174.556 174.299 0.257 25469 2938 1 5 . 1 1 100 100 SER CA C 100 57.985 57.985 59.620 -1.635 25469 2939 1 5 . 1 1 100 100 SER CB C 100 64.167 64.167 63.217 0.950 25469 2940 1 5 . 1 1 100 100 SER H H 100 8.516 8.516 9.160 -0.644 25469 2941 1 5 . 1 1 101 101 ALA N N 101 126.048 126.048 120.450 5.598 25469 2942 1 5 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.025 0.232 25469 2943 1 5 . 1 1 101 101 ALA C C 101 178.047 178.047 176.648 1.399 25469 2944 1 5 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.486 -0.138 25469 2945 1 5 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.794 1.151 25469 2946 1 5 . 1 1 101 101 ALA H H 101 8.538 8.538 8.200 0.338 25469 2947 1 5 . 1 1 102 102 ALA N N 102 121.566 121.566 119.279 2.287 25469 2948 1 5 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.602 -0.377 25469 2949 1 5 . 1 1 102 102 ALA C C 102 178.254 178.254 178.184 0.070 25469 2950 1 5 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.186 0.859 25469 2951 1 5 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.553 -0.510 25469 2952 1 5 . 1 1 102 102 ALA H H 102 8.212 8.212 8.129 0.083 25469 2953 1 5 . 1 1 103 103 GLU N N 103 118.735 118.735 117.286 1.449 25469 2954 1 5 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.200 0.001 25469 2955 1 5 . 1 1 103 103 GLU C C 103 176.516 176.516 176.611 -0.095 25469 2956 1 5 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.412 -1.756 25469 2957 1 5 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.091 1.136 25469 2958 1 5 . 1 1 103 103 GLU H H 103 8.071 8.071 8.775 -0.704 25469 2959 1 5 . 1 1 104 104 MET N N 104 120.106 120.106 118.222 1.884 25469 2960 1 5 . 1 1 104 104 MET HA H 104 4.326 4.326 4.431 -0.105 25469 2961 1 5 . 1 1 104 104 MET C C 104 175.862 175.862 175.521 0.341 25469 2962 1 5 . 1 1 104 104 MET CA C 104 55.939 55.939 55.439 0.500 25469 2963 1 5 . 1 1 104 104 MET CB C 104 32.999 32.999 32.395 0.604 25469 2964 1 5 . 1 1 104 104 MET H H 104 8.073 8.073 7.698 0.375 25469 2965 1 5 . 1 1 105 105 TYR N N 105 120.285 120.285 116.938 3.347 25469 2966 1 5 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.642 0.011 25469 2967 1 5 . 1 1 105 105 TYR C C 105 175.319 175.319 176.432 -1.113 25469 2968 1 5 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.719 -0.124 25469 2969 1 5 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.237 -0.298 25469 2970 1 5 . 1 1 105 105 TYR H H 105 8.126 8.126 7.564 0.562 25469 2971 1 6 . 1 1 3 3 SER HA H 3 4.553 4.553 4.442 0.111 25469 2972 1 6 . 1 1 3 3 SER C C 3 173.408 173.408 175.652 -2.244 25469 2973 1 6 . 1 1 3 3 SER CA C 3 58.273 58.273 57.273 1.000 25469 2974 1 6 . 1 1 3 3 SER CB C 3 63.940 63.940 64.211 -0.271 25469 2975 1 6 . 1 1 4 4 ASN N N 4 120.235 120.235 120.941 -0.706 25469 2976 1 6 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.994 0.223 25469 2977 1 6 . 1 1 4 4 ASN C C 4 176.243 176.243 174.866 1.377 25469 2978 1 6 . 1 1 4 4 ASN CA C 4 53.044 53.044 52.988 0.056 25469 2979 1 6 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.857 -0.125 25469 2980 1 6 . 1 1 4 4 ASN H H 4 8.774 8.774 8.603 0.171 25469 2981 1 6 . 1 1 5 5 VAL N N 5 122.554 122.554 121.150 1.404 25469 2982 1 6 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.264 -0.495 25469 2983 1 6 . 1 1 5 5 VAL C C 5 177.223 177.223 175.263 1.960 25469 2984 1 6 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.206 3.605 25469 2985 1 6 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.816 -1.942 25469 2986 1 6 . 1 1 5 5 VAL H H 5 8.315 8.315 7.342 0.973 25469 2987 1 6 . 1 1 6 6 THR N N 6 118.503 118.503 114.894 3.609 25469 2988 1 6 . 1 1 6 6 THR HA H 6 4.678 4.678 4.563 0.115 25469 2989 1 6 . 1 1 6 6 THR C C 6 174.350 174.350 173.688 0.662 25469 2990 1 6 . 1 1 6 6 THR CA C 6 60.560 60.560 61.130 -0.570 25469 2991 1 6 . 1 1 6 6 THR CB C 6 69.833 69.833 69.729 0.104 25469 2992 1 6 . 1 1 6 6 THR H H 6 9.394 9.394 8.441 0.953 25469 2993 1 6 . 1 1 7 7 ASN N N 7 120.872 120.872 118.337 2.535 25469 2994 1 6 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.547 0.009 25469 2995 1 6 . 1 1 7 7 ASN C C 7 176.866 176.866 175.749 1.117 25469 2996 1 6 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.652 -0.755 25469 2997 1 6 . 1 1 7 7 ASN CB C 7 38.082 38.082 37.662 0.420 25469 2998 1 6 . 1 1 7 7 ASN H H 7 7.976 7.976 8.018 -0.042 25469 2999 1 6 . 1 1 8 8 LYS N N 8 121.728 121.728 121.165 0.563 25469 3000 1 6 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.282 -0.026 25469 3001 1 6 . 1 1 8 8 LYS C C 8 180.142 180.142 176.859 3.283 25469 3002 1 6 . 1 1 8 8 LYS CA C 8 58.200 58.200 56.875 1.325 25469 3003 1 6 . 1 1 8 8 LYS CB C 8 32.292 32.292 32.843 -0.551 25469 3004 1 6 . 1 1 8 8 LYS H H 8 8.572 8.572 8.129 0.443 25469 3005 1 6 . 1 1 9 9 THR N N 9 110.858 110.858 112.609 -1.751 25469 3006 1 6 . 1 1 9 9 THR HA H 9 4.463 4.463 4.378 0.085 25469 3007 1 6 . 1 1 9 9 THR C C 9 174.485 174.485 173.795 0.690 25469 3008 1 6 . 1 1 9 9 THR CA C 9 61.246 61.246 60.743 0.503 25469 3009 1 6 . 1 1 9 9 THR CB C 9 69.039 69.039 69.242 -0.203 25469 3010 1 6 . 1 1 9 9 THR H H 9 8.691 8.691 8.500 0.191 25469 3011 1 6 . 1 1 10 10 ASP N N 10 121.014 121.014 124.073 -3.059 25469 3012 1 6 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.722 0.103 25469 3013 1 6 . 1 1 10 10 ASP C C 10 173.946 173.946 176.748 -2.802 25469 3014 1 6 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.384 -0.820 25469 3015 1 6 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.369 -1.768 25469 3016 1 6 . 1 1 10 10 ASP H H 10 7.907 7.907 7.916 -0.009 25469 3017 1 6 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.335 -0.180 25469 3018 1 6 . 1 1 11 11 PRO C C 11 178.421 178.421 176.693 1.728 25469 3019 1 6 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.738 1.503 25469 3020 1 6 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.123 0.075 25469 3021 1 6 . 1 1 12 12 ARG N N 12 116.361 116.361 117.489 -1.128 25469 3022 1 6 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.518 -0.426 25469 3023 1 6 . 1 1 12 12 ARG C C 12 180.446 180.446 177.332 3.114 25469 3024 1 6 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.730 1.804 25469 3025 1 6 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.131 -1.881 25469 3026 1 6 . 1 1 12 12 ARG H H 12 7.940 7.940 8.230 -0.290 25469 3027 1 6 . 1 1 13 13 SER N N 13 119.379 119.379 116.509 2.870 25469 3028 1 6 . 1 1 13 13 SER HA H 13 4.052 4.052 4.426 -0.374 25469 3029 1 6 . 1 1 13 13 SER C C 13 178.762 178.762 175.700 3.062 25469 3030 1 6 . 1 1 13 13 SER CA C 13 61.529 61.529 61.198 0.331 25469 3031 1 6 . 1 1 13 13 SER CB C 13 61.778 61.778 63.399 -1.621 25469 3032 1 6 . 1 1 13 13 SER H H 13 8.143 8.143 8.310 -0.167 25469 3033 1 6 . 1 1 14 14 MET N N 14 120.327 120.327 114.555 5.772 25469 3034 1 6 . 1 1 14 14 MET HA H 14 4.097 4.097 4.489 -0.392 25469 3035 1 6 . 1 1 14 14 MET C C 14 178.576 178.576 175.134 3.442 25469 3036 1 6 . 1 1 14 14 MET CA C 14 58.293 58.293 57.055 1.238 25469 3037 1 6 . 1 1 14 14 MET CB C 14 31.813 31.813 32.773 -0.960 25469 3038 1 6 . 1 1 14 14 MET H H 14 8.238 8.238 7.835 0.403 25469 3039 1 6 . 1 1 15 15 ASN N N 15 115.378 115.378 117.059 -1.681 25469 3040 1 6 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.962 -0.337 25469 3041 1 6 . 1 1 15 15 ASN C C 15 172.556 172.556 176.928 -4.372 25469 3042 1 6 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.362 -0.333 25469 3043 1 6 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.762 -3.112 25469 3044 1 6 . 1 1 15 15 ASN H H 15 7.968 7.968 7.706 0.262 25469 3045 1 6 . 1 1 16 16 SER N N 16 106.215 106.215 115.787 -9.572 25469 3046 1 6 . 1 1 16 16 SER HA H 16 4.495 4.495 4.638 -0.143 25469 3047 1 6 . 1 1 16 16 SER C C 16 172.121 172.121 174.006 -1.885 25469 3048 1 6 . 1 1 16 16 SER CA C 16 56.785 56.785 59.475 -2.690 25469 3049 1 6 . 1 1 16 16 SER CB C 16 63.428 63.428 63.763 -0.335 25469 3050 1 6 . 1 1 16 16 SER H H 16 7.253 7.253 8.374 -1.121 25469 3051 1 6 . 1 1 17 17 ARG N N 17 123.348 123.348 122.500 0.848 25469 3052 1 6 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.272 0.320 25469 3053 1 6 . 1 1 17 17 ARG C C 17 174.491 174.491 174.863 -0.372 25469 3054 1 6 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.513 -1.134 25469 3055 1 6 . 1 1 17 17 ARG CB C 17 32.909 32.909 32.971 -0.062 25469 3056 1 6 . 1 1 17 17 ARG H H 17 7.405 7.405 7.733 -0.328 25469 3057 1 6 . 1 1 18 18 VAL N N 18 122.328 122.328 123.399 -1.071 25469 3058 1 6 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.656 0.053 25469 3059 1 6 . 1 1 18 18 VAL C C 18 174.863 174.863 174.243 0.620 25469 3060 1 6 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.096 -0.439 25469 3061 1 6 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.378 -0.076 25469 3062 1 6 . 1 1 18 18 VAL H H 18 9.260 9.260 9.051 0.209 25469 3063 1 6 . 1 1 19 19 PHE N N 19 126.010 126.010 129.336 -3.326 25469 3064 1 6 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.270 0.196 25469 3065 1 6 . 1 1 19 19 PHE C C 19 171.967 171.967 173.624 -1.657 25469 3066 1 6 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.239 1.870 25469 3067 1 6 . 1 1 19 19 PHE CB C 19 41.023 41.023 40.886 0.137 25469 3068 1 6 . 1 1 19 19 PHE H H 19 9.159 9.159 9.365 -0.206 25469 3069 1 6 . 1 1 20 20 ILE N N 20 126.422 126.422 128.037 -1.615 25469 3070 1 6 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.136 -0.275 25469 3071 1 6 . 1 1 20 20 ILE C C 20 173.050 173.050 174.513 -1.463 25469 3072 1 6 . 1 1 20 20 ILE CA C 20 59.348 59.348 60.004 -0.656 25469 3073 1 6 . 1 1 20 20 ILE CB C 20 39.200 39.200 37.996 1.204 25469 3074 1 6 . 1 1 20 20 ILE H H 20 7.716 7.716 8.505 -0.789 25469 3075 1 6 . 1 1 21 21 GLY N N 21 113.182 113.182 111.883 1.299 25469 3076 1 6 . 1 1 21 21 GLY C C 21 173.769 173.769 173.839 -0.070 25469 3077 1 6 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.107 0.753 25469 3078 1 6 . 1 1 21 21 GLY H H 21 8.550 8.550 8.054 0.496 25469 3079 1 6 . 1 1 22 22 ASN N N 22 116.072 116.072 115.985 0.087 25469 3080 1 6 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.294 0.053 25469 3081 1 6 . 1 1 22 22 ASN C C 22 174.205 174.205 174.045 0.160 25469 3082 1 6 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.732 -0.299 25469 3083 1 6 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.741 1.085 25469 3084 1 6 . 1 1 22 22 ASN H H 22 7.291 7.291 8.594 -1.303 25469 3085 1 6 . 1 1 23 23 LEU N N 23 118.873 118.873 118.831 0.042 25469 3086 1 6 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.684 -0.756 25469 3087 1 6 . 1 1 23 23 LEU C C 23 176.551 176.551 176.178 0.373 25469 3088 1 6 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.374 -0.709 25469 3089 1 6 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.407 -0.058 25469 3090 1 6 . 1 1 23 23 LEU H H 23 7.279 7.279 7.961 -0.682 25469 3091 1 6 . 1 1 24 24 ASN N N 24 124.260 124.260 123.268 0.992 25469 3092 1 6 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.479 0.280 25469 3093 1 6 . 1 1 24 24 ASN C C 24 175.831 175.831 175.659 0.172 25469 3094 1 6 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.392 -3.752 25469 3095 1 6 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.479 -2.924 25469 3096 1 6 . 1 1 24 24 ASN H H 24 9.075 9.075 8.789 0.286 25469 3097 1 6 . 1 1 25 25 THR N N 25 118.101 118.101 107.658 10.443 25469 3098 1 6 . 1 1 25 25 THR HA H 25 4.377 4.377 4.154 0.223 25469 3099 1 6 . 1 1 25 25 THR C C 25 175.286 175.286 174.388 0.898 25469 3100 1 6 . 1 1 25 25 THR CA C 25 63.324 63.324 63.560 -0.236 25469 3101 1 6 . 1 1 25 25 THR CB C 25 67.439 67.439 67.703 -0.263 25469 3102 1 6 . 1 1 25 25 THR H H 25 8.226 8.226 8.023 0.203 25469 3103 1 6 . 1 1 26 26 LEU N N 26 121.285 121.285 117.931 3.354 25469 3104 1 6 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.481 -0.170 25469 3105 1 6 . 1 1 26 26 LEU C C 26 178.244 178.244 177.276 0.968 25469 3106 1 6 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.166 1.148 25469 3107 1 6 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.356 -1.028 25469 3108 1 6 . 1 1 26 26 LEU H H 26 7.670 7.670 7.838 -0.168 25469 3109 1 6 . 1 1 27 27 VAL N N 27 114.562 114.562 116.045 -1.483 25469 3110 1 6 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.224 -0.177 25469 3111 1 6 . 1 1 27 27 VAL C C 27 175.200 175.200 175.882 -0.682 25469 3112 1 6 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.910 0.121 25469 3113 1 6 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.020 2.162 25469 3114 1 6 . 1 1 27 27 VAL H H 27 6.790 6.790 7.595 -0.805 25469 3115 1 6 . 1 1 28 28 VAL N N 28 121.996 121.996 120.074 1.922 25469 3116 1 6 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.172 -0.313 25469 3117 1 6 . 1 1 28 28 VAL C C 28 174.352 174.352 174.858 -0.506 25469 3118 1 6 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.990 1.202 25469 3119 1 6 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.885 -0.944 25469 3120 1 6 . 1 1 28 28 VAL H H 28 8.276 8.276 7.700 0.576 25469 3121 1 6 . 1 1 29 29 LYS N N 29 124.228 124.228 123.568 0.660 25469 3122 1 6 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.650 -0.048 25469 3123 1 6 . 1 1 29 29 LYS C C 29 177.959 177.959 177.347 0.612 25469 3124 1 6 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.547 -0.902 25469 3125 1 6 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.668 -1.273 25469 3126 1 6 . 1 1 29 29 LYS H H 29 8.925 8.925 7.962 0.963 25469 3127 1 6 . 1 1 30 30 LYS N N 30 123.350 123.350 121.067 2.283 25469 3128 1 6 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.074 -0.420 25469 3129 1 6 . 1 1 30 30 LYS C C 30 177.639 177.639 176.785 0.854 25469 3130 1 6 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.367 3.034 25469 3131 1 6 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.858 0.791 25469 3132 1 6 . 1 1 30 30 LYS H H 30 8.993 8.993 8.721 0.272 25469 3133 1 6 . 1 1 31 31 SER N N 31 111.465 111.465 113.716 -2.251 25469 3134 1 6 . 1 1 31 31 SER HA H 31 4.167 4.167 4.681 -0.514 25469 3135 1 6 . 1 1 31 31 SER C C 31 177.617 177.617 174.275 3.342 25469 3136 1 6 . 1 1 31 31 SER CA C 31 61.389 61.389 58.580 2.809 25469 3137 1 6 . 1 1 31 31 SER CB C 31 61.533 61.533 63.544 -2.011 25469 3138 1 6 . 1 1 31 31 SER H H 31 8.669 8.669 8.075 0.594 25469 3139 1 6 . 1 1 32 32 ASP N N 32 122.187 122.187 121.845 0.342 25469 3140 1 6 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.818 -0.298 25469 3141 1 6 . 1 1 32 32 ASP C C 32 178.194 178.194 178.362 -0.168 25469 3142 1 6 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.953 1.235 25469 3143 1 6 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.632 -0.785 25469 3144 1 6 . 1 1 32 32 ASP H H 32 7.141 7.141 8.097 -0.956 25469 3145 1 6 . 1 1 33 33 VAL N N 33 120.138 120.138 120.360 -0.222 25469 3146 1 6 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.877 -0.416 25469 3147 1 6 . 1 1 33 33 VAL C C 33 178.624 178.624 176.456 2.168 25469 3148 1 6 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.703 0.671 25469 3149 1 6 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.848 -0.563 25469 3150 1 6 . 1 1 33 33 VAL H H 33 7.956 7.956 8.059 -0.103 25469 3151 1 6 . 1 1 34 34 GLU N N 34 118.717 118.717 116.084 2.633 25469 3152 1 6 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.243 -0.489 25469 3153 1 6 . 1 1 34 34 GLU C C 34 178.701 178.701 175.924 2.777 25469 3154 1 6 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.315 3.190 25469 3155 1 6 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.509 0.835 25469 3156 1 6 . 1 1 34 34 GLU H H 34 8.637 8.637 8.668 -0.031 25469 3157 1 6 . 1 1 35 35 ALA N N 35 121.541 121.541 120.048 1.493 25469 3158 1 6 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.570 -0.421 25469 3159 1 6 . 1 1 35 35 ALA C C 35 180.483 180.483 177.350 3.133 25469 3160 1 6 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.685 2.831 25469 3161 1 6 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.284 -2.236 25469 3162 1 6 . 1 1 35 35 ALA H H 35 7.823 7.823 7.910 -0.087 25469 3163 1 6 . 1 1 36 36 ILE N N 36 117.449 117.449 117.228 0.221 25469 3164 1 6 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.029 -0.366 25469 3165 1 6 . 1 1 36 36 ILE C C 36 178.665 178.665 175.875 2.790 25469 3166 1 6 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.894 1.917 25469 3167 1 6 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.536 0.254 25469 3168 1 6 . 1 1 36 36 ILE H H 36 7.773 7.773 7.519 0.254 25469 3169 1 6 . 1 1 37 37 PHE N N 37 113.524 113.524 117.034 -3.510 25469 3170 1 6 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.967 -0.609 25469 3171 1 6 . 1 1 37 37 PHE C C 37 179.593 179.593 177.470 2.123 25469 3172 1 6 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.221 3.459 25469 3173 1 6 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.420 -3.210 25469 3174 1 6 . 1 1 37 37 PHE H H 37 8.566 8.566 8.321 0.245 25469 3175 1 6 . 1 1 38 38 SER N N 38 122.025 122.025 115.167 6.858 25469 3176 1 6 . 1 1 38 38 SER HA H 38 4.821 4.821 4.722 0.099 25469 3177 1 6 . 1 1 38 38 SER C C 38 175.439 175.439 175.526 -0.087 25469 3178 1 6 . 1 1 38 38 SER CA C 38 61.519 61.519 60.199 1.320 25469 3179 1 6 . 1 1 38 38 SER CB C 38 62.765 62.765 63.531 -0.765 25469 3180 1 6 . 1 1 38 38 SER H H 38 8.834 8.834 8.541 0.293 25469 3181 1 6 . 1 1 39 39 LYS N N 39 119.387 119.387 118.837 0.550 25469 3182 1 6 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.075 -0.114 25469 3183 1 6 . 1 1 39 39 LYS C C 39 177.064 177.064 176.176 0.888 25469 3184 1 6 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.376 0.903 25469 3185 1 6 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.409 0.177 25469 3186 1 6 . 1 1 39 39 LYS H H 39 7.054 7.054 7.983 -0.929 25469 3187 1 6 . 1 1 40 40 TYR N N 40 114.433 114.433 118.570 -4.137 25469 3188 1 6 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.592 -0.315 25469 3189 1 6 . 1 1 40 40 TYR C C 40 174.842 174.842 174.972 -0.130 25469 3190 1 6 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.884 0.966 25469 3191 1 6 . 1 1 40 40 TYR CB C 40 38.427 38.427 39.984 -1.557 25469 3192 1 6 . 1 1 40 40 TYR H H 40 6.956 6.956 7.354 -0.398 25469 3193 1 6 . 1 1 41 41 GLY N N 41 106.514 106.514 103.785 2.729 25469 3194 1 6 . 1 1 41 41 GLY C C 41 170.573 170.573 171.809 -1.236 25469 3195 1 6 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.793 -0.237 25469 3196 1 6 . 1 1 41 41 GLY H H 41 7.428 7.428 7.277 0.151 25469 3197 1 6 . 1 1 42 42 LYS N N 42 117.788 117.788 121.706 -3.918 25469 3198 1 6 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.354 -0.157 25469 3199 1 6 . 1 1 42 42 LYS C C 42 176.536 176.536 176.031 0.505 25469 3200 1 6 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.710 0.426 25469 3201 1 6 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.760 0.207 25469 3202 1 6 . 1 1 42 42 LYS H H 42 8.034 8.034 8.473 -0.439 25469 3203 1 6 . 1 1 43 43 ILE N N 43 127.104 127.104 127.906 -0.802 25469 3204 1 6 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.491 -0.467 25469 3205 1 6 . 1 1 43 43 ILE C C 43 176.993 176.993 176.542 0.451 25469 3206 1 6 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.551 -0.171 25469 3207 1 6 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.555 0.358 25469 3208 1 6 . 1 1 43 43 ILE H H 43 8.711 8.711 8.722 -0.011 25469 3209 1 6 . 1 1 44 44 VAL N N 44 121.993 121.993 119.705 2.288 25469 3210 1 6 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.524 -0.160 25469 3211 1 6 . 1 1 44 44 VAL C C 44 176.853 176.853 175.463 1.390 25469 3212 1 6 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.020 0.839 25469 3213 1 6 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.111 -0.559 25469 3214 1 6 . 1 1 44 44 VAL H H 44 8.711 8.711 8.806 -0.095 25469 3215 1 6 . 1 1 45 45 GLY N N 45 109.507 109.507 107.894 1.613 25469 3216 1 6 . 1 1 45 45 GLY C C 45 171.266 171.266 171.508 -0.242 25469 3217 1 6 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.667 -0.658 25469 3218 1 6 . 1 1 45 45 GLY H H 45 7.530 7.530 7.444 0.086 25469 3219 1 6 . 1 1 46 46 CYS N N 46 124.546 124.546 121.355 3.191 25469 3220 1 6 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.437 -0.406 25469 3221 1 6 . 1 1 46 46 CYS C C 46 172.073 172.073 172.303 -0.230 25469 3222 1 6 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.303 0.660 25469 3223 1 6 . 1 1 46 46 CYS CB C 46 28.342 28.342 30.689 -2.347 25469 3224 1 6 . 1 1 46 46 CYS H H 46 8.982 8.982 9.187 -0.205 25469 3225 1 6 . 1 1 47 47 SER N N 47 122.933 122.933 119.403 3.530 25469 3226 1 6 . 1 1 47 47 SER HA H 47 4.908 4.908 4.844 0.064 25469 3227 1 6 . 1 1 47 47 SER C C 47 171.849 171.849 172.080 -0.231 25469 3228 1 6 . 1 1 47 47 SER CA C 47 56.585 56.585 57.215 -0.630 25469 3229 1 6 . 1 1 47 47 SER CB C 47 65.733 65.733 65.406 0.327 25469 3230 1 6 . 1 1 47 47 SER H H 47 8.569 8.569 9.002 -0.433 25469 3231 1 6 . 1 1 48 48 VAL N N 48 121.588 121.588 122.878 -1.290 25469 3232 1 6 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.295 -0.157 25469 3233 1 6 . 1 1 48 48 VAL C C 48 173.991 173.991 174.262 -0.271 25469 3234 1 6 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.327 0.983 25469 3235 1 6 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.678 -0.754 25469 3236 1 6 . 1 1 48 48 VAL H H 48 8.565 8.565 8.249 0.316 25469 3237 1 6 . 1 1 49 49 HIS N N 49 130.308 130.308 123.638 6.670 25469 3238 1 6 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.767 -0.335 25469 3239 1 6 . 1 1 49 49 HIS C C 49 173.950 173.950 173.978 -0.028 25469 3240 1 6 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.227 0.424 25469 3241 1 6 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.652 -1.099 25469 3242 1 6 . 1 1 49 49 HIS H H 49 8.441 8.441 8.835 -0.394 25469 3243 1 6 . 1 1 50 50 LYS N N 50 121.937 121.937 119.915 2.022 25469 3244 1 6 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.976 0.484 25469 3245 1 6 . 1 1 50 50 LYS C C 50 175.528 175.528 177.049 -1.521 25469 3246 1 6 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.759 -0.470 25469 3247 1 6 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.344 -1.866 25469 3248 1 6 . 1 1 50 50 LYS H H 50 7.926 7.926 8.224 -0.298 25469 3249 1 6 . 1 1 51 51 GLY N N 51 114.868 114.868 111.666 3.202 25469 3250 1 6 . 1 1 51 51 GLY C C 51 174.253 174.253 173.137 1.116 25469 3251 1 6 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.101 -0.581 25469 3252 1 6 . 1 1 51 51 GLY H H 51 8.644 8.644 8.780 -0.136 25469 3253 1 6 . 1 1 52 52 PHE N N 52 112.790 112.790 115.179 -2.389 25469 3254 1 6 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.625 -0.377 25469 3255 1 6 . 1 1 52 52 PHE C C 52 171.606 171.606 172.897 -1.291 25469 3256 1 6 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.392 0.838 25469 3257 1 6 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.409 -0.364 25469 3258 1 6 . 1 1 52 52 PHE H H 52 7.005 7.005 7.209 -0.204 25469 3259 1 6 . 1 1 53 53 ALA N N 53 119.858 119.858 119.261 0.597 25469 3260 1 6 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.879 -0.044 25469 3261 1 6 . 1 1 53 53 ALA C C 53 173.030 173.030 174.609 -1.579 25469 3262 1 6 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.160 -0.814 25469 3263 1 6 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.495 2.237 25469 3264 1 6 . 1 1 53 53 ALA H H 53 8.724 8.724 8.519 0.205 25469 3265 1 6 . 1 1 54 54 PHE N N 54 112.158 112.158 116.368 -4.210 25469 3266 1 6 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.686 -0.106 25469 3267 1 6 . 1 1 54 54 PHE C C 54 175.765 175.765 174.088 1.677 25469 3268 1 6 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.050 -0.446 25469 3269 1 6 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.462 -0.168 25469 3270 1 6 . 1 1 54 54 PHE H H 54 8.764 8.764 9.208 -0.444 25469 3271 1 6 . 1 1 55 55 VAL N N 55 118.628 118.628 121.353 -2.725 25469 3272 1 6 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.530 -0.318 25469 3273 1 6 . 1 1 55 55 VAL C C 55 172.807 172.807 173.720 -0.913 25469 3274 1 6 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.011 0.866 25469 3275 1 6 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.755 -0.802 25469 3276 1 6 . 1 1 55 55 VAL H H 55 8.310 8.310 8.893 -0.583 25469 3277 1 6 . 1 1 56 56 GLN N N 56 128.402 128.402 124.377 4.025 25469 3278 1 6 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.762 -0.197 25469 3279 1 6 . 1 1 56 56 GLN C C 56 173.894 173.894 174.225 -0.331 25469 3280 1 6 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.888 0.325 25469 3281 1 6 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.900 0.206 25469 3282 1 6 . 1 1 56 56 GLN H H 56 9.253 9.253 8.913 0.340 25469 3283 1 6 . 1 1 57 57 TYR N N 57 127.617 127.617 123.972 3.645 25469 3284 1 6 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.338 -0.057 25469 3285 1 6 . 1 1 57 57 TYR C C 57 175.610 175.610 177.024 -1.414 25469 3286 1 6 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.477 2.214 25469 3287 1 6 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.071 -1.002 25469 3288 1 6 . 1 1 57 57 TYR H H 57 8.919 8.919 8.926 -0.007 25469 3289 1 6 . 1 1 58 58 VAL N N 58 116.705 116.705 118.932 -2.227 25469 3290 1 6 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.867 0.246 25469 3291 1 6 . 1 1 58 58 VAL C C 58 175.860 175.860 175.712 0.148 25469 3292 1 6 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.511 -0.482 25469 3293 1 6 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.130 0.919 25469 3294 1 6 . 1 1 58 58 VAL H H 58 9.458 9.458 8.827 0.631 25469 3295 1 6 . 1 1 59 59 ASN N N 59 112.563 112.563 113.158 -0.595 25469 3296 1 6 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.830 0.320 25469 3297 1 6 . 1 1 59 59 ASN C C 59 174.483 174.483 174.481 0.002 25469 3298 1 6 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.278 -0.326 25469 3299 1 6 . 1 1 59 59 ASN CB C 59 42.177 42.177 39.991 2.186 25469 3300 1 6 . 1 1 59 59 ASN H H 59 7.230 7.230 7.392 -0.162 25469 3301 1 6 . 1 1 60 60 GLU N N 60 124.320 124.320 119.549 4.771 25469 3302 1 6 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.198 0.117 25469 3303 1 6 . 1 1 60 60 GLU C C 60 178.202 178.202 177.925 0.277 25469 3304 1 6 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.526 -0.745 25469 3305 1 6 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.745 0.633 25469 3306 1 6 . 1 1 60 60 GLU H H 60 8.807 8.807 8.908 -0.101 25469 3307 1 6 . 1 1 61 61 ARG N N 61 118.347 118.347 118.985 -0.638 25469 3308 1 6 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.037 -0.047 25469 3309 1 6 . 1 1 61 61 ARG C C 61 179.341 179.341 178.514 0.827 25469 3310 1 6 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.559 0.908 25469 3311 1 6 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.767 -0.366 25469 3312 1 6 . 1 1 61 61 ARG H H 61 8.620 8.620 8.319 0.301 25469 3313 1 6 . 1 1 62 62 ASN N N 62 118.085 118.085 117.196 0.889 25469 3314 1 6 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.311 -0.034 25469 3315 1 6 . 1 1 62 62 ASN C C 62 174.852 174.852 176.495 -1.643 25469 3316 1 6 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.261 0.204 25469 3317 1 6 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.156 0.851 25469 3318 1 6 . 1 1 62 62 ASN H H 62 7.781 7.781 7.925 -0.144 25469 3319 1 6 . 1 1 63 63 ALA N N 63 119.580 119.580 122.688 -3.108 25469 3320 1 6 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.440 -0.692 25469 3321 1 6 . 1 1 63 63 ALA C C 63 178.862 178.862 179.358 -0.496 25469 3322 1 6 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.687 0.274 25469 3323 1 6 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.741 -0.200 25469 3324 1 6 . 1 1 63 63 ALA H H 63 6.775 6.775 7.271 -0.496 25469 3325 1 6 . 1 1 64 64 ARG N N 64 114.991 114.991 118.425 -3.434 25469 3326 1 6 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.153 -0.313 25469 3327 1 6 . 1 1 64 64 ARG C C 64 179.776 179.776 178.593 1.183 25469 3328 1 6 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.099 2.083 25469 3329 1 6 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.756 -0.509 25469 3330 1 6 . 1 1 64 64 ARG H H 64 8.737 8.737 8.333 0.404 25469 3331 1 6 . 1 1 65 65 ALA N N 65 123.698 123.698 121.385 2.313 25469 3332 1 6 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.290 -0.163 25469 3333 1 6 . 1 1 65 65 ALA C C 65 179.561 179.561 178.527 1.034 25469 3334 1 6 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.478 0.470 25469 3335 1 6 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.349 -0.458 25469 3336 1 6 . 1 1 65 65 ALA H H 65 7.820 7.820 7.546 0.274 25469 3337 1 6 . 1 1 66 66 ALA N N 66 123.811 123.811 120.166 3.645 25469 3338 1 6 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.687 -1.620 25469 3339 1 6 . 1 1 66 66 ALA C C 66 179.260 179.260 179.411 -0.151 25469 3340 1 6 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.493 -0.184 25469 3341 1 6 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.071 0.237 25469 3342 1 6 . 1 1 66 66 ALA H H 66 7.538 7.538 7.407 0.131 25469 3343 1 6 . 1 1 67 67 VAL N N 67 116.571 116.571 118.343 -1.772 25469 3344 1 6 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.690 -0.335 25469 3345 1 6 . 1 1 67 67 VAL C C 67 177.744 177.744 177.537 0.207 25469 3346 1 6 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.731 -0.202 25469 3347 1 6 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.678 0.289 25469 3348 1 6 . 1 1 67 67 VAL H H 67 7.612 7.612 8.236 -0.624 25469 3349 1 6 . 1 1 68 68 ALA N N 68 118.239 118.239 120.240 -2.001 25469 3350 1 6 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.280 -0.159 25469 3351 1 6 . 1 1 68 68 ALA C C 68 180.749 180.749 178.174 2.575 25469 3352 1 6 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.552 0.800 25469 3353 1 6 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.658 -0.561 25469 3354 1 6 . 1 1 68 68 ALA H H 68 7.549 7.549 7.559 -0.010 25469 3355 1 6 . 1 1 69 69 GLY N N 69 103.748 103.748 105.072 -1.324 25469 3356 1 6 . 1 1 69 69 GLY C C 69 175.627 175.627 174.908 0.719 25469 3357 1 6 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.014 1.072 25469 3358 1 6 . 1 1 69 69 GLY H H 69 8.135 8.135 7.321 0.814 25469 3359 1 6 . 1 1 70 70 GLU N N 70 114.571 114.571 116.304 -1.733 25469 3360 1 6 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.374 0.258 25469 3361 1 6 . 1 1 70 70 GLU C C 70 176.392 176.392 175.034 1.358 25469 3362 1 6 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.910 -0.712 25469 3363 1 6 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.934 -0.562 25469 3364 1 6 . 1 1 70 70 GLU H H 70 7.653 7.653 7.583 0.070 25469 3365 1 6 . 1 1 71 71 ASP N N 71 118.127 118.127 121.188 -3.061 25469 3366 1 6 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.355 -0.070 25469 3367 1 6 . 1 1 71 71 ASP C C 71 178.699 178.699 177.064 1.635 25469 3368 1 6 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.039 1.503 25469 3369 1 6 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.248 1.122 25469 3370 1 6 . 1 1 71 71 ASP H H 71 8.026 8.026 7.573 0.453 25469 3371 1 6 . 1 1 72 72 GLY N N 72 114.353 114.353 113.761 0.592 25469 3372 1 6 . 1 1 72 72 GLY C C 72 173.792 173.792 174.365 -0.573 25469 3373 1 6 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.142 0.617 25469 3374 1 6 . 1 1 72 72 GLY H H 72 8.292 8.292 8.165 0.127 25469 3375 1 6 . 1 1 73 73 ARG N N 73 121.996 121.996 119.304 2.692 25469 3376 1 6 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.448 -0.262 25469 3377 1 6 . 1 1 73 73 ARG C C 73 175.188 175.188 174.834 0.354 25469 3378 1 6 . 1 1 73 73 ARG CA C 73 56.476 56.476 55.005 1.471 25469 3379 1 6 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.243 0.076 25469 3380 1 6 . 1 1 73 73 ARG H H 73 7.981 7.981 8.070 -0.089 25469 3381 1 6 . 1 1 74 74 MET N N 74 125.120 125.120 120.573 4.547 25469 3382 1 6 . 1 1 74 74 MET HA H 74 4.795 4.795 4.760 0.035 25469 3383 1 6 . 1 1 74 74 MET C C 74 175.727 175.727 174.895 0.832 25469 3384 1 6 . 1 1 74 74 MET CA C 74 55.054 55.054 54.593 0.461 25469 3385 1 6 . 1 1 74 74 MET CB C 74 33.076 33.076 34.440 -1.363 25469 3386 1 6 . 1 1 74 74 MET H H 74 8.710 8.710 8.319 0.391 25469 3387 1 6 . 1 1 75 75 ILE N N 75 127.530 127.530 125.743 1.787 25469 3388 1 6 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.425 -0.038 25469 3389 1 6 . 1 1 75 75 ILE C C 75 175.277 175.277 175.621 -0.344 25469 3390 1 6 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.588 -0.857 25469 3391 1 6 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.372 -0.965 25469 3392 1 6 . 1 1 75 75 ILE H H 75 8.583 8.583 8.801 -0.218 25469 3393 1 6 . 1 1 76 76 ALA N N 76 132.166 132.166 130.129 2.037 25469 3394 1 6 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.981 0.051 25469 3395 1 6 . 1 1 76 76 ALA C C 76 177.206 177.206 177.699 -0.493 25469 3396 1 6 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.240 -0.368 25469 3397 1 6 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.348 -0.100 25469 3398 1 6 . 1 1 76 76 ALA H H 76 9.540 9.540 9.037 0.503 25469 3399 1 6 . 1 1 77 77 GLY N N 77 101.685 101.685 102.773 -1.088 25469 3400 1 6 . 1 1 77 77 GLY C C 77 174.206 174.206 173.882 0.324 25469 3401 1 6 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.855 0.912 25469 3402 1 6 . 1 1 77 77 GLY H H 77 8.446 8.446 8.333 0.113 25469 3403 1 6 . 1 1 78 78 GLN N N 78 118.947 118.947 120.200 -1.253 25469 3404 1 6 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.651 0.080 25469 3405 1 6 . 1 1 78 78 GLN C C 78 174.047 174.047 174.807 -0.760 25469 3406 1 6 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.415 -0.154 25469 3407 1 6 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.645 0.459 25469 3408 1 6 . 1 1 78 78 GLN H H 78 7.708 7.708 8.100 -0.392 25469 3409 1 6 . 1 1 79 79 VAL N N 79 123.383 123.383 126.921 -3.538 25469 3410 1 6 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.490 -0.476 25469 3411 1 6 . 1 1 79 79 VAL C C 79 176.348 176.348 176.328 0.020 25469 3412 1 6 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.578 -0.910 25469 3413 1 6 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.291 -0.162 25469 3414 1 6 . 1 1 79 79 VAL H H 79 8.570 8.570 8.538 0.032 25469 3415 1 6 . 1 1 80 80 LEU N N 80 128.544 128.544 126.649 1.895 25469 3416 1 6 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.726 -0.418 25469 3417 1 6 . 1 1 80 80 LEU C C 80 176.522 176.522 176.346 0.176 25469 3418 1 6 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.282 2.619 25469 3419 1 6 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.933 -1.034 25469 3420 1 6 . 1 1 80 80 LEU H H 80 9.002 9.002 8.473 0.529 25469 3421 1 6 . 1 1 81 81 ASP N N 81 124.135 124.135 122.347 1.788 25469 3422 1 6 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.292 -0.071 25469 3423 1 6 . 1 1 81 81 ASP C C 81 174.660 174.660 174.686 -0.026 25469 3424 1 6 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.880 -0.893 25469 3425 1 6 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.606 0.161 25469 3426 1 6 . 1 1 81 81 ASP H H 81 7.718 7.718 8.303 -0.585 25469 3427 1 6 . 1 1 82 82 ILE N N 82 123.344 123.344 124.528 -1.184 25469 3428 1 6 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.975 0.422 25469 3429 1 6 . 1 1 82 82 ILE C C 82 174.521 174.521 174.419 0.102 25469 3430 1 6 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.991 -0.857 25469 3431 1 6 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.212 -0.245 25469 3432 1 6 . 1 1 82 82 ILE H H 82 9.071 9.071 9.151 -0.080 25469 3433 1 6 . 1 1 83 83 ASN N N 83 116.447 116.447 120.938 -4.491 25469 3434 1 6 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.978 -0.136 25469 3435 1 6 . 1 1 83 83 ASN C C 83 174.566 174.566 173.421 1.145 25469 3436 1 6 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.717 1.411 25469 3437 1 6 . 1 1 83 83 ASN CB C 83 43.074 43.074 40.560 2.514 25469 3438 1 6 . 1 1 83 83 ASN H H 83 8.494 8.494 8.866 -0.372 25469 3439 1 6 . 1 1 84 84 LEU N N 84 123.786 123.786 120.225 3.561 25469 3440 1 6 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.561 0.159 25469 3441 1 6 . 1 1 84 84 LEU C C 84 180.969 180.969 179.083 1.886 25469 3442 1 6 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.263 1.094 25469 3443 1 6 . 1 1 84 84 LEU CB C 84 41.319 41.319 41.249 0.070 25469 3444 1 6 . 1 1 84 84 LEU H H 84 9.414 9.414 8.815 0.599 25469 3445 1 6 . 1 1 85 85 ALA N N 85 127.577 127.577 125.116 2.461 25469 3446 1 6 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.284 -0.236 25469 3447 1 6 . 1 1 85 85 ALA C C 85 177.932 177.932 176.630 1.302 25469 3448 1 6 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.224 2.124 25469 3449 1 6 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.861 -0.874 25469 3450 1 6 . 1 1 85 85 ALA H H 85 9.279 9.279 8.276 1.003 25469 3451 1 6 . 1 1 86 86 ALA N N 86 116.071 116.071 116.922 -0.851 25469 3452 1 6 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.418 -0.007 25469 3453 1 6 . 1 1 86 86 ALA C C 86 176.153 176.153 176.346 -0.193 25469 3454 1 6 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.093 -0.364 25469 3455 1 6 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.835 -0.525 25469 3456 1 6 . 1 1 86 86 ALA H H 86 8.687 8.687 8.168 0.519 25469 3457 1 6 . 1 1 87 87 GLU N N 87 118.959 118.959 119.900 -0.941 25469 3458 1 6 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.657 0.079 25469 3459 1 6 . 1 1 87 87 GLU C C 87 171.677 171.677 173.750 -2.073 25469 3460 1 6 . 1 1 87 87 GLU CA C 87 53.172 53.172 52.942 0.230 25469 3461 1 6 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.195 -0.222 25469 3462 1 6 . 1 1 87 87 GLU H H 87 7.901 7.901 7.695 0.206 25469 3463 1 6 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.505 -0.162 25469 3464 1 6 . 1 1 88 88 PRO C C 88 177.303 177.303 177.573 -0.270 25469 3465 1 6 . 1 1 88 88 PRO CA C 88 62.918 62.918 62.991 -0.073 25469 3466 1 6 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.645 -0.747 25469 3467 1 6 . 1 1 89 89 LYS N N 89 121.298 121.298 122.842 -1.544 25469 3468 1 6 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.008 0.219 25469 3469 1 6 . 1 1 89 89 LYS C C 89 177.690 177.690 176.797 0.893 25469 3470 1 6 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.673 -1.871 25469 3471 1 6 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.109 1.395 25469 3472 1 6 . 1 1 89 89 LYS H H 89 7.973 7.973 8.545 -0.572 25469 3473 1 6 . 1 1 90 90 VAL N N 90 120.788 120.788 115.457 5.331 25469 3474 1 6 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.083 -0.154 25469 3475 1 6 . 1 1 90 90 VAL C C 90 176.170 176.170 175.175 0.995 25469 3476 1 6 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.839 0.378 25469 3477 1 6 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.532 -1.186 25469 3478 1 6 . 1 1 90 90 VAL H H 90 8.216 8.216 8.050 0.166 25469 3479 1 6 . 1 1 91 91 ASN N N 91 119.438 119.438 118.203 1.235 25469 3480 1 6 . 1 1 91 91 ASN HA H 91 4.659 4.659 5.053 -0.394 25469 3481 1 6 . 1 1 91 91 ASN C C 91 175.173 175.173 173.988 1.185 25469 3482 1 6 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.740 0.296 25469 3483 1 6 . 1 1 91 91 ASN CB C 91 38.167 38.167 40.872 -2.705 25469 3484 1 6 . 1 1 91 91 ASN H H 91 8.451 8.451 7.979 0.472 25469 3485 1 6 . 1 1 92 92 ARG N N 92 120.958 120.958 120.783 0.175 25469 3486 1 6 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.657 -0.420 25469 3487 1 6 . 1 1 92 92 ARG C C 92 177.002 177.002 175.913 1.089 25469 3488 1 6 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.716 0.928 25469 3489 1 6 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.257 0.269 25469 3490 1 6 . 1 1 92 92 ARG H H 92 7.978 7.978 8.671 -0.693 25469 3491 1 6 . 1 1 93 93 GLY N N 93 110.275 110.275 111.570 -1.295 25469 3492 1 6 . 1 1 93 93 GLY C C 93 174.246 174.246 174.231 0.015 25469 3493 1 6 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.052 0.332 25469 3494 1 6 . 1 1 93 93 GLY H H 93 8.604 8.604 8.539 0.065 25469 3495 1 6 . 1 1 94 94 LYS N N 94 120.750 120.750 118.880 1.870 25469 3496 1 6 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.470 -0.173 25469 3497 1 6 . 1 1 94 94 LYS C C 94 176.525 176.525 175.266 1.259 25469 3498 1 6 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.253 -0.209 25469 3499 1 6 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.703 -0.678 25469 3500 1 6 . 1 1 94 94 LYS H H 94 8.113 8.113 8.355 -0.242 25469 3501 1 6 . 1 1 95 95 ALA N N 95 124.912 124.912 120.532 4.380 25469 3502 1 6 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.773 -0.474 25469 3503 1 6 . 1 1 95 95 ALA C C 95 178.325 178.325 175.874 2.451 25469 3504 1 6 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.596 1.156 25469 3505 1 6 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.789 -1.649 25469 3506 1 6 . 1 1 95 95 ALA H H 95 8.367 8.367 7.474 0.893 25469 3507 1 6 . 1 1 96 96 GLY N N 96 108.328 108.328 107.828 0.500 25469 3508 1 6 . 1 1 96 96 GLY C C 96 174.096 174.096 174.208 -0.112 25469 3509 1 6 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.184 0.057 25469 3510 1 6 . 1 1 96 96 GLY H H 96 8.390 8.390 8.697 -0.307 25469 3511 1 6 . 1 1 97 97 VAL N N 97 119.774 119.774 118.083 1.691 25469 3512 1 6 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.217 -0.140 25469 3513 1 6 . 1 1 97 97 VAL C C 97 176.156 176.156 175.677 0.479 25469 3514 1 6 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.298 0.001 25469 3515 1 6 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.995 -1.141 25469 3516 1 6 . 1 1 97 97 VAL H H 97 7.925 7.925 7.319 0.606 25469 3517 1 6 . 1 1 98 98 LYS N N 98 126.024 126.024 126.302 -0.278 25469 3518 1 6 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.568 -0.242 25469 3519 1 6 . 1 1 98 98 LYS C C 98 176.427 176.427 175.731 0.696 25469 3520 1 6 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.041 0.060 25469 3521 1 6 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.262 -0.201 25469 3522 1 6 . 1 1 98 98 LYS H H 98 8.473 8.473 8.530 -0.057 25469 3523 1 6 . 1 1 99 99 ARG N N 99 123.644 123.644 119.389 4.255 25469 3524 1 6 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.512 -0.133 25469 3525 1 6 . 1 1 99 99 ARG C C 99 176.231 176.231 176.625 -0.394 25469 3526 1 6 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.121 0.811 25469 3527 1 6 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.018 -0.751 25469 3528 1 6 . 1 1 99 99 ARG H H 99 8.464 8.464 7.608 0.856 25469 3529 1 6 . 1 1 100 100 SER N N 100 117.863 117.863 118.036 -0.173 25469 3530 1 6 . 1 1 100 100 SER HA H 100 4.449 4.449 4.388 0.061 25469 3531 1 6 . 1 1 100 100 SER C C 100 174.556 174.556 175.029 -0.473 25469 3532 1 6 . 1 1 100 100 SER CA C 100 57.985 57.985 59.786 -1.801 25469 3533 1 6 . 1 1 100 100 SER CB C 100 64.167 64.167 63.440 0.727 25469 3534 1 6 . 1 1 100 100 SER H H 100 8.516 8.516 8.619 -0.103 25469 3535 1 6 . 1 1 101 101 ALA N N 101 126.048 126.048 121.014 5.034 25469 3536 1 6 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.042 0.215 25469 3537 1 6 . 1 1 101 101 ALA C C 101 178.047 178.047 176.550 1.497 25469 3538 1 6 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.547 -0.200 25469 3539 1 6 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.085 0.860 25469 3540 1 6 . 1 1 101 101 ALA H H 101 8.538 8.538 8.079 0.459 25469 3541 1 6 . 1 1 102 102 ALA N N 102 121.566 121.566 119.435 2.131 25469 3542 1 6 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.606 -0.381 25469 3543 1 6 . 1 1 102 102 ALA C C 102 178.254 178.254 178.251 0.003 25469 3544 1 6 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.176 0.869 25469 3545 1 6 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.551 -0.508 25469 3546 1 6 . 1 1 102 102 ALA H H 102 8.212 8.212 8.140 0.072 25469 3547 1 6 . 1 1 103 103 GLU N N 103 118.735 118.735 119.039 -0.304 25469 3548 1 6 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.195 0.006 25469 3549 1 6 . 1 1 103 103 GLU C C 103 176.516 176.516 177.085 -0.569 25469 3550 1 6 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.935 -1.279 25469 3551 1 6 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.161 1.066 25469 3552 1 6 . 1 1 103 103 GLU H H 103 8.071 8.071 8.870 -0.799 25469 3553 1 6 . 1 1 104 104 MET N N 104 120.106 120.106 117.107 2.999 25469 3554 1 6 . 1 1 104 104 MET HA H 104 4.326 4.326 4.398 -0.072 25469 3555 1 6 . 1 1 104 104 MET C C 104 175.862 175.862 174.950 0.912 25469 3556 1 6 . 1 1 104 104 MET CA C 104 55.939 55.939 55.751 0.188 25469 3557 1 6 . 1 1 104 104 MET CB C 104 32.999 32.999 32.817 0.182 25469 3558 1 6 . 1 1 104 104 MET H H 104 8.073 8.073 7.961 0.112 25469 3559 1 6 . 1 1 105 105 TYR N N 105 120.285 120.285 116.639 3.646 25469 3560 1 6 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.677 -0.024 25469 3561 1 6 . 1 1 105 105 TYR C C 105 175.319 175.319 175.918 -0.599 25469 3562 1 6 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.764 -0.169 25469 3563 1 6 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.783 -0.844 25469 3564 1 6 . 1 1 105 105 TYR H H 105 8.126 8.126 7.570 0.556 25469 3565 1 7 . 1 1 3 3 SER HA H 3 4.553 4.553 4.557 -0.004 25469 3566 1 7 . 1 1 3 3 SER C C 3 173.408 173.408 175.651 -2.243 25469 3567 1 7 . 1 1 3 3 SER CA C 3 58.273 58.273 56.766 1.507 25469 3568 1 7 . 1 1 3 3 SER CB C 3 63.940 63.940 64.350 -0.410 25469 3569 1 7 . 1 1 4 4 ASN N N 4 120.235 120.235 120.229 0.006 25469 3570 1 7 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.027 0.190 25469 3571 1 7 . 1 1 4 4 ASN C C 4 176.243 176.243 175.157 1.086 25469 3572 1 7 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.517 -0.473 25469 3573 1 7 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.526 0.206 25469 3574 1 7 . 1 1 4 4 ASN H H 4 8.774 8.774 8.657 0.117 25469 3575 1 7 . 1 1 5 5 VAL N N 5 122.554 122.554 120.467 2.087 25469 3576 1 7 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.174 -0.405 25469 3577 1 7 . 1 1 5 5 VAL C C 5 177.223 177.223 175.409 1.814 25469 3578 1 7 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.815 2.996 25469 3579 1 7 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.618 -1.744 25469 3580 1 7 . 1 1 5 5 VAL H H 5 8.315 8.315 7.280 1.035 25469 3581 1 7 . 1 1 6 6 THR N N 6 118.503 118.503 115.035 3.468 25469 3582 1 7 . 1 1 6 6 THR HA H 6 4.678 4.678 4.570 0.108 25469 3583 1 7 . 1 1 6 6 THR C C 6 174.350 174.350 173.636 0.714 25469 3584 1 7 . 1 1 6 6 THR CA C 6 60.560 60.560 61.708 -1.148 25469 3585 1 7 . 1 1 6 6 THR CB C 6 69.833 69.833 69.744 0.089 25469 3586 1 7 . 1 1 6 6 THR H H 6 9.394 9.394 8.368 1.026 25469 3587 1 7 . 1 1 7 7 ASN N N 7 120.872 120.872 117.935 2.937 25469 3588 1 7 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.512 0.044 25469 3589 1 7 . 1 1 7 7 ASN C C 7 176.866 176.866 175.789 1.077 25469 3590 1 7 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.489 -0.592 25469 3591 1 7 . 1 1 7 7 ASN CB C 7 38.082 38.082 37.619 0.463 25469 3592 1 7 . 1 1 7 7 ASN H H 7 7.976 7.976 8.046 -0.070 25469 3593 1 7 . 1 1 8 8 LYS N N 8 121.728 121.728 121.522 0.206 25469 3594 1 7 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.300 -0.044 25469 3595 1 7 . 1 1 8 8 LYS C C 8 180.142 180.142 176.911 3.231 25469 3596 1 7 . 1 1 8 8 LYS CA C 8 58.200 58.200 57.242 0.958 25469 3597 1 7 . 1 1 8 8 LYS CB C 8 32.292 32.292 32.778 -0.486 25469 3598 1 7 . 1 1 8 8 LYS H H 8 8.572 8.572 8.110 0.462 25469 3599 1 7 . 1 1 9 9 THR N N 9 110.858 110.858 113.602 -2.744 25469 3600 1 7 . 1 1 9 9 THR HA H 9 4.463 4.463 4.405 0.058 25469 3601 1 7 . 1 1 9 9 THR C C 9 174.485 174.485 173.712 0.773 25469 3602 1 7 . 1 1 9 9 THR CA C 9 61.246 61.246 60.662 0.584 25469 3603 1 7 . 1 1 9 9 THR CB C 9 69.039 69.039 69.383 -0.344 25469 3604 1 7 . 1 1 9 9 THR H H 9 8.691 8.691 8.519 0.172 25469 3605 1 7 . 1 1 10 10 ASP N N 10 121.014 121.014 124.096 -3.082 25469 3606 1 7 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.725 0.100 25469 3607 1 7 . 1 1 10 10 ASP C C 10 173.946 173.946 176.686 -2.740 25469 3608 1 7 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.439 -0.875 25469 3609 1 7 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.376 -1.775 25469 3610 1 7 . 1 1 10 10 ASP H H 10 7.907 7.907 7.915 -0.008 25469 3611 1 7 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.374 -0.219 25469 3612 1 7 . 1 1 11 11 PRO C C 11 178.421 178.421 176.530 1.891 25469 3613 1 7 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.624 1.617 25469 3614 1 7 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.100 0.098 25469 3615 1 7 . 1 1 12 12 ARG N N 12 116.361 116.361 116.585 -0.224 25469 3616 1 7 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.541 -0.449 25469 3617 1 7 . 1 1 12 12 ARG C C 12 180.446 180.446 177.140 3.306 25469 3618 1 7 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.407 2.128 25469 3619 1 7 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.189 -1.939 25469 3620 1 7 . 1 1 12 12 ARG H H 12 7.940 7.940 8.085 -0.145 25469 3621 1 7 . 1 1 13 13 SER N N 13 119.379 119.379 116.210 3.169 25469 3622 1 7 . 1 1 13 13 SER HA H 13 4.052 4.052 4.510 -0.458 25469 3623 1 7 . 1 1 13 13 SER C C 13 178.762 178.762 175.526 3.236 25469 3624 1 7 . 1 1 13 13 SER CA C 13 61.529 61.529 61.824 -0.295 25469 3625 1 7 . 1 1 13 13 SER CB C 13 61.778 61.778 63.381 -1.603 25469 3626 1 7 . 1 1 13 13 SER H H 13 8.143 8.143 8.187 -0.044 25469 3627 1 7 . 1 1 14 14 MET N N 14 120.327 120.327 115.672 4.655 25469 3628 1 7 . 1 1 14 14 MET HA H 14 4.097 4.097 4.423 -0.327 25469 3629 1 7 . 1 1 14 14 MET C C 14 178.576 178.576 175.349 3.227 25469 3630 1 7 . 1 1 14 14 MET CA C 14 58.293 58.293 57.387 0.906 25469 3631 1 7 . 1 1 14 14 MET CB C 14 31.813 31.813 33.035 -1.222 25469 3632 1 7 . 1 1 14 14 MET H H 14 8.238 8.238 7.772 0.466 25469 3633 1 7 . 1 1 15 15 ASN N N 15 115.378 115.378 116.882 -1.504 25469 3634 1 7 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.829 -0.204 25469 3635 1 7 . 1 1 15 15 ASN C C 15 172.556 172.556 176.611 -4.055 25469 3636 1 7 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.491 -0.462 25469 3637 1 7 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.512 -1.862 25469 3638 1 7 . 1 1 15 15 ASN H H 15 7.968 7.968 7.535 0.433 25469 3639 1 7 . 1 1 16 16 SER N N 16 106.215 106.215 115.111 -8.896 25469 3640 1 7 . 1 1 16 16 SER HA H 16 4.495 4.495 4.648 -0.153 25469 3641 1 7 . 1 1 16 16 SER C C 16 172.121 172.121 173.652 -1.531 25469 3642 1 7 . 1 1 16 16 SER CA C 16 56.785 56.785 59.004 -2.219 25469 3643 1 7 . 1 1 16 16 SER CB C 16 63.428 63.428 63.683 -0.255 25469 3644 1 7 . 1 1 16 16 SER H H 16 7.253 7.253 7.769 -0.516 25469 3645 1 7 . 1 1 17 17 ARG N N 17 123.348 123.348 122.549 0.799 25469 3646 1 7 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.264 0.328 25469 3647 1 7 . 1 1 17 17 ARG C C 17 174.491 174.491 174.544 -0.053 25469 3648 1 7 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.583 -1.204 25469 3649 1 7 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.281 -0.372 25469 3650 1 7 . 1 1 17 17 ARG H H 17 7.405 7.405 7.491 -0.086 25469 3651 1 7 . 1 1 18 18 VAL N N 18 122.328 122.328 122.613 -0.285 25469 3652 1 7 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.619 0.090 25469 3653 1 7 . 1 1 18 18 VAL C C 18 174.863 174.863 174.282 0.581 25469 3654 1 7 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.575 -0.918 25469 3655 1 7 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.148 -0.846 25469 3656 1 7 . 1 1 18 18 VAL H H 18 9.260 9.260 8.997 0.263 25469 3657 1 7 . 1 1 19 19 PHE N N 19 126.010 126.010 128.585 -2.575 25469 3658 1 7 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.336 0.130 25469 3659 1 7 . 1 1 19 19 PHE C C 19 171.967 171.967 173.743 -1.776 25469 3660 1 7 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.298 1.811 25469 3661 1 7 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.412 -0.389 25469 3662 1 7 . 1 1 19 19 PHE H H 19 9.159 9.159 9.263 -0.104 25469 3663 1 7 . 1 1 20 20 ILE N N 20 126.422 126.422 127.323 -0.901 25469 3664 1 7 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.081 -0.220 25469 3665 1 7 . 1 1 20 20 ILE C C 20 173.050 173.050 174.328 -1.278 25469 3666 1 7 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.937 -0.589 25469 3667 1 7 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.245 0.955 25469 3668 1 7 . 1 1 20 20 ILE H H 20 7.716 7.716 8.365 -0.649 25469 3669 1 7 . 1 1 21 21 GLY N N 21 113.182 113.182 111.598 1.584 25469 3670 1 7 . 1 1 21 21 GLY C C 21 173.769 173.769 173.932 -0.163 25469 3671 1 7 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.204 0.656 25469 3672 1 7 . 1 1 21 21 GLY H H 21 8.550 8.550 8.049 0.501 25469 3673 1 7 . 1 1 22 22 ASN N N 22 116.072 116.072 115.648 0.424 25469 3674 1 7 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.341 0.006 25469 3675 1 7 . 1 1 22 22 ASN C C 22 174.205 174.205 173.913 0.292 25469 3676 1 7 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.686 -0.253 25469 3677 1 7 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.717 1.109 25469 3678 1 7 . 1 1 22 22 ASN H H 22 7.291 7.291 8.592 -1.301 25469 3679 1 7 . 1 1 23 23 LEU N N 23 118.873 118.873 118.922 -0.049 25469 3680 1 7 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.658 -0.730 25469 3681 1 7 . 1 1 23 23 LEU C C 23 176.551 176.551 176.291 0.260 25469 3682 1 7 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.535 -0.870 25469 3683 1 7 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.160 0.189 25469 3684 1 7 . 1 1 23 23 LEU H H 23 7.279 7.279 7.869 -0.590 25469 3685 1 7 . 1 1 24 24 ASN N N 24 124.260 124.260 123.936 0.324 25469 3686 1 7 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.507 0.252 25469 3687 1 7 . 1 1 24 24 ASN C C 24 175.831 175.831 175.960 -0.129 25469 3688 1 7 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.399 -3.759 25469 3689 1 7 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.631 -3.076 25469 3690 1 7 . 1 1 24 24 ASN H H 24 9.075 9.075 8.797 0.278 25469 3691 1 7 . 1 1 25 25 THR N N 25 118.101 118.101 105.254 12.847 25469 3692 1 7 . 1 1 25 25 THR HA H 25 4.377 4.377 4.012 0.365 25469 3693 1 7 . 1 1 25 25 THR C C 25 175.286 175.286 174.128 1.158 25469 3694 1 7 . 1 1 25 25 THR CA C 25 63.324 63.324 63.666 -0.342 25469 3695 1 7 . 1 1 25 25 THR CB C 25 67.439 67.439 67.565 -0.126 25469 3696 1 7 . 1 1 25 25 THR H H 25 8.226 8.226 8.090 0.136 25469 3697 1 7 . 1 1 26 26 LEU N N 26 121.285 121.285 119.536 1.749 25469 3698 1 7 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.385 -0.074 25469 3699 1 7 . 1 1 26 26 LEU C C 26 178.244 178.244 177.663 0.581 25469 3700 1 7 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.962 0.352 25469 3701 1 7 . 1 1 26 26 LEU CB C 26 41.328 41.328 41.644 -0.316 25469 3702 1 7 . 1 1 26 26 LEU H H 26 7.670 7.670 8.070 -0.400 25469 3703 1 7 . 1 1 27 27 VAL N N 27 114.562 114.562 116.467 -1.905 25469 3704 1 7 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.247 -0.200 25469 3705 1 7 . 1 1 27 27 VAL C C 27 175.200 175.200 176.026 -0.826 25469 3706 1 7 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.766 0.265 25469 3707 1 7 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.265 1.917 25469 3708 1 7 . 1 1 27 27 VAL H H 27 6.790 6.790 7.530 -0.740 25469 3709 1 7 . 1 1 28 28 VAL N N 28 121.996 121.996 121.456 0.540 25469 3710 1 7 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.213 -0.354 25469 3711 1 7 . 1 1 28 28 VAL C C 28 174.352 174.352 174.712 -0.360 25469 3712 1 7 . 1 1 28 28 VAL CA C 28 63.192 63.192 60.703 2.489 25469 3713 1 7 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.055 -1.114 25469 3714 1 7 . 1 1 28 28 VAL H H 28 8.276 8.276 7.724 0.552 25469 3715 1 7 . 1 1 29 29 LYS N N 29 124.228 124.228 124.538 -0.310 25469 3716 1 7 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.731 -0.129 25469 3717 1 7 . 1 1 29 29 LYS C C 29 177.959 177.959 176.567 1.392 25469 3718 1 7 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.815 -1.169 25469 3719 1 7 . 1 1 29 29 LYS CB C 29 34.395 34.395 36.005 -1.610 25469 3720 1 7 . 1 1 29 29 LYS H H 29 8.925 8.925 8.145 0.780 25469 3721 1 7 . 1 1 30 30 LYS N N 30 123.350 123.350 121.024 2.326 25469 3722 1 7 . 1 1 30 30 LYS HA H 30 3.654 3.654 3.949 -0.295 25469 3723 1 7 . 1 1 30 30 LYS C C 30 177.639 177.639 177.088 0.551 25469 3724 1 7 . 1 1 30 30 LYS CA C 30 61.400 61.400 59.137 2.263 25469 3725 1 7 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.951 0.698 25469 3726 1 7 . 1 1 30 30 LYS H H 30 8.993 8.993 8.634 0.359 25469 3727 1 7 . 1 1 31 31 SER N N 31 111.465 111.465 111.220 0.245 25469 3728 1 7 . 1 1 31 31 SER HA H 31 4.167 4.167 4.721 -0.554 25469 3729 1 7 . 1 1 31 31 SER C C 31 177.617 177.617 175.171 2.446 25469 3730 1 7 . 1 1 31 31 SER CA C 31 61.389 61.389 58.702 2.687 25469 3731 1 7 . 1 1 31 31 SER CB C 31 61.533 61.533 63.546 -2.013 25469 3732 1 7 . 1 1 31 31 SER H H 31 8.669 8.669 8.095 0.574 25469 3733 1 7 . 1 1 32 32 ASP N N 32 122.187 122.187 122.743 -0.556 25469 3734 1 7 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.794 -0.274 25469 3735 1 7 . 1 1 32 32 ASP C C 32 178.194 178.194 178.666 -0.472 25469 3736 1 7 . 1 1 32 32 ASP CA C 32 57.188 57.188 56.195 0.993 25469 3737 1 7 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.016 -0.169 25469 3738 1 7 . 1 1 32 32 ASP H H 32 7.141 7.141 8.062 -0.921 25469 3739 1 7 . 1 1 33 33 VAL N N 33 120.138 120.138 120.369 -0.231 25469 3740 1 7 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.889 -0.428 25469 3741 1 7 . 1 1 33 33 VAL C C 33 178.624 178.624 176.654 1.970 25469 3742 1 7 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.523 0.851 25469 3743 1 7 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.819 -0.534 25469 3744 1 7 . 1 1 33 33 VAL H H 33 7.956 7.956 8.302 -0.346 25469 3745 1 7 . 1 1 34 34 GLU N N 34 118.717 118.717 116.136 2.581 25469 3746 1 7 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.245 -0.491 25469 3747 1 7 . 1 1 34 34 GLU C C 34 178.701 178.701 176.064 2.637 25469 3748 1 7 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.202 3.303 25469 3749 1 7 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.760 0.584 25469 3750 1 7 . 1 1 34 34 GLU H H 34 8.637 8.637 8.275 0.362 25469 3751 1 7 . 1 1 35 35 ALA N N 35 121.541 121.541 120.207 1.334 25469 3752 1 7 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.497 -0.348 25469 3753 1 7 . 1 1 35 35 ALA C C 35 180.483 180.483 177.594 2.889 25469 3754 1 7 . 1 1 35 35 ALA CA C 35 55.516 55.516 53.094 2.422 25469 3755 1 7 . 1 1 35 35 ALA CB C 35 18.048 18.048 19.819 -1.771 25469 3756 1 7 . 1 1 35 35 ALA H H 35 7.823 7.823 7.985 -0.162 25469 3757 1 7 . 1 1 36 36 ILE N N 36 117.449 117.449 117.306 0.143 25469 3758 1 7 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.131 -0.468 25469 3759 1 7 . 1 1 36 36 ILE C C 36 178.665 178.665 176.336 2.329 25469 3760 1 7 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.729 2.082 25469 3761 1 7 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.536 0.254 25469 3762 1 7 . 1 1 36 36 ILE H H 36 7.773 7.773 7.612 0.161 25469 3763 1 7 . 1 1 37 37 PHE N N 37 113.524 113.524 117.576 -4.052 25469 3764 1 7 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.959 -0.601 25469 3765 1 7 . 1 1 37 37 PHE C C 37 179.593 179.593 177.639 1.954 25469 3766 1 7 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.304 3.376 25469 3767 1 7 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.342 -3.132 25469 3768 1 7 . 1 1 37 37 PHE H H 37 8.566 8.566 8.235 0.331 25469 3769 1 7 . 1 1 38 38 SER N N 38 122.025 122.025 115.038 6.987 25469 3770 1 7 . 1 1 38 38 SER HA H 38 4.821 4.821 4.706 0.115 25469 3771 1 7 . 1 1 38 38 SER C C 38 175.439 175.439 175.409 0.030 25469 3772 1 7 . 1 1 38 38 SER CA C 38 61.519 61.519 59.760 1.759 25469 3773 1 7 . 1 1 38 38 SER CB C 38 62.765 62.765 62.876 -0.111 25469 3774 1 7 . 1 1 38 38 SER H H 38 8.834 8.834 8.539 0.295 25469 3775 1 7 . 1 1 39 39 LYS N N 39 119.387 119.387 117.811 1.576 25469 3776 1 7 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.075 -0.114 25469 3777 1 7 . 1 1 39 39 LYS C C 39 177.064 177.064 176.321 0.743 25469 3778 1 7 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.563 0.716 25469 3779 1 7 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.535 0.051 25469 3780 1 7 . 1 1 39 39 LYS H H 39 7.054 7.054 7.983 -0.929 25469 3781 1 7 . 1 1 40 40 TYR N N 40 114.433 114.433 118.636 -4.203 25469 3782 1 7 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.593 -0.316 25469 3783 1 7 . 1 1 40 40 TYR C C 40 174.842 174.842 174.939 -0.097 25469 3784 1 7 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.920 0.930 25469 3785 1 7 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.014 -1.587 25469 3786 1 7 . 1 1 40 40 TYR H H 40 6.956 6.956 7.403 -0.447 25469 3787 1 7 . 1 1 41 41 GLY N N 41 106.514 106.514 103.882 2.632 25469 3788 1 7 . 1 1 41 41 GLY C C 41 170.573 170.573 171.818 -1.245 25469 3789 1 7 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.884 -0.328 25469 3790 1 7 . 1 1 41 41 GLY H H 41 7.428 7.428 7.378 0.050 25469 3791 1 7 . 1 1 42 42 LYS N N 42 117.788 117.788 122.077 -4.289 25469 3792 1 7 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.319 -0.122 25469 3793 1 7 . 1 1 42 42 LYS C C 42 176.536 176.536 176.046 0.490 25469 3794 1 7 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.649 0.487 25469 3795 1 7 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.754 0.213 25469 3796 1 7 . 1 1 42 42 LYS H H 42 8.034 8.034 8.477 -0.443 25469 3797 1 7 . 1 1 43 43 ILE N N 43 127.104 127.104 127.213 -0.109 25469 3798 1 7 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.485 -0.461 25469 3799 1 7 . 1 1 43 43 ILE C C 43 176.993 176.993 176.677 0.316 25469 3800 1 7 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.681 -0.301 25469 3801 1 7 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.501 0.412 25469 3802 1 7 . 1 1 43 43 ILE H H 43 8.711 8.711 8.710 0.001 25469 3803 1 7 . 1 1 44 44 VAL N N 44 121.993 121.993 119.372 2.621 25469 3804 1 7 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.532 -0.168 25469 3805 1 7 . 1 1 44 44 VAL C C 44 176.853 176.853 175.616 1.237 25469 3806 1 7 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.208 0.650 25469 3807 1 7 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.224 -0.672 25469 3808 1 7 . 1 1 44 44 VAL H H 44 8.711 8.711 8.859 -0.148 25469 3809 1 7 . 1 1 45 45 GLY N N 45 109.507 109.507 108.144 1.363 25469 3810 1 7 . 1 1 45 45 GLY C C 45 171.266 171.266 171.871 -0.605 25469 3811 1 7 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.697 -0.688 25469 3812 1 7 . 1 1 45 45 GLY H H 45 7.530 7.530 7.547 -0.017 25469 3813 1 7 . 1 1 46 46 CYS N N 46 124.546 124.546 118.400 6.146 25469 3814 1 7 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.582 -0.551 25469 3815 1 7 . 1 1 46 46 CYS C C 46 172.073 172.073 172.517 -0.444 25469 3816 1 7 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.270 1.693 25469 3817 1 7 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.474 -3.132 25469 3818 1 7 . 1 1 46 46 CYS H H 46 8.982 8.982 9.317 -0.335 25469 3819 1 7 . 1 1 47 47 SER N N 47 122.933 122.933 115.419 7.514 25469 3820 1 7 . 1 1 47 47 SER HA H 47 4.908 4.908 4.708 0.200 25469 3821 1 7 . 1 1 47 47 SER C C 47 171.849 171.849 172.066 -0.217 25469 3822 1 7 . 1 1 47 47 SER CA C 47 56.585 56.585 57.597 -1.012 25469 3823 1 7 . 1 1 47 47 SER CB C 47 65.733 65.733 65.656 0.077 25469 3824 1 7 . 1 1 47 47 SER H H 47 8.569 8.569 8.994 -0.425 25469 3825 1 7 . 1 1 48 48 VAL N N 48 121.588 121.588 122.637 -1.049 25469 3826 1 7 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.293 -0.155 25469 3827 1 7 . 1 1 48 48 VAL C C 48 173.991 173.991 174.979 -0.988 25469 3828 1 7 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.976 1.334 25469 3829 1 7 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.783 -0.859 25469 3830 1 7 . 1 1 48 48 VAL H H 48 8.565 8.565 8.488 0.077 25469 3831 1 7 . 1 1 49 49 HIS N N 49 130.308 130.308 124.020 6.288 25469 3832 1 7 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.707 -0.275 25469 3833 1 7 . 1 1 49 49 HIS C C 49 173.950 173.950 173.609 0.341 25469 3834 1 7 . 1 1 49 49 HIS CA C 49 54.651 54.651 53.807 0.844 25469 3835 1 7 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.415 -0.862 25469 3836 1 7 . 1 1 49 49 HIS H H 49 8.441 8.441 8.791 -0.350 25469 3837 1 7 . 1 1 50 50 LYS N N 50 121.937 121.937 120.196 1.741 25469 3838 1 7 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.980 0.480 25469 3839 1 7 . 1 1 50 50 LYS C C 50 175.528 175.528 177.162 -1.634 25469 3840 1 7 . 1 1 50 50 LYS CA C 50 56.289 56.289 57.034 -0.745 25469 3841 1 7 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.114 -1.636 25469 3842 1 7 . 1 1 50 50 LYS H H 50 7.926 7.926 8.259 -0.333 25469 3843 1 7 . 1 1 51 51 GLY N N 51 114.868 114.868 111.295 3.573 25469 3844 1 7 . 1 1 51 51 GLY C C 51 174.253 174.253 173.210 1.043 25469 3845 1 7 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.022 -0.502 25469 3846 1 7 . 1 1 51 51 GLY H H 51 8.644 8.644 8.488 0.156 25469 3847 1 7 . 1 1 52 52 PHE N N 52 112.790 112.790 115.244 -2.454 25469 3848 1 7 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.632 -0.384 25469 3849 1 7 . 1 1 52 52 PHE C C 52 171.606 171.606 172.910 -1.304 25469 3850 1 7 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.296 0.934 25469 3851 1 7 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.529 -0.484 25469 3852 1 7 . 1 1 52 52 PHE H H 52 7.005 7.005 7.191 -0.186 25469 3853 1 7 . 1 1 53 53 ALA N N 53 119.858 119.858 119.399 0.459 25469 3854 1 7 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.953 -0.118 25469 3855 1 7 . 1 1 53 53 ALA C C 53 173.030 173.030 174.621 -1.591 25469 3856 1 7 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.022 -0.676 25469 3857 1 7 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.533 2.200 25469 3858 1 7 . 1 1 53 53 ALA H H 53 8.724 8.724 8.538 0.186 25469 3859 1 7 . 1 1 54 54 PHE N N 54 112.158 112.158 116.179 -4.021 25469 3860 1 7 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.660 -0.080 25469 3861 1 7 . 1 1 54 54 PHE C C 54 175.765 175.765 174.120 1.645 25469 3862 1 7 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.102 -0.499 25469 3863 1 7 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.512 -0.218 25469 3864 1 7 . 1 1 54 54 PHE H H 54 8.764 8.764 9.122 -0.358 25469 3865 1 7 . 1 1 55 55 VAL N N 55 118.628 118.628 120.939 -2.311 25469 3866 1 7 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.504 -0.292 25469 3867 1 7 . 1 1 55 55 VAL C C 55 172.807 172.807 173.689 -0.882 25469 3868 1 7 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.010 0.867 25469 3869 1 7 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.746 -0.793 25469 3870 1 7 . 1 1 55 55 VAL H H 55 8.310 8.310 8.932 -0.622 25469 3871 1 7 . 1 1 56 56 GLN N N 56 128.402 128.402 124.393 4.009 25469 3872 1 7 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.753 -0.188 25469 3873 1 7 . 1 1 56 56 GLN C C 56 173.894 173.894 174.189 -0.295 25469 3874 1 7 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.861 0.352 25469 3875 1 7 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.850 0.256 25469 3876 1 7 . 1 1 56 56 GLN H H 56 9.253 9.253 8.837 0.416 25469 3877 1 7 . 1 1 57 57 TYR N N 57 127.617 127.617 124.111 3.506 25469 3878 1 7 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.394 -0.113 25469 3879 1 7 . 1 1 57 57 TYR C C 57 175.610 175.610 176.947 -1.337 25469 3880 1 7 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.435 2.256 25469 3881 1 7 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.988 -0.919 25469 3882 1 7 . 1 1 57 57 TYR H H 57 8.919 8.919 8.993 -0.074 25469 3883 1 7 . 1 1 58 58 VAL N N 58 116.705 116.705 118.832 -2.127 25469 3884 1 7 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.872 0.241 25469 3885 1 7 . 1 1 58 58 VAL C C 58 175.860 175.860 175.768 0.092 25469 3886 1 7 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.452 -0.423 25469 3887 1 7 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.160 0.889 25469 3888 1 7 . 1 1 58 58 VAL H H 58 9.458 9.458 8.778 0.680 25469 3889 1 7 . 1 1 59 59 ASN N N 59 112.563 112.563 113.612 -1.049 25469 3890 1 7 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.839 0.311 25469 3891 1 7 . 1 1 59 59 ASN C C 59 174.483 174.483 174.648 -0.165 25469 3892 1 7 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.387 -0.435 25469 3893 1 7 . 1 1 59 59 ASN CB C 59 42.177 42.177 39.916 2.261 25469 3894 1 7 . 1 1 59 59 ASN H H 59 7.230 7.230 7.411 -0.181 25469 3895 1 7 . 1 1 60 60 GLU N N 60 124.320 124.320 119.714 4.606 25469 3896 1 7 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.208 0.107 25469 3897 1 7 . 1 1 60 60 GLU C C 60 178.202 178.202 177.823 0.379 25469 3898 1 7 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.466 -0.685 25469 3899 1 7 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.724 0.654 25469 3900 1 7 . 1 1 60 60 GLU H H 60 8.807 8.807 8.899 -0.092 25469 3901 1 7 . 1 1 61 61 ARG N N 61 118.347 118.347 119.069 -0.722 25469 3902 1 7 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.028 -0.038 25469 3903 1 7 . 1 1 61 61 ARG C C 61 179.341 179.341 178.506 0.835 25469 3904 1 7 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.600 0.867 25469 3905 1 7 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.744 -0.343 25469 3906 1 7 . 1 1 61 61 ARG H H 61 8.620 8.620 8.319 0.301 25469 3907 1 7 . 1 1 62 62 ASN N N 62 118.085 118.085 117.161 0.924 25469 3908 1 7 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.321 -0.044 25469 3909 1 7 . 1 1 62 62 ASN C C 62 174.852 174.852 176.519 -1.667 25469 3910 1 7 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.181 0.284 25469 3911 1 7 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.175 0.833 25469 3912 1 7 . 1 1 62 62 ASN H H 62 7.781 7.781 7.947 -0.166 25469 3913 1 7 . 1 1 63 63 ALA N N 63 119.580 119.580 123.057 -3.477 25469 3914 1 7 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.428 -0.680 25469 3915 1 7 . 1 1 63 63 ALA C C 63 178.862 178.862 179.346 -0.484 25469 3916 1 7 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.774 0.187 25469 3917 1 7 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.745 -0.204 25469 3918 1 7 . 1 1 63 63 ALA H H 63 6.775 6.775 7.301 -0.526 25469 3919 1 7 . 1 1 64 64 ARG N N 64 114.991 114.991 118.347 -3.356 25469 3920 1 7 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.154 -0.314 25469 3921 1 7 . 1 1 64 64 ARG C C 64 179.776 179.776 178.634 1.142 25469 3922 1 7 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.927 2.255 25469 3923 1 7 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.675 -0.428 25469 3924 1 7 . 1 1 64 64 ARG H H 64 8.737 8.737 8.427 0.310 25469 3925 1 7 . 1 1 65 65 ALA N N 65 123.698 123.698 121.367 2.331 25469 3926 1 7 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.285 -0.158 25469 3927 1 7 . 1 1 65 65 ALA C C 65 179.561 179.561 178.518 1.043 25469 3928 1 7 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.501 0.447 25469 3929 1 7 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.345 -0.454 25469 3930 1 7 . 1 1 65 65 ALA H H 65 7.820 7.820 7.562 0.258 25469 3931 1 7 . 1 1 66 66 ALA N N 66 123.811 123.811 120.068 3.743 25469 3932 1 7 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.661 -1.594 25469 3933 1 7 . 1 1 66 66 ALA C C 66 179.260 179.260 179.210 0.050 25469 3934 1 7 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.382 -0.073 25469 3935 1 7 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.122 0.186 25469 3936 1 7 . 1 1 66 66 ALA H H 66 7.538 7.538 7.403 0.135 25469 3937 1 7 . 1 1 67 67 VAL N N 67 116.571 116.571 118.396 -1.825 25469 3938 1 7 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.693 -0.338 25469 3939 1 7 . 1 1 67 67 VAL C C 67 177.744 177.744 177.533 0.211 25469 3940 1 7 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.793 -0.263 25469 3941 1 7 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.670 0.297 25469 3942 1 7 . 1 1 67 67 VAL H H 67 7.612 7.612 8.303 -0.691 25469 3943 1 7 . 1 1 68 68 ALA N N 68 118.239 118.239 120.165 -1.926 25469 3944 1 7 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.304 -0.183 25469 3945 1 7 . 1 1 68 68 ALA C C 68 180.749 180.749 178.155 2.594 25469 3946 1 7 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.483 0.869 25469 3947 1 7 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.686 -0.589 25469 3948 1 7 . 1 1 68 68 ALA H H 68 7.549 7.549 7.547 0.002 25469 3949 1 7 . 1 1 69 69 GLY N N 69 103.748 103.748 105.225 -1.477 25469 3950 1 7 . 1 1 69 69 GLY C C 69 175.627 175.627 174.947 0.680 25469 3951 1 7 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.045 1.041 25469 3952 1 7 . 1 1 69 69 GLY H H 69 8.135 8.135 7.312 0.823 25469 3953 1 7 . 1 1 70 70 GLU N N 70 114.571 114.571 116.354 -1.783 25469 3954 1 7 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.372 0.260 25469 3955 1 7 . 1 1 70 70 GLU C C 70 176.392 176.392 175.054 1.338 25469 3956 1 7 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.896 -0.698 25469 3957 1 7 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.914 -0.542 25469 3958 1 7 . 1 1 70 70 GLU H H 70 7.653 7.653 7.590 0.063 25469 3959 1 7 . 1 1 71 71 ASP N N 71 118.127 118.127 121.118 -2.991 25469 3960 1 7 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.355 -0.070 25469 3961 1 7 . 1 1 71 71 ASP C C 71 178.699 178.699 177.055 1.644 25469 3962 1 7 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.017 1.525 25469 3963 1 7 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.224 1.146 25469 3964 1 7 . 1 1 71 71 ASP H H 71 8.026 8.026 7.570 0.456 25469 3965 1 7 . 1 1 72 72 GLY N N 72 114.353 114.353 113.786 0.567 25469 3966 1 7 . 1 1 72 72 GLY C C 72 173.792 173.792 174.370 -0.578 25469 3967 1 7 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.135 0.624 25469 3968 1 7 . 1 1 72 72 GLY H H 72 8.292 8.292 8.168 0.124 25469 3969 1 7 . 1 1 73 73 ARG N N 73 121.996 121.996 118.769 3.227 25469 3970 1 7 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.428 -0.242 25469 3971 1 7 . 1 1 73 73 ARG C C 73 175.188 175.188 174.757 0.431 25469 3972 1 7 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.921 1.555 25469 3973 1 7 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.205 0.114 25469 3974 1 7 . 1 1 73 73 ARG H H 73 7.981 7.981 7.898 0.083 25469 3975 1 7 . 1 1 74 74 MET N N 74 125.120 125.120 120.573 4.547 25469 3976 1 7 . 1 1 74 74 MET HA H 74 4.795 4.795 4.660 0.135 25469 3977 1 7 . 1 1 74 74 MET C C 74 175.727 175.727 174.830 0.897 25469 3978 1 7 . 1 1 74 74 MET CA C 74 55.054 55.054 54.620 0.435 25469 3979 1 7 . 1 1 74 74 MET CB C 74 33.076 33.076 34.370 -1.294 25469 3980 1 7 . 1 1 74 74 MET H H 74 8.710 8.710 8.301 0.409 25469 3981 1 7 . 1 1 75 75 ILE N N 75 127.530 127.530 125.808 1.722 25469 3982 1 7 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.425 -0.038 25469 3983 1 7 . 1 1 75 75 ILE C C 75 175.277 175.277 175.625 -0.348 25469 3984 1 7 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.568 -0.837 25469 3985 1 7 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.351 -0.944 25469 3986 1 7 . 1 1 75 75 ILE H H 75 8.583 8.583 8.764 -0.181 25469 3987 1 7 . 1 1 76 76 ALA N N 76 132.166 132.166 130.169 1.997 25469 3988 1 7 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 3989 1 7 . 1 1 76 76 ALA C C 76 177.206 177.206 177.707 -0.501 25469 3990 1 7 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.240 -0.368 25469 3991 1 7 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.346 -0.098 25469 3992 1 7 . 1 1 76 76 ALA H H 76 9.540 9.540 9.045 0.495 25469 3993 1 7 . 1 1 77 77 GLY N N 77 101.685 101.685 102.814 -1.129 25469 3994 1 7 . 1 1 77 77 GLY C C 77 174.206 174.206 173.881 0.325 25469 3995 1 7 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.873 0.894 25469 3996 1 7 . 1 1 77 77 GLY H H 77 8.446 8.446 8.344 0.102 25469 3997 1 7 . 1 1 78 78 GLN N N 78 118.947 118.947 120.148 -1.201 25469 3998 1 7 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.655 0.076 25469 3999 1 7 . 1 1 78 78 GLN C C 78 174.047 174.047 174.829 -0.782 25469 4000 1 7 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.439 -0.178 25469 4001 1 7 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.672 0.431 25469 4002 1 7 . 1 1 78 78 GLN H H 78 7.708 7.708 8.107 -0.399 25469 4003 1 7 . 1 1 79 79 VAL N N 79 123.383 123.383 126.923 -3.540 25469 4004 1 7 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.470 -0.456 25469 4005 1 7 . 1 1 79 79 VAL C C 79 176.348 176.348 176.335 0.013 25469 4006 1 7 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.643 -0.975 25469 4007 1 7 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.286 -0.157 25469 4008 1 7 . 1 1 79 79 VAL H H 79 8.570 8.570 8.535 0.035 25469 4009 1 7 . 1 1 80 80 LEU N N 80 128.544 128.544 127.038 1.506 25469 4010 1 7 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.691 -0.383 25469 4011 1 7 . 1 1 80 80 LEU C C 80 176.522 176.522 176.350 0.172 25469 4012 1 7 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.388 2.514 25469 4013 1 7 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.903 -1.004 25469 4014 1 7 . 1 1 80 80 LEU H H 80 9.002 9.002 8.475 0.527 25469 4015 1 7 . 1 1 81 81 ASP N N 81 124.135 124.135 121.949 2.186 25469 4016 1 7 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.290 -0.069 25469 4017 1 7 . 1 1 81 81 ASP C C 81 174.660 174.660 174.981 -0.321 25469 4018 1 7 . 1 1 81 81 ASP CA C 81 52.987 52.987 54.027 -1.040 25469 4019 1 7 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.282 0.485 25469 4020 1 7 . 1 1 81 81 ASP H H 81 7.718 7.718 8.331 -0.613 25469 4021 1 7 . 1 1 82 82 ILE N N 82 123.344 123.344 123.213 0.131 25469 4022 1 7 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.784 0.613 25469 4023 1 7 . 1 1 82 82 ILE C C 82 174.521 174.521 174.866 -0.345 25469 4024 1 7 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.798 -0.664 25469 4025 1 7 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.670 0.297 25469 4026 1 7 . 1 1 82 82 ILE H H 82 9.071 9.071 8.831 0.240 25469 4027 1 7 . 1 1 83 83 ASN N N 83 116.447 116.447 123.398 -6.951 25469 4028 1 7 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.993 -0.151 25469 4029 1 7 . 1 1 83 83 ASN C C 83 174.566 174.566 173.416 1.150 25469 4030 1 7 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.967 1.161 25469 4031 1 7 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.228 0.846 25469 4032 1 7 . 1 1 83 83 ASN H H 83 8.494 8.494 8.687 -0.193 25469 4033 1 7 . 1 1 84 84 LEU N N 84 123.786 123.786 124.344 -0.558 25469 4034 1 7 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.360 0.360 25469 4035 1 7 . 1 1 84 84 LEU C C 84 180.969 180.969 178.014 2.955 25469 4036 1 7 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.819 0.538 25469 4037 1 7 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.234 -0.916 25469 4038 1 7 . 1 1 84 84 LEU H H 84 9.414 9.414 8.806 0.608 25469 4039 1 7 . 1 1 85 85 ALA N N 85 127.577 127.577 129.346 -1.769 25469 4040 1 7 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.250 -0.202 25469 4041 1 7 . 1 1 85 85 ALA C C 85 177.932 177.932 176.659 1.273 25469 4042 1 7 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.422 1.927 25469 4043 1 7 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.006 -1.019 25469 4044 1 7 . 1 1 85 85 ALA H H 85 9.279 9.279 8.196 1.083 25469 4045 1 7 . 1 1 86 86 ALA N N 86 116.071 116.071 117.170 -1.099 25469 4046 1 7 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.403 0.008 25469 4047 1 7 . 1 1 86 86 ALA C C 86 176.153 176.153 176.567 -0.414 25469 4048 1 7 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.011 -0.282 25469 4049 1 7 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.348 -0.038 25469 4050 1 7 . 1 1 86 86 ALA H H 86 8.687 8.687 8.017 0.670 25469 4051 1 7 . 1 1 87 87 GLU N N 87 118.959 118.959 119.613 -0.654 25469 4052 1 7 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.696 0.040 25469 4053 1 7 . 1 1 87 87 GLU C C 87 171.677 171.677 173.724 -2.047 25469 4054 1 7 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.096 0.076 25469 4055 1 7 . 1 1 87 87 GLU CB C 87 29.973 29.973 29.932 0.041 25469 4056 1 7 . 1 1 87 87 GLU H H 87 7.901 7.901 8.111 -0.210 25469 4057 1 7 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.478 -0.135 25469 4058 1 7 . 1 1 88 88 PRO C C 88 177.303 177.303 175.778 1.525 25469 4059 1 7 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.664 -0.746 25469 4060 1 7 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.783 -0.885 25469 4061 1 7 . 1 1 89 89 LYS N N 89 121.298 121.298 124.440 -3.142 25469 4062 1 7 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.390 -0.163 25469 4063 1 7 . 1 1 89 89 LYS C C 89 177.690 177.690 175.885 1.805 25469 4064 1 7 . 1 1 89 89 LYS CA C 89 56.802 56.802 56.350 0.452 25469 4065 1 7 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.867 0.637 25469 4066 1 7 . 1 1 89 89 LYS H H 89 7.973 7.973 8.685 -0.712 25469 4067 1 7 . 1 1 90 90 VAL N N 90 120.788 120.788 114.367 6.421 25469 4068 1 7 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.370 -0.441 25469 4069 1 7 . 1 1 90 90 VAL C C 90 176.170 176.170 175.731 0.439 25469 4070 1 7 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.226 0.991 25469 4071 1 7 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.679 -0.333 25469 4072 1 7 . 1 1 90 90 VAL H H 90 8.216 8.216 8.027 0.189 25469 4073 1 7 . 1 1 91 91 ASN N N 91 119.438 119.438 119.697 -0.259 25469 4074 1 7 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.615 0.044 25469 4075 1 7 . 1 1 91 91 ASN C C 91 175.173 175.173 174.000 1.173 25469 4076 1 7 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.954 -0.917 25469 4077 1 7 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.371 -0.204 25469 4078 1 7 . 1 1 91 91 ASN H H 91 8.451 8.451 8.558 -0.107 25469 4079 1 7 . 1 1 92 92 ARG N N 92 120.958 120.958 119.665 1.293 25469 4080 1 7 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.561 -0.324 25469 4081 1 7 . 1 1 92 92 ARG C C 92 177.002 177.002 175.403 1.599 25469 4082 1 7 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.476 1.168 25469 4083 1 7 . 1 1 92 92 ARG CB C 92 30.526 30.526 31.758 -1.232 25469 4084 1 7 . 1 1 92 92 ARG H H 92 7.978 7.978 7.647 0.331 25469 4085 1 7 . 1 1 93 93 GLY N N 93 110.275 110.275 111.746 -1.471 25469 4086 1 7 . 1 1 93 93 GLY C C 93 174.246 174.246 173.461 0.785 25469 4087 1 7 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.293 0.091 25469 4088 1 7 . 1 1 93 93 GLY H H 93 8.604 8.604 8.576 0.028 25469 4089 1 7 . 1 1 94 94 LYS N N 94 120.750 120.750 119.554 1.196 25469 4090 1 7 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.734 -0.437 25469 4091 1 7 . 1 1 94 94 LYS C C 94 176.525 176.525 175.660 0.865 25469 4092 1 7 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.117 -0.073 25469 4093 1 7 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.678 -0.653 25469 4094 1 7 . 1 1 94 94 LYS H H 94 8.113 8.113 8.628 -0.515 25469 4095 1 7 . 1 1 95 95 ALA N N 95 124.912 124.912 121.711 3.201 25469 4096 1 7 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.657 -0.358 25469 4097 1 7 . 1 1 95 95 ALA C C 95 178.325 178.325 176.978 1.347 25469 4098 1 7 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.736 1.016 25469 4099 1 7 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.088 -1.948 25469 4100 1 7 . 1 1 95 95 ALA H H 95 8.367 8.367 7.654 0.713 25469 4101 1 7 . 1 1 96 96 GLY N N 96 108.328 108.328 107.144 1.184 25469 4102 1 7 . 1 1 96 96 GLY C C 96 174.096 174.096 174.810 -0.714 25469 4103 1 7 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.544 -0.303 25469 4104 1 7 . 1 1 96 96 GLY H H 96 8.390 8.390 8.545 -0.155 25469 4105 1 7 . 1 1 97 97 VAL N N 97 119.774 119.774 119.441 0.333 25469 4106 1 7 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.276 -0.199 25469 4107 1 7 . 1 1 97 97 VAL C C 97 176.156 176.156 175.314 0.842 25469 4108 1 7 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.284 1.015 25469 4109 1 7 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.413 -0.559 25469 4110 1 7 . 1 1 97 97 VAL H H 97 7.925 7.925 7.398 0.527 25469 4111 1 7 . 1 1 98 98 LYS N N 98 126.024 126.024 126.248 -0.224 25469 4112 1 7 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.497 -0.171 25469 4113 1 7 . 1 1 98 98 LYS C C 98 176.427 176.427 176.216 0.211 25469 4114 1 7 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.851 0.250 25469 4115 1 7 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.614 0.447 25469 4116 1 7 . 1 1 98 98 LYS H H 98 8.473 8.473 8.451 0.022 25469 4117 1 7 . 1 1 99 99 ARG N N 99 123.644 123.644 120.381 3.263 25469 4118 1 7 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.445 -0.066 25469 4119 1 7 . 1 1 99 99 ARG C C 99 176.231 176.231 177.008 -0.777 25469 4120 1 7 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.530 0.402 25469 4121 1 7 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.842 -0.575 25469 4122 1 7 . 1 1 99 99 ARG H H 99 8.464 8.464 7.690 0.774 25469 4123 1 7 . 1 1 100 100 SER N N 100 117.863 117.863 117.800 0.063 25469 4124 1 7 . 1 1 100 100 SER HA H 100 4.449 4.449 4.313 0.136 25469 4125 1 7 . 1 1 100 100 SER C C 100 174.556 174.556 174.701 -0.145 25469 4126 1 7 . 1 1 100 100 SER CA C 100 57.985 57.985 59.397 -1.412 25469 4127 1 7 . 1 1 100 100 SER CB C 100 64.167 64.167 63.497 0.670 25469 4128 1 7 . 1 1 100 100 SER H H 100 8.516 8.516 8.876 -0.360 25469 4129 1 7 . 1 1 101 101 ALA N N 101 126.048 126.048 121.016 5.032 25469 4130 1 7 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.066 0.191 25469 4131 1 7 . 1 1 101 101 ALA C C 101 178.047 178.047 176.587 1.460 25469 4132 1 7 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.683 -0.335 25469 4133 1 7 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.049 0.896 25469 4134 1 7 . 1 1 101 101 ALA H H 101 8.538 8.538 8.105 0.433 25469 4135 1 7 . 1 1 102 102 ALA N N 102 121.566 121.566 119.300 2.266 25469 4136 1 7 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.582 -0.357 25469 4137 1 7 . 1 1 102 102 ALA C C 102 178.254 178.254 178.247 0.007 25469 4138 1 7 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.188 0.857 25469 4139 1 7 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.578 -0.535 25469 4140 1 7 . 1 1 102 102 ALA H H 102 8.212 8.212 8.138 0.074 25469 4141 1 7 . 1 1 103 103 GLU N N 103 118.735 118.735 118.678 0.057 25469 4142 1 7 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.249 -0.048 25469 4143 1 7 . 1 1 103 103 GLU C C 103 176.516 176.516 177.023 -0.507 25469 4144 1 7 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.792 -1.136 25469 4145 1 7 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.322 0.905 25469 4146 1 7 . 1 1 103 103 GLU H H 103 8.071 8.071 8.823 -0.752 25469 4147 1 7 . 1 1 104 104 MET N N 104 120.106 120.106 117.235 2.871 25469 4148 1 7 . 1 1 104 104 MET HA H 104 4.326 4.326 4.474 -0.148 25469 4149 1 7 . 1 1 104 104 MET C C 104 175.862 175.862 174.868 0.994 25469 4150 1 7 . 1 1 104 104 MET CA C 104 55.939 55.939 55.520 0.419 25469 4151 1 7 . 1 1 104 104 MET CB C 104 32.999 32.999 32.910 0.089 25469 4152 1 7 . 1 1 104 104 MET H H 104 8.073 8.073 8.025 0.048 25469 4153 1 7 . 1 1 105 105 TYR N N 105 120.285 120.285 117.099 3.186 25469 4154 1 7 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.656 -0.003 25469 4155 1 7 . 1 1 105 105 TYR C C 105 175.319 175.319 176.073 -0.754 25469 4156 1 7 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.806 -0.211 25469 4157 1 7 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.759 -0.820 25469 4158 1 7 . 1 1 105 105 TYR H H 105 8.126 8.126 7.582 0.544 25469 4159 1 8 . 1 1 3 3 SER HA H 3 4.553 4.553 4.501 0.052 25469 4160 1 8 . 1 1 3 3 SER C C 3 173.408 173.408 175.762 -2.354 25469 4161 1 8 . 1 1 3 3 SER CA C 3 58.273 58.273 56.535 1.738 25469 4162 1 8 . 1 1 3 3 SER CB C 3 63.940 63.940 64.557 -0.617 25469 4163 1 8 . 1 1 4 4 ASN N N 4 120.235 120.235 120.369 -0.134 25469 4164 1 8 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.951 0.266 25469 4165 1 8 . 1 1 4 4 ASN C C 4 176.243 176.243 174.923 1.320 25469 4166 1 8 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.187 -0.143 25469 4167 1 8 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.825 -0.093 25469 4168 1 8 . 1 1 4 4 ASN H H 4 8.774 8.774 8.615 0.159 25469 4169 1 8 . 1 1 5 5 VAL N N 5 122.554 122.554 121.529 1.025 25469 4170 1 8 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.194 -0.425 25469 4171 1 8 . 1 1 5 5 VAL C C 5 177.223 177.223 175.195 2.028 25469 4172 1 8 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.618 3.193 25469 4173 1 8 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.759 -1.885 25469 4174 1 8 . 1 1 5 5 VAL H H 5 8.315 8.315 7.418 0.897 25469 4175 1 8 . 1 1 6 6 THR N N 6 118.503 118.503 115.149 3.354 25469 4176 1 8 . 1 1 6 6 THR HA H 6 4.678 4.678 4.426 0.252 25469 4177 1 8 . 1 1 6 6 THR C C 6 174.350 174.350 173.499 0.851 25469 4178 1 8 . 1 1 6 6 THR CA C 6 60.560 60.560 61.181 -0.621 25469 4179 1 8 . 1 1 6 6 THR CB C 6 69.833 69.833 69.860 -0.027 25469 4180 1 8 . 1 1 6 6 THR H H 6 9.394 9.394 8.323 1.071 25469 4181 1 8 . 1 1 7 7 ASN N N 7 120.872 120.872 120.036 0.836 25469 4182 1 8 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.666 -0.110 25469 4183 1 8 . 1 1 7 7 ASN C C 7 176.866 176.866 173.643 3.223 25469 4184 1 8 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.605 -0.708 25469 4185 1 8 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.683 -0.601 25469 4186 1 8 . 1 1 7 7 ASN H H 7 7.976 7.976 8.130 -0.154 25469 4187 1 8 . 1 1 8 8 LYS N N 8 121.728 121.728 123.263 -1.535 25469 4188 1 8 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.621 -0.365 25469 4189 1 8 . 1 1 8 8 LYS C C 8 180.142 180.142 175.537 4.605 25469 4190 1 8 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.432 2.768 25469 4191 1 8 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.783 -3.491 25469 4192 1 8 . 1 1 8 8 LYS H H 8 8.572 8.572 8.212 0.360 25469 4193 1 8 . 1 1 9 9 THR N N 9 110.858 110.858 111.860 -1.002 25469 4194 1 8 . 1 1 9 9 THR HA H 9 4.463 4.463 4.475 -0.012 25469 4195 1 8 . 1 1 9 9 THR C C 9 174.485 174.485 173.431 1.054 25469 4196 1 8 . 1 1 9 9 THR CA C 9 61.246 61.246 61.377 -0.131 25469 4197 1 8 . 1 1 9 9 THR CB C 9 69.039 69.039 69.068 -0.029 25469 4198 1 8 . 1 1 9 9 THR H H 9 8.691 8.691 8.501 0.190 25469 4199 1 8 . 1 1 10 10 ASP N N 10 121.014 121.014 124.103 -3.089 25469 4200 1 8 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.722 0.103 25469 4201 1 8 . 1 1 10 10 ASP C C 10 173.946 173.946 176.755 -2.809 25469 4202 1 8 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.545 -0.981 25469 4203 1 8 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.395 -1.794 25469 4204 1 8 . 1 1 10 10 ASP H H 10 7.907 7.907 7.955 -0.048 25469 4205 1 8 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.377 -0.222 25469 4206 1 8 . 1 1 11 11 PRO C C 11 178.421 178.421 176.531 1.890 25469 4207 1 8 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.595 1.646 25469 4208 1 8 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.136 0.062 25469 4209 1 8 . 1 1 12 12 ARG N N 12 116.361 116.361 116.246 0.115 25469 4210 1 8 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.529 -0.437 25469 4211 1 8 . 1 1 12 12 ARG C C 12 180.446 180.446 176.814 3.632 25469 4212 1 8 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.502 2.033 25469 4213 1 8 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.197 -1.947 25469 4214 1 8 . 1 1 12 12 ARG H H 12 7.940 7.940 8.055 -0.115 25469 4215 1 8 . 1 1 13 13 SER N N 13 119.379 119.379 116.097 3.282 25469 4216 1 8 . 1 1 13 13 SER HA H 13 4.052 4.052 4.486 -0.434 25469 4217 1 8 . 1 1 13 13 SER C C 13 178.762 178.762 176.175 2.587 25469 4218 1 8 . 1 1 13 13 SER CA C 13 61.529 61.529 61.649 -0.120 25469 4219 1 8 . 1 1 13 13 SER CB C 13 61.778 61.778 63.251 -1.473 25469 4220 1 8 . 1 1 13 13 SER H H 13 8.143 8.143 8.326 -0.183 25469 4221 1 8 . 1 1 14 14 MET N N 14 120.327 120.327 114.648 5.679 25469 4222 1 8 . 1 1 14 14 MET HA H 14 4.097 4.097 4.555 -0.458 25469 4223 1 8 . 1 1 14 14 MET C C 14 178.576 178.576 175.008 3.568 25469 4224 1 8 . 1 1 14 14 MET CA C 14 58.293 58.293 57.129 1.164 25469 4225 1 8 . 1 1 14 14 MET CB C 14 31.813 31.813 32.781 -0.968 25469 4226 1 8 . 1 1 14 14 MET H H 14 8.238 8.238 7.608 0.630 25469 4227 1 8 . 1 1 15 15 ASN N N 15 115.378 115.378 116.708 -1.330 25469 4228 1 8 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.910 -0.285 25469 4229 1 8 . 1 1 15 15 ASN C C 15 172.556 172.556 176.578 -4.022 25469 4230 1 8 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.378 -0.349 25469 4231 1 8 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.313 -2.663 25469 4232 1 8 . 1 1 15 15 ASN H H 15 7.968 7.968 7.626 0.342 25469 4233 1 8 . 1 1 16 16 SER N N 16 106.215 106.215 114.899 -8.684 25469 4234 1 8 . 1 1 16 16 SER HA H 16 4.495 4.495 4.577 -0.082 25469 4235 1 8 . 1 1 16 16 SER C C 16 172.121 172.121 173.690 -1.569 25469 4236 1 8 . 1 1 16 16 SER CA C 16 56.785 56.785 58.788 -2.003 25469 4237 1 8 . 1 1 16 16 SER CB C 16 63.428 63.428 63.621 -0.193 25469 4238 1 8 . 1 1 16 16 SER H H 16 7.253 7.253 7.797 -0.544 25469 4239 1 8 . 1 1 17 17 ARG N N 17 123.348 123.348 122.222 1.126 25469 4240 1 8 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.277 0.315 25469 4241 1 8 . 1 1 17 17 ARG C C 17 174.491 174.491 174.693 -0.202 25469 4242 1 8 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.148 -0.769 25469 4243 1 8 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.516 -0.607 25469 4244 1 8 . 1 1 17 17 ARG H H 17 7.405 7.405 7.571 -0.166 25469 4245 1 8 . 1 1 18 18 VAL N N 18 122.328 122.328 122.411 -0.083 25469 4246 1 8 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.501 0.208 25469 4247 1 8 . 1 1 18 18 VAL C C 18 174.863 174.863 173.991 0.872 25469 4248 1 8 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.135 -0.478 25469 4249 1 8 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.959 -0.657 25469 4250 1 8 . 1 1 18 18 VAL H H 18 9.260 9.260 8.997 0.263 25469 4251 1 8 . 1 1 19 19 PHE N N 19 126.010 126.010 128.850 -2.840 25469 4252 1 8 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.193 0.273 25469 4253 1 8 . 1 1 19 19 PHE C C 19 171.967 171.967 173.507 -1.540 25469 4254 1 8 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.298 1.811 25469 4255 1 8 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.303 -0.280 25469 4256 1 8 . 1 1 19 19 PHE H H 19 9.159 9.159 9.253 -0.094 25469 4257 1 8 . 1 1 20 20 ILE N N 20 126.422 126.422 127.629 -1.207 25469 4258 1 8 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.107 -0.246 25469 4259 1 8 . 1 1 20 20 ILE C C 20 173.050 173.050 174.422 -1.372 25469 4260 1 8 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.938 -0.590 25469 4261 1 8 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.176 1.024 25469 4262 1 8 . 1 1 20 20 ILE H H 20 7.716 7.716 8.311 -0.595 25469 4263 1 8 . 1 1 21 21 GLY N N 21 113.182 113.182 111.665 1.517 25469 4264 1 8 . 1 1 21 21 GLY C C 21 173.769 173.769 173.931 -0.162 25469 4265 1 8 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.266 0.594 25469 4266 1 8 . 1 1 21 21 GLY H H 21 8.550 8.550 8.097 0.453 25469 4267 1 8 . 1 1 22 22 ASN N N 22 116.072 116.072 115.584 0.488 25469 4268 1 8 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.340 0.007 25469 4269 1 8 . 1 1 22 22 ASN C C 22 174.205 174.205 173.895 0.310 25469 4270 1 8 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.711 -0.278 25469 4271 1 8 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.733 1.093 25469 4272 1 8 . 1 1 22 22 ASN H H 22 7.291 7.291 8.579 -1.288 25469 4273 1 8 . 1 1 23 23 LEU N N 23 118.873 118.873 118.824 0.049 25469 4274 1 8 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.676 -0.748 25469 4275 1 8 . 1 1 23 23 LEU C C 23 176.551 176.551 176.242 0.309 25469 4276 1 8 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.332 -0.667 25469 4277 1 8 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.345 0.004 25469 4278 1 8 . 1 1 23 23 LEU H H 23 7.279 7.279 7.897 -0.618 25469 4279 1 8 . 1 1 24 24 ASN N N 24 124.260 124.260 122.705 1.555 25469 4280 1 8 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.479 0.280 25469 4281 1 8 . 1 1 24 24 ASN C C 24 175.831 175.831 175.507 0.324 25469 4282 1 8 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.548 -3.908 25469 4283 1 8 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.434 -2.879 25469 4284 1 8 . 1 1 24 24 ASN H H 24 9.075 9.075 8.756 0.319 25469 4285 1 8 . 1 1 25 25 THR N N 25 118.101 118.101 107.102 10.999 25469 4286 1 8 . 1 1 25 25 THR HA H 25 4.377 4.377 4.120 0.257 25469 4287 1 8 . 1 1 25 25 THR C C 25 175.286 175.286 174.898 0.388 25469 4288 1 8 . 1 1 25 25 THR CA C 25 63.324 63.324 64.160 -0.836 25469 4289 1 8 . 1 1 25 25 THR CB C 25 67.439 67.439 66.891 0.548 25469 4290 1 8 . 1 1 25 25 THR H H 25 8.226 8.226 8.053 0.173 25469 4291 1 8 . 1 1 26 26 LEU N N 26 121.285 121.285 118.378 2.907 25469 4292 1 8 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.356 -0.045 25469 4293 1 8 . 1 1 26 26 LEU C C 26 178.244 178.244 177.339 0.905 25469 4294 1 8 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.693 0.621 25469 4295 1 8 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.215 -0.887 25469 4296 1 8 . 1 1 26 26 LEU H H 26 7.670 7.670 7.601 0.069 25469 4297 1 8 . 1 1 27 27 VAL N N 27 114.562 114.562 115.463 -0.901 25469 4298 1 8 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.172 -0.125 25469 4299 1 8 . 1 1 27 27 VAL C C 27 175.200 175.200 175.747 -0.547 25469 4300 1 8 . 1 1 27 27 VAL CA C 27 63.031 63.031 63.290 -0.259 25469 4301 1 8 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.694 2.488 25469 4302 1 8 . 1 1 27 27 VAL H H 27 6.790 6.790 7.537 -0.747 25469 4303 1 8 . 1 1 28 28 VAL N N 28 121.996 121.996 119.897 2.099 25469 4304 1 8 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.165 -0.306 25469 4305 1 8 . 1 1 28 28 VAL C C 28 174.352 174.352 174.849 -0.497 25469 4306 1 8 . 1 1 28 28 VAL CA C 28 63.192 63.192 62.006 1.186 25469 4307 1 8 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.846 -0.905 25469 4308 1 8 . 1 1 28 28 VAL H H 28 8.276 8.276 7.703 0.573 25469 4309 1 8 . 1 1 29 29 LYS N N 29 124.228 124.228 123.836 0.392 25469 4310 1 8 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.653 -0.051 25469 4311 1 8 . 1 1 29 29 LYS C C 29 177.959 177.959 177.254 0.705 25469 4312 1 8 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.607 -0.961 25469 4313 1 8 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.690 -1.295 25469 4314 1 8 . 1 1 29 29 LYS H H 29 8.925 8.925 7.948 0.977 25469 4315 1 8 . 1 1 30 30 LYS N N 30 123.350 123.350 121.546 1.804 25469 4316 1 8 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.059 -0.405 25469 4317 1 8 . 1 1 30 30 LYS C C 30 177.639 177.639 176.577 1.062 25469 4318 1 8 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.563 2.837 25469 4319 1 8 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.810 0.839 25469 4320 1 8 . 1 1 30 30 LYS H H 30 8.993 8.993 8.719 0.274 25469 4321 1 8 . 1 1 31 31 SER N N 31 111.465 111.465 113.816 -2.351 25469 4322 1 8 . 1 1 31 31 SER HA H 31 4.167 4.167 4.750 -0.583 25469 4323 1 8 . 1 1 31 31 SER C C 31 177.617 177.617 174.100 3.517 25469 4324 1 8 . 1 1 31 31 SER CA C 31 61.389 61.389 59.548 1.841 25469 4325 1 8 . 1 1 31 31 SER CB C 31 61.533 61.533 63.374 -1.841 25469 4326 1 8 . 1 1 31 31 SER H H 31 8.669 8.669 8.133 0.536 25469 4327 1 8 . 1 1 32 32 ASP N N 32 122.187 122.187 121.610 0.577 25469 4328 1 8 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.813 -0.293 25469 4329 1 8 . 1 1 32 32 ASP C C 32 178.194 178.194 178.505 -0.311 25469 4330 1 8 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.836 1.352 25469 4331 1 8 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.711 -0.864 25469 4332 1 8 . 1 1 32 32 ASP H H 32 7.141 7.141 8.078 -0.937 25469 4333 1 8 . 1 1 33 33 VAL N N 33 120.138 120.138 120.216 -0.078 25469 4334 1 8 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.942 -0.481 25469 4335 1 8 . 1 1 33 33 VAL C C 33 178.624 178.624 176.581 2.043 25469 4336 1 8 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.817 0.557 25469 4337 1 8 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.699 -0.414 25469 4338 1 8 . 1 1 33 33 VAL H H 33 7.956 7.956 8.188 -0.232 25469 4339 1 8 . 1 1 34 34 GLU N N 34 118.717 118.717 116.365 2.352 25469 4340 1 8 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.217 -0.463 25469 4341 1 8 . 1 1 34 34 GLU C C 34 178.701 178.701 175.893 2.808 25469 4342 1 8 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.495 3.010 25469 4343 1 8 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.747 0.597 25469 4344 1 8 . 1 1 34 34 GLU H H 34 8.637 8.637 8.616 0.021 25469 4345 1 8 . 1 1 35 35 ALA N N 35 121.541 121.541 119.977 1.564 25469 4346 1 8 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.675 -0.526 25469 4347 1 8 . 1 1 35 35 ALA C C 35 180.483 180.483 177.031 3.452 25469 4348 1 8 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.419 3.097 25469 4349 1 8 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.725 -2.677 25469 4350 1 8 . 1 1 35 35 ALA H H 35 7.823 7.823 7.788 0.035 25469 4351 1 8 . 1 1 36 36 ILE N N 36 117.449 117.449 117.925 -0.476 25469 4352 1 8 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.070 -0.407 25469 4353 1 8 . 1 1 36 36 ILE C C 36 178.665 178.665 176.229 2.436 25469 4354 1 8 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.599 2.212 25469 4355 1 8 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.623 0.167 25469 4356 1 8 . 1 1 36 36 ILE H H 36 7.773 7.773 7.524 0.249 25469 4357 1 8 . 1 1 37 37 PHE N N 37 113.524 113.524 117.292 -3.768 25469 4358 1 8 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.990 -0.632 25469 4359 1 8 . 1 1 37 37 PHE C C 37 179.593 179.593 177.482 2.111 25469 4360 1 8 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.515 3.165 25469 4361 1 8 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.425 -3.215 25469 4362 1 8 . 1 1 37 37 PHE H H 37 8.566 8.566 8.325 0.241 25469 4363 1 8 . 1 1 38 38 SER N N 38 122.025 122.025 115.243 6.782 25469 4364 1 8 . 1 1 38 38 SER HA H 38 4.821 4.821 4.694 0.127 25469 4365 1 8 . 1 1 38 38 SER C C 38 175.439 175.439 175.501 -0.062 25469 4366 1 8 . 1 1 38 38 SER CA C 38 61.519 61.519 60.147 1.372 25469 4367 1 8 . 1 1 38 38 SER CB C 38 62.765 62.765 63.523 -0.758 25469 4368 1 8 . 1 1 38 38 SER H H 38 8.834 8.834 8.505 0.329 25469 4369 1 8 . 1 1 39 39 LYS N N 39 119.387 119.387 118.384 1.003 25469 4370 1 8 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.071 -0.110 25469 4371 1 8 . 1 1 39 39 LYS C C 39 177.064 177.064 176.239 0.825 25469 4372 1 8 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.431 0.848 25469 4373 1 8 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.596 -0.011 25469 4374 1 8 . 1 1 39 39 LYS H H 39 7.054 7.054 7.912 -0.858 25469 4375 1 8 . 1 1 40 40 TYR N N 40 114.433 114.433 118.666 -4.233 25469 4376 1 8 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.585 -0.308 25469 4377 1 8 . 1 1 40 40 TYR C C 40 174.842 174.842 174.982 -0.140 25469 4378 1 8 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.005 0.845 25469 4379 1 8 . 1 1 40 40 TYR CB C 40 38.427 38.427 39.979 -1.552 25469 4380 1 8 . 1 1 40 40 TYR H H 40 6.956 6.956 7.431 -0.475 25469 4381 1 8 . 1 1 41 41 GLY N N 41 106.514 106.514 103.843 2.671 25469 4382 1 8 . 1 1 41 41 GLY C C 41 170.573 170.573 171.818 -1.245 25469 4383 1 8 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.832 -0.276 25469 4384 1 8 . 1 1 41 41 GLY H H 41 7.428 7.428 7.293 0.135 25469 4385 1 8 . 1 1 42 42 LYS N N 42 117.788 117.788 121.742 -3.954 25469 4386 1 8 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.342 -0.145 25469 4387 1 8 . 1 1 42 42 LYS C C 42 176.536 176.536 176.019 0.517 25469 4388 1 8 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.749 0.387 25469 4389 1 8 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.743 0.224 25469 4390 1 8 . 1 1 42 42 LYS H H 42 8.034 8.034 8.478 -0.444 25469 4391 1 8 . 1 1 43 43 ILE N N 43 127.104 127.104 127.253 -0.149 25469 4392 1 8 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.479 -0.455 25469 4393 1 8 . 1 1 43 43 ILE C C 43 176.993 176.993 176.455 0.538 25469 4394 1 8 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.709 -0.329 25469 4395 1 8 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.766 0.147 25469 4396 1 8 . 1 1 43 43 ILE H H 43 8.711 8.711 8.638 0.073 25469 4397 1 8 . 1 1 44 44 VAL N N 44 121.993 121.993 120.190 1.803 25469 4398 1 8 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.508 -0.144 25469 4399 1 8 . 1 1 44 44 VAL C C 44 176.853 176.853 175.317 1.536 25469 4400 1 8 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.808 1.050 25469 4401 1 8 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.267 -0.715 25469 4402 1 8 . 1 1 44 44 VAL H H 44 8.711 8.711 8.734 -0.023 25469 4403 1 8 . 1 1 45 45 GLY N N 45 109.507 109.507 107.197 2.310 25469 4404 1 8 . 1 1 45 45 GLY C C 45 171.266 171.266 171.865 -0.599 25469 4405 1 8 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.643 -0.634 25469 4406 1 8 . 1 1 45 45 GLY H H 45 7.530 7.530 7.455 0.075 25469 4407 1 8 . 1 1 46 46 CYS N N 46 124.546 124.546 121.316 3.230 25469 4408 1 8 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.465 -0.434 25469 4409 1 8 . 1 1 46 46 CYS C C 46 172.073 172.073 172.496 -0.423 25469 4410 1 8 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.072 0.891 25469 4411 1 8 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.184 -2.842 25469 4412 1 8 . 1 1 46 46 CYS H H 46 8.982 8.982 9.088 -0.106 25469 4413 1 8 . 1 1 47 47 SER N N 47 122.933 122.933 119.892 3.041 25469 4414 1 8 . 1 1 47 47 SER HA H 47 4.908 4.908 4.849 0.059 25469 4415 1 8 . 1 1 47 47 SER C C 47 171.849 171.849 172.175 -0.326 25469 4416 1 8 . 1 1 47 47 SER CA C 47 56.585 56.585 57.481 -0.896 25469 4417 1 8 . 1 1 47 47 SER CB C 47 65.733 65.733 65.718 0.015 25469 4418 1 8 . 1 1 47 47 SER H H 47 8.569 8.569 9.104 -0.535 25469 4419 1 8 . 1 1 48 48 VAL N N 48 121.588 121.588 121.168 0.420 25469 4420 1 8 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.284 -0.146 25469 4421 1 8 . 1 1 48 48 VAL C C 48 173.991 173.991 175.175 -1.184 25469 4422 1 8 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.012 1.298 25469 4423 1 8 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.938 -1.014 25469 4424 1 8 . 1 1 48 48 VAL H H 48 8.565 8.565 8.321 0.244 25469 4425 1 8 . 1 1 49 49 HIS N N 49 130.308 130.308 124.124 6.184 25469 4426 1 8 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.666 -0.234 25469 4427 1 8 . 1 1 49 49 HIS C C 49 173.950 173.950 173.890 0.060 25469 4428 1 8 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.414 0.237 25469 4429 1 8 . 1 1 49 49 HIS CB C 49 31.553 31.553 31.451 0.102 25469 4430 1 8 . 1 1 49 49 HIS H H 49 8.441 8.441 8.746 -0.305 25469 4431 1 8 . 1 1 50 50 LYS N N 50 121.937 121.937 120.076 1.861 25469 4432 1 8 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.139 0.321 25469 4433 1 8 . 1 1 50 50 LYS C C 50 175.528 175.528 177.247 -1.719 25469 4434 1 8 . 1 1 50 50 LYS CA C 50 56.289 56.289 55.499 0.790 25469 4435 1 8 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.742 -1.264 25469 4436 1 8 . 1 1 50 50 LYS H H 50 7.926 7.926 8.175 -0.249 25469 4437 1 8 . 1 1 51 51 GLY N N 51 114.868 114.868 112.106 2.762 25469 4438 1 8 . 1 1 51 51 GLY C C 51 174.253 174.253 173.040 1.213 25469 4439 1 8 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.170 -0.651 25469 4440 1 8 . 1 1 51 51 GLY H H 51 8.644 8.644 8.537 0.107 25469 4441 1 8 . 1 1 52 52 PHE N N 52 112.790 112.790 115.267 -2.477 25469 4442 1 8 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.618 -0.370 25469 4443 1 8 . 1 1 52 52 PHE C C 52 171.606 171.606 172.870 -1.264 25469 4444 1 8 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.404 0.827 25469 4445 1 8 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.333 -0.288 25469 4446 1 8 . 1 1 52 52 PHE H H 52 7.005 7.005 7.241 -0.236 25469 4447 1 8 . 1 1 53 53 ALA N N 53 119.858 119.858 119.189 0.669 25469 4448 1 8 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.892 -0.057 25469 4449 1 8 . 1 1 53 53 ALA C C 53 173.030 173.030 174.604 -1.574 25469 4450 1 8 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.060 -0.715 25469 4451 1 8 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.468 2.265 25469 4452 1 8 . 1 1 53 53 ALA H H 53 8.724 8.724 8.514 0.210 25469 4453 1 8 . 1 1 54 54 PHE N N 54 112.158 112.158 116.405 -4.247 25469 4454 1 8 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.690 -0.110 25469 4455 1 8 . 1 1 54 54 PHE C C 54 175.765 175.765 174.189 1.576 25469 4456 1 8 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.012 -0.408 25469 4457 1 8 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.515 -0.221 25469 4458 1 8 . 1 1 54 54 PHE H H 54 8.764 8.764 9.017 -0.253 25469 4459 1 8 . 1 1 55 55 VAL N N 55 118.628 118.628 119.743 -1.115 25469 4460 1 8 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.639 -0.427 25469 4461 1 8 . 1 1 55 55 VAL C C 55 172.807 172.807 173.765 -0.958 25469 4462 1 8 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.469 1.408 25469 4463 1 8 . 1 1 55 55 VAL CB C 55 34.953 34.953 36.024 -1.071 25469 4464 1 8 . 1 1 55 55 VAL H H 55 8.310 8.310 8.946 -0.636 25469 4465 1 8 . 1 1 56 56 GLN N N 56 128.402 128.402 122.839 5.563 25469 4466 1 8 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.859 -0.294 25469 4467 1 8 . 1 1 56 56 GLN C C 56 173.894 173.894 174.023 -0.129 25469 4468 1 8 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.888 0.325 25469 4469 1 8 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.292 -0.186 25469 4470 1 8 . 1 1 56 56 GLN H H 56 9.253 9.253 8.597 0.656 25469 4471 1 8 . 1 1 57 57 TYR N N 57 127.617 127.617 123.802 3.815 25469 4472 1 8 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.391 -0.110 25469 4473 1 8 . 1 1 57 57 TYR C C 57 175.610 175.610 176.912 -1.302 25469 4474 1 8 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.380 2.311 25469 4475 1 8 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.114 -1.045 25469 4476 1 8 . 1 1 57 57 TYR H H 57 8.919 8.919 9.111 -0.192 25469 4477 1 8 . 1 1 58 58 VAL N N 58 116.705 116.705 118.978 -2.273 25469 4478 1 8 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.865 0.248 25469 4479 1 8 . 1 1 58 58 VAL C C 58 175.860 175.860 175.758 0.102 25469 4480 1 8 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.504 -0.475 25469 4481 1 8 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.162 0.887 25469 4482 1 8 . 1 1 58 58 VAL H H 58 9.458 9.458 8.767 0.691 25469 4483 1 8 . 1 1 59 59 ASN N N 59 112.563 112.563 113.562 -0.999 25469 4484 1 8 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.842 0.308 25469 4485 1 8 . 1 1 59 59 ASN C C 59 174.483 174.483 174.673 -0.190 25469 4486 1 8 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.374 -0.422 25469 4487 1 8 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.003 2.174 25469 4488 1 8 . 1 1 59 59 ASN H H 59 7.230 7.230 7.414 -0.184 25469 4489 1 8 . 1 1 60 60 GLU N N 60 124.320 124.320 119.880 4.440 25469 4490 1 8 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.187 0.128 25469 4491 1 8 . 1 1 60 60 GLU C C 60 178.202 178.202 177.842 0.360 25469 4492 1 8 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.586 -0.805 25469 4493 1 8 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.718 0.659 25469 4494 1 8 . 1 1 60 60 GLU H H 60 8.807 8.807 8.915 -0.108 25469 4495 1 8 . 1 1 61 61 ARG N N 61 118.347 118.347 118.994 -0.647 25469 4496 1 8 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.033 -0.043 25469 4497 1 8 . 1 1 61 61 ARG C C 61 179.341 179.341 178.542 0.799 25469 4498 1 8 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.557 0.910 25469 4499 1 8 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.756 -0.355 25469 4500 1 8 . 1 1 61 61 ARG H H 61 8.620 8.620 8.312 0.308 25469 4501 1 8 . 1 1 62 62 ASN N N 62 118.085 118.085 117.172 0.913 25469 4502 1 8 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.321 -0.044 25469 4503 1 8 . 1 1 62 62 ASN C C 62 174.852 174.852 176.452 -1.600 25469 4504 1 8 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.205 0.260 25469 4505 1 8 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.185 0.822 25469 4506 1 8 . 1 1 62 62 ASN H H 62 7.781 7.781 7.962 -0.181 25469 4507 1 8 . 1 1 63 63 ALA N N 63 119.580 119.580 123.033 -3.453 25469 4508 1 8 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.422 -0.674 25469 4509 1 8 . 1 1 63 63 ALA C C 63 178.862 178.862 179.318 -0.456 25469 4510 1 8 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.730 0.231 25469 4511 1 8 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.757 -0.216 25469 4512 1 8 . 1 1 63 63 ALA H H 63 6.775 6.775 7.305 -0.530 25469 4513 1 8 . 1 1 64 64 ARG N N 64 114.991 114.991 118.481 -3.490 25469 4514 1 8 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.136 -0.296 25469 4515 1 8 . 1 1 64 64 ARG C C 64 179.776 179.776 178.633 1.143 25469 4516 1 8 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.037 2.145 25469 4517 1 8 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.669 -0.423 25469 4518 1 8 . 1 1 64 64 ARG H H 64 8.737 8.737 8.452 0.285 25469 4519 1 8 . 1 1 65 65 ALA N N 65 123.698 123.698 121.281 2.417 25469 4520 1 8 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.267 -0.140 25469 4521 1 8 . 1 1 65 65 ALA C C 65 179.561 179.561 178.541 1.020 25469 4522 1 8 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.530 0.418 25469 4523 1 8 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.325 -0.434 25469 4524 1 8 . 1 1 65 65 ALA H H 65 7.820 7.820 7.559 0.261 25469 4525 1 8 . 1 1 66 66 ALA N N 66 123.811 123.811 120.076 3.735 25469 4526 1 8 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.673 -1.606 25469 4527 1 8 . 1 1 66 66 ALA C C 66 179.260 179.260 179.209 0.051 25469 4528 1 8 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.396 -0.087 25469 4529 1 8 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.128 0.180 25469 4530 1 8 . 1 1 66 66 ALA H H 66 7.538 7.538 7.393 0.145 25469 4531 1 8 . 1 1 67 67 VAL N N 67 116.571 116.571 118.288 -1.717 25469 4532 1 8 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.695 -0.340 25469 4533 1 8 . 1 1 67 67 VAL C C 67 177.744 177.744 177.497 0.247 25469 4534 1 8 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.759 -0.229 25469 4535 1 8 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.665 0.302 25469 4536 1 8 . 1 1 67 67 VAL H H 67 7.612 7.612 8.358 -0.746 25469 4537 1 8 . 1 1 68 68 ALA N N 68 118.239 118.239 120.124 -1.885 25469 4538 1 8 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.322 -0.201 25469 4539 1 8 . 1 1 68 68 ALA C C 68 180.749 180.749 178.124 2.625 25469 4540 1 8 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.418 0.934 25469 4541 1 8 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.720 -0.623 25469 4542 1 8 . 1 1 68 68 ALA H H 68 7.549 7.549 7.532 0.017 25469 4543 1 8 . 1 1 69 69 GLY N N 69 103.748 103.748 105.324 -1.576 25469 4544 1 8 . 1 1 69 69 GLY C C 69 175.627 175.627 174.942 0.685 25469 4545 1 8 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.032 1.054 25469 4546 1 8 . 1 1 69 69 GLY H H 69 8.135 8.135 7.303 0.832 25469 4547 1 8 . 1 1 70 70 GLU N N 70 114.571 114.571 116.339 -1.768 25469 4548 1 8 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.360 0.272 25469 4549 1 8 . 1 1 70 70 GLU C C 70 176.392 176.392 175.052 1.340 25469 4550 1 8 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.880 -0.682 25469 4551 1 8 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.869 -0.497 25469 4552 1 8 . 1 1 70 70 GLU H H 70 7.653 7.653 7.585 0.068 25469 4553 1 8 . 1 1 71 71 ASP N N 71 118.127 118.127 121.104 -2.977 25469 4554 1 8 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.357 -0.072 25469 4555 1 8 . 1 1 71 71 ASP C C 71 178.699 178.699 177.042 1.657 25469 4556 1 8 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.008 1.534 25469 4557 1 8 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.186 1.184 25469 4558 1 8 . 1 1 71 71 ASP H H 71 8.026 8.026 7.584 0.442 25469 4559 1 8 . 1 1 72 72 GLY N N 72 114.353 114.353 113.734 0.619 25469 4560 1 8 . 1 1 72 72 GLY C C 72 173.792 173.792 174.386 -0.594 25469 4561 1 8 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.131 0.628 25469 4562 1 8 . 1 1 72 72 GLY H H 72 8.292 8.292 8.097 0.195 25469 4563 1 8 . 1 1 73 73 ARG N N 73 121.996 121.996 118.803 3.193 25469 4564 1 8 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.423 -0.237 25469 4565 1 8 . 1 1 73 73 ARG C C 73 175.188 175.188 174.766 0.422 25469 4566 1 8 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.941 1.535 25469 4567 1 8 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.191 0.128 25469 4568 1 8 . 1 1 73 73 ARG H H 73 7.981 7.981 7.914 0.067 25469 4569 1 8 . 1 1 74 74 MET N N 74 125.120 125.120 120.592 4.528 25469 4570 1 8 . 1 1 74 74 MET HA H 74 4.795 4.795 4.663 0.132 25469 4571 1 8 . 1 1 74 74 MET C C 74 175.727 175.727 174.841 0.886 25469 4572 1 8 . 1 1 74 74 MET CA C 74 55.054 55.054 54.625 0.429 25469 4573 1 8 . 1 1 74 74 MET CB C 74 33.076 33.076 34.357 -1.281 25469 4574 1 8 . 1 1 74 74 MET H H 74 8.710 8.710 8.303 0.407 25469 4575 1 8 . 1 1 75 75 ILE N N 75 127.530 127.530 125.741 1.789 25469 4576 1 8 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.429 -0.043 25469 4577 1 8 . 1 1 75 75 ILE C C 75 175.277 175.277 175.634 -0.357 25469 4578 1 8 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.584 -0.853 25469 4579 1 8 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.403 -0.995 25469 4580 1 8 . 1 1 75 75 ILE H H 75 8.583 8.583 8.746 -0.163 25469 4581 1 8 . 1 1 76 76 ALA N N 76 132.166 132.166 130.081 2.085 25469 4582 1 8 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.990 0.042 25469 4583 1 8 . 1 1 76 76 ALA C C 76 177.206 177.206 177.715 -0.509 25469 4584 1 8 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.255 -0.383 25469 4585 1 8 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.359 -0.111 25469 4586 1 8 . 1 1 76 76 ALA H H 76 9.540 9.540 9.040 0.500 25469 4587 1 8 . 1 1 77 77 GLY N N 77 101.685 101.685 102.810 -1.125 25469 4588 1 8 . 1 1 77 77 GLY C C 77 174.206 174.206 173.899 0.307 25469 4589 1 8 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.877 0.890 25469 4590 1 8 . 1 1 77 77 GLY H H 77 8.446 8.446 8.340 0.106 25469 4591 1 8 . 1 1 78 78 GLN N N 78 118.947 118.947 120.202 -1.255 25469 4592 1 8 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.656 0.075 25469 4593 1 8 . 1 1 78 78 GLN C C 78 174.047 174.047 174.835 -0.788 25469 4594 1 8 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.430 -0.169 25469 4595 1 8 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.633 0.471 25469 4596 1 8 . 1 1 78 78 GLN H H 78 7.708 7.708 8.121 -0.413 25469 4597 1 8 . 1 1 79 79 VAL N N 79 123.383 123.383 126.976 -3.593 25469 4598 1 8 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.468 -0.454 25469 4599 1 8 . 1 1 79 79 VAL C C 79 176.348 176.348 176.344 0.004 25469 4600 1 8 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.610 -0.942 25469 4601 1 8 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.280 -0.151 25469 4602 1 8 . 1 1 79 79 VAL H H 79 8.570 8.570 8.536 0.034 25469 4603 1 8 . 1 1 80 80 LEU N N 80 128.544 128.544 126.434 2.110 25469 4604 1 8 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.699 -0.391 25469 4605 1 8 . 1 1 80 80 LEU C C 80 176.522 176.522 176.235 0.287 25469 4606 1 8 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.399 2.502 25469 4607 1 8 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.910 -1.011 25469 4608 1 8 . 1 1 80 80 LEU H H 80 9.002 9.002 8.445 0.557 25469 4609 1 8 . 1 1 81 81 ASP N N 81 124.135 124.135 121.855 2.280 25469 4610 1 8 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.237 -0.016 25469 4611 1 8 . 1 1 81 81 ASP C C 81 174.660 174.660 174.745 -0.085 25469 4612 1 8 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.090 -0.103 25469 4613 1 8 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.574 0.193 25469 4614 1 8 . 1 1 81 81 ASP H H 81 7.718 7.718 8.345 -0.627 25469 4615 1 8 . 1 1 82 82 ILE N N 82 123.344 123.344 125.200 -1.856 25469 4616 1 8 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.824 0.573 25469 4617 1 8 . 1 1 82 82 ILE C C 82 174.521 174.521 174.662 -0.141 25469 4618 1 8 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.856 -0.722 25469 4619 1 8 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.710 0.257 25469 4620 1 8 . 1 1 82 82 ILE H H 82 9.071 9.071 8.880 0.191 25469 4621 1 8 . 1 1 83 83 ASN N N 83 116.447 116.447 123.537 -7.090 25469 4622 1 8 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.057 -0.215 25469 4623 1 8 . 1 1 83 83 ASN C C 83 174.566 174.566 173.445 1.121 25469 4624 1 8 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.436 0.692 25469 4625 1 8 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.580 0.494 25469 4626 1 8 . 1 1 83 83 ASN H H 83 8.494 8.494 8.621 -0.127 25469 4627 1 8 . 1 1 84 84 LEU N N 84 123.786 123.786 122.735 1.051 25469 4628 1 8 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.356 0.364 25469 4629 1 8 . 1 1 84 84 LEU C C 84 180.969 180.969 178.311 2.658 25469 4630 1 8 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.453 -0.096 25469 4631 1 8 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.397 -2.078 25469 4632 1 8 . 1 1 84 84 LEU H H 84 9.414 9.414 8.782 0.632 25469 4633 1 8 . 1 1 85 85 ALA N N 85 127.577 127.577 129.155 -1.578 25469 4634 1 8 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.354 -0.306 25469 4635 1 8 . 1 1 85 85 ALA C C 85 177.932 177.932 176.804 1.128 25469 4636 1 8 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.264 2.085 25469 4637 1 8 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.065 -1.078 25469 4638 1 8 . 1 1 85 85 ALA H H 85 9.279 9.279 8.312 0.967 25469 4639 1 8 . 1 1 86 86 ALA N N 86 116.071 116.071 117.580 -1.509 25469 4640 1 8 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.421 -0.010 25469 4641 1 8 . 1 1 86 86 ALA C C 86 176.153 176.153 176.656 -0.503 25469 4642 1 8 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.038 -0.309 25469 4643 1 8 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.587 -0.277 25469 4644 1 8 . 1 1 86 86 ALA H H 86 8.687 8.687 8.103 0.584 25469 4645 1 8 . 1 1 87 87 GLU N N 87 118.959 118.959 119.586 -0.627 25469 4646 1 8 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.635 0.101 25469 4647 1 8 . 1 1 87 87 GLU C C 87 171.677 171.677 173.944 -2.267 25469 4648 1 8 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.410 -0.238 25469 4649 1 8 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.275 -0.302 25469 4650 1 8 . 1 1 87 87 GLU H H 87 7.901 7.901 7.784 0.117 25469 4651 1 8 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.426 -0.083 25469 4652 1 8 . 1 1 88 88 PRO C C 88 177.303 177.303 176.206 1.097 25469 4653 1 8 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.323 -0.405 25469 4654 1 8 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.346 -0.448 25469 4655 1 8 . 1 1 89 89 LYS N N 89 121.298 121.298 121.280 0.018 25469 4656 1 8 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.459 -0.232 25469 4657 1 8 . 1 1 89 89 LYS C C 89 177.690 177.690 176.240 1.450 25469 4658 1 8 . 1 1 89 89 LYS CA C 89 56.802 56.802 56.024 0.778 25469 4659 1 8 . 1 1 89 89 LYS CB C 89 33.504 33.504 33.201 0.303 25469 4660 1 8 . 1 1 89 89 LYS H H 89 7.973 7.973 8.482 -0.509 25469 4661 1 8 . 1 1 90 90 VAL N N 90 120.788 120.788 113.916 6.872 25469 4662 1 8 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.402 -0.473 25469 4663 1 8 . 1 1 90 90 VAL C C 90 176.170 176.170 176.127 0.043 25469 4664 1 8 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.846 0.370 25469 4665 1 8 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.430 -0.084 25469 4666 1 8 . 1 1 90 90 VAL H H 90 8.216 8.216 8.192 0.024 25469 4667 1 8 . 1 1 91 91 ASN N N 91 119.438 119.438 119.822 -0.384 25469 4668 1 8 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.605 0.054 25469 4669 1 8 . 1 1 91 91 ASN C C 91 175.173 175.173 175.101 0.072 25469 4670 1 8 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.927 -0.890 25469 4671 1 8 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.470 -0.303 25469 4672 1 8 . 1 1 91 91 ASN H H 91 8.451 8.451 8.291 0.160 25469 4673 1 8 . 1 1 92 92 ARG N N 92 120.958 120.958 121.425 -0.467 25469 4674 1 8 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.307 -0.070 25469 4675 1 8 . 1 1 92 92 ARG C C 92 177.002 177.002 176.564 0.438 25469 4676 1 8 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.289 0.354 25469 4677 1 8 . 1 1 92 92 ARG CB C 92 30.526 30.526 29.483 1.042 25469 4678 1 8 . 1 1 92 92 ARG H H 92 7.978 7.978 7.894 0.084 25469 4679 1 8 . 1 1 93 93 GLY N N 93 110.275 110.275 112.808 -2.533 25469 4680 1 8 . 1 1 93 93 GLY C C 93 174.246 174.246 174.436 -0.190 25469 4681 1 8 . 1 1 93 93 GLY CA C 93 45.384 45.384 44.839 0.545 25469 4682 1 8 . 1 1 93 93 GLY H H 93 8.604 8.604 7.986 0.618 25469 4683 1 8 . 1 1 94 94 LYS N N 94 120.750 120.750 118.302 2.448 25469 4684 1 8 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.509 -0.212 25469 4685 1 8 . 1 1 94 94 LYS C C 94 176.525 176.525 175.419 1.106 25469 4686 1 8 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.236 -0.192 25469 4687 1 8 . 1 1 94 94 LYS CB C 94 33.025 33.025 34.037 -1.012 25469 4688 1 8 . 1 1 94 94 LYS H H 94 8.113 8.113 8.347 -0.234 25469 4689 1 8 . 1 1 95 95 ALA N N 95 124.912 124.912 121.770 3.142 25469 4690 1 8 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.694 -0.395 25469 4691 1 8 . 1 1 95 95 ALA C C 95 178.325 178.325 176.550 1.775 25469 4692 1 8 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.749 1.003 25469 4693 1 8 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.956 -1.816 25469 4694 1 8 . 1 1 95 95 ALA H H 95 8.367 8.367 7.477 0.890 25469 4695 1 8 . 1 1 96 96 GLY N N 96 108.328 108.328 107.391 0.937 25469 4696 1 8 . 1 1 96 96 GLY C C 96 174.096 174.096 173.941 0.155 25469 4697 1 8 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.699 -0.458 25469 4698 1 8 . 1 1 96 96 GLY H H 96 8.390 8.390 8.824 -0.434 25469 4699 1 8 . 1 1 97 97 VAL N N 97 119.774 119.774 117.889 1.885 25469 4700 1 8 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.205 -0.128 25469 4701 1 8 . 1 1 97 97 VAL C C 97 176.156 176.156 175.626 0.530 25469 4702 1 8 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.739 0.560 25469 4703 1 8 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.702 -0.848 25469 4704 1 8 . 1 1 97 97 VAL H H 97 7.925 7.925 7.340 0.585 25469 4705 1 8 . 1 1 98 98 LYS N N 98 126.024 126.024 127.946 -1.922 25469 4706 1 8 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.573 -0.247 25469 4707 1 8 . 1 1 98 98 LYS C C 98 176.427 176.427 175.652 0.775 25469 4708 1 8 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.154 -0.053 25469 4709 1 8 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.014 0.047 25469 4710 1 8 . 1 1 98 98 LYS H H 98 8.473 8.473 8.416 0.057 25469 4711 1 8 . 1 1 99 99 ARG N N 99 123.644 123.644 119.205 4.439 25469 4712 1 8 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.512 -0.133 25469 4713 1 8 . 1 1 99 99 ARG C C 99 176.231 176.231 176.458 -0.227 25469 4714 1 8 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.152 0.780 25469 4715 1 8 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.168 -0.901 25469 4716 1 8 . 1 1 99 99 ARG H H 99 8.464 8.464 7.563 0.901 25469 4717 1 8 . 1 1 100 100 SER N N 100 117.863 117.863 118.173 -0.310 25469 4718 1 8 . 1 1 100 100 SER HA H 100 4.449 4.449 4.405 0.044 25469 4719 1 8 . 1 1 100 100 SER C C 100 174.556 174.556 174.991 -0.435 25469 4720 1 8 . 1 1 100 100 SER CA C 100 57.985 57.985 59.733 -1.748 25469 4721 1 8 . 1 1 100 100 SER CB C 100 64.167 64.167 63.355 0.812 25469 4722 1 8 . 1 1 100 100 SER H H 100 8.516 8.516 8.573 -0.057 25469 4723 1 8 . 1 1 101 101 ALA N N 101 126.048 126.048 122.279 3.769 25469 4724 1 8 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.070 0.187 25469 4725 1 8 . 1 1 101 101 ALA C C 101 178.047 178.047 177.598 0.449 25469 4726 1 8 . 1 1 101 101 ALA CA C 101 53.348 53.348 54.236 -0.888 25469 4727 1 8 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.255 1.690 25469 4728 1 8 . 1 1 101 101 ALA H H 101 8.538 8.538 8.165 0.373 25469 4729 1 8 . 1 1 102 102 ALA N N 102 121.566 121.566 119.548 2.018 25469 4730 1 8 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.610 -0.385 25469 4731 1 8 . 1 1 102 102 ALA C C 102 178.254 178.254 178.098 0.156 25469 4732 1 8 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.134 0.911 25469 4733 1 8 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.501 -0.458 25469 4734 1 8 . 1 1 102 102 ALA H H 102 8.212 8.212 8.127 0.085 25469 4735 1 8 . 1 1 103 103 GLU N N 103 118.735 118.735 119.086 -0.351 25469 4736 1 8 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.190 0.011 25469 4737 1 8 . 1 1 103 103 GLU C C 103 176.516 176.516 176.996 -0.480 25469 4738 1 8 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.944 -1.288 25469 4739 1 8 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.167 1.060 25469 4740 1 8 . 1 1 103 103 GLU H H 103 8.071 8.071 8.897 -0.826 25469 4741 1 8 . 1 1 104 104 MET N N 104 120.106 120.106 116.949 3.157 25469 4742 1 8 . 1 1 104 104 MET HA H 104 4.326 4.326 4.428 -0.102 25469 4743 1 8 . 1 1 104 104 MET C C 104 175.862 175.862 174.904 0.958 25469 4744 1 8 . 1 1 104 104 MET CA C 104 55.939 55.939 55.587 0.352 25469 4745 1 8 . 1 1 104 104 MET CB C 104 32.999 32.999 33.008 -0.009 25469 4746 1 8 . 1 1 104 104 MET H H 104 8.073 8.073 7.926 0.147 25469 4747 1 8 . 1 1 105 105 TYR N N 105 120.285 120.285 116.519 3.766 25469 4748 1 8 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.733 -0.080 25469 4749 1 8 . 1 1 105 105 TYR C C 105 175.319 175.319 175.802 -0.483 25469 4750 1 8 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.859 -0.264 25469 4751 1 8 . 1 1 105 105 TYR CB C 105 38.939 38.939 40.080 -1.141 25469 4752 1 8 . 1 1 105 105 TYR H H 105 8.126 8.126 7.759 0.367 25469 4753 1 9 . 1 1 3 3 SER HA H 3 4.553 4.553 4.546 0.007 25469 4754 1 9 . 1 1 3 3 SER C C 3 173.408 173.408 175.628 -2.220 25469 4755 1 9 . 1 1 3 3 SER CA C 3 58.273 58.273 56.862 1.411 25469 4756 1 9 . 1 1 3 3 SER CB C 3 63.940 63.940 64.309 -0.369 25469 4757 1 9 . 1 1 4 4 ASN N N 4 120.235 120.235 120.121 0.114 25469 4758 1 9 . 1 1 4 4 ASN HA H 4 5.217 5.217 5.038 0.179 25469 4759 1 9 . 1 1 4 4 ASN C C 4 176.243 176.243 175.157 1.086 25469 4760 1 9 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.400 -0.356 25469 4761 1 9 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.593 0.139 25469 4762 1 9 . 1 1 4 4 ASN H H 4 8.774 8.774 8.649 0.125 25469 4763 1 9 . 1 1 5 5 VAL N N 5 122.554 122.554 120.571 1.983 25469 4764 1 9 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.153 -0.384 25469 4765 1 9 . 1 1 5 5 VAL C C 5 177.223 177.223 175.416 1.807 25469 4766 1 9 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.804 3.007 25469 4767 1 9 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.413 -1.539 25469 4768 1 9 . 1 1 5 5 VAL H H 5 8.315 8.315 7.317 0.998 25469 4769 1 9 . 1 1 6 6 THR N N 6 118.503 118.503 115.509 2.994 25469 4770 1 9 . 1 1 6 6 THR HA H 6 4.678 4.678 4.410 0.268 25469 4771 1 9 . 1 1 6 6 THR C C 6 174.350 174.350 173.534 0.816 25469 4772 1 9 . 1 1 6 6 THR CA C 6 60.560 60.560 61.185 -0.625 25469 4773 1 9 . 1 1 6 6 THR CB C 6 69.833 69.833 69.812 0.021 25469 4774 1 9 . 1 1 6 6 THR H H 6 9.394 9.394 8.321 1.073 25469 4775 1 9 . 1 1 7 7 ASN N N 7 120.872 120.872 120.284 0.588 25469 4776 1 9 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.649 -0.093 25469 4777 1 9 . 1 1 7 7 ASN C C 7 176.866 176.866 173.725 3.141 25469 4778 1 9 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.598 -0.701 25469 4779 1 9 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.305 -0.223 25469 4780 1 9 . 1 1 7 7 ASN H H 7 7.976 7.976 8.161 -0.185 25469 4781 1 9 . 1 1 8 8 LYS N N 8 121.728 121.728 123.321 -1.593 25469 4782 1 9 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.671 -0.415 25469 4783 1 9 . 1 1 8 8 LYS C C 8 180.142 180.142 175.562 4.580 25469 4784 1 9 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.578 2.622 25469 4785 1 9 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.426 -3.134 25469 4786 1 9 . 1 1 8 8 LYS H H 8 8.572 8.572 8.056 0.515 25469 4787 1 9 . 1 1 9 9 THR N N 9 110.858 110.858 111.671 -0.813 25469 4788 1 9 . 1 1 9 9 THR HA H 9 4.463 4.463 4.421 0.042 25469 4789 1 9 . 1 1 9 9 THR C C 9 174.485 174.485 173.721 0.764 25469 4790 1 9 . 1 1 9 9 THR CA C 9 61.246 61.246 61.126 0.120 25469 4791 1 9 . 1 1 9 9 THR CB C 9 69.039 69.039 69.132 -0.093 25469 4792 1 9 . 1 1 9 9 THR H H 9 8.691 8.691 8.627 0.064 25469 4793 1 9 . 1 1 10 10 ASP N N 10 121.014 121.014 123.679 -2.665 25469 4794 1 9 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.723 0.102 25469 4795 1 9 . 1 1 10 10 ASP C C 10 173.946 173.946 176.841 -2.895 25469 4796 1 9 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.520 -0.956 25469 4797 1 9 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.389 -1.788 25469 4798 1 9 . 1 1 10 10 ASP H H 10 7.907 7.907 7.939 -0.032 25469 4799 1 9 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.356 -0.201 25469 4800 1 9 . 1 1 11 11 PRO C C 11 178.421 178.421 176.614 1.807 25469 4801 1 9 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.688 1.553 25469 4802 1 9 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.145 0.053 25469 4803 1 9 . 1 1 12 12 ARG N N 12 116.361 116.361 116.563 -0.202 25469 4804 1 9 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.540 -0.448 25469 4805 1 9 . 1 1 12 12 ARG C C 12 180.446 180.446 177.156 3.290 25469 4806 1 9 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.719 1.816 25469 4807 1 9 . 1 1 12 12 ARG CB C 12 29.250 29.250 30.998 -1.748 25469 4808 1 9 . 1 1 12 12 ARG H H 12 7.940 7.940 8.096 -0.156 25469 4809 1 9 . 1 1 13 13 SER N N 13 119.379 119.379 117.022 2.357 25469 4810 1 9 . 1 1 13 13 SER HA H 13 4.052 4.052 4.374 -0.322 25469 4811 1 9 . 1 1 13 13 SER C C 13 178.762 178.762 175.482 3.280 25469 4812 1 9 . 1 1 13 13 SER CA C 13 61.529 61.529 62.137 -0.608 25469 4813 1 9 . 1 1 13 13 SER CB C 13 61.778 61.778 63.123 -1.345 25469 4814 1 9 . 1 1 13 13 SER H H 13 8.143 8.143 8.409 -0.266 25469 4815 1 9 . 1 1 14 14 MET N N 14 120.327 120.327 114.178 6.149 25469 4816 1 9 . 1 1 14 14 MET HA H 14 4.097 4.097 4.481 -0.384 25469 4817 1 9 . 1 1 14 14 MET C C 14 178.576 178.576 175.174 3.402 25469 4818 1 9 . 1 1 14 14 MET CA C 14 58.293 58.293 57.307 0.986 25469 4819 1 9 . 1 1 14 14 MET CB C 14 31.813 31.813 32.740 -0.927 25469 4820 1 9 . 1 1 14 14 MET H H 14 8.238 8.238 7.757 0.481 25469 4821 1 9 . 1 1 15 15 ASN N N 15 115.378 115.378 117.069 -1.691 25469 4822 1 9 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.945 -0.320 25469 4823 1 9 . 1 1 15 15 ASN C C 15 172.556 172.556 176.737 -4.181 25469 4824 1 9 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.491 -0.462 25469 4825 1 9 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.670 -2.021 25469 4826 1 9 . 1 1 15 15 ASN H H 15 7.968 7.968 7.669 0.299 25469 4827 1 9 . 1 1 16 16 SER N N 16 106.215 106.215 115.606 -9.391 25469 4828 1 9 . 1 1 16 16 SER HA H 16 4.495 4.495 4.541 -0.046 25469 4829 1 9 . 1 1 16 16 SER C C 16 172.121 172.121 173.460 -1.339 25469 4830 1 9 . 1 1 16 16 SER CA C 16 56.785 56.785 59.755 -2.970 25469 4831 1 9 . 1 1 16 16 SER CB C 16 63.428 63.428 63.478 -0.050 25469 4832 1 9 . 1 1 16 16 SER H H 16 7.253 7.253 7.975 -0.722 25469 4833 1 9 . 1 1 17 17 ARG N N 17 123.348 123.348 121.896 1.452 25469 4834 1 9 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.184 0.408 25469 4835 1 9 . 1 1 17 17 ARG C C 17 174.491 174.491 174.735 -0.244 25469 4836 1 9 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.131 -0.752 25469 4837 1 9 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.459 -0.550 25469 4838 1 9 . 1 1 17 17 ARG H H 17 7.405 7.405 7.603 -0.198 25469 4839 1 9 . 1 1 18 18 VAL N N 18 122.328 122.328 123.533 -1.205 25469 4840 1 9 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.641 0.068 25469 4841 1 9 . 1 1 18 18 VAL C C 18 174.863 174.863 174.084 0.779 25469 4842 1 9 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.320 -0.663 25469 4843 1 9 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.260 -0.958 25469 4844 1 9 . 1 1 18 18 VAL H H 18 9.260 9.260 9.066 0.194 25469 4845 1 9 . 1 1 19 19 PHE N N 19 126.010 126.010 128.838 -2.828 25469 4846 1 9 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.324 0.142 25469 4847 1 9 . 1 1 19 19 PHE C C 19 171.967 171.967 173.439 -1.472 25469 4848 1 9 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.128 1.981 25469 4849 1 9 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.494 -0.471 25469 4850 1 9 . 1 1 19 19 PHE H H 19 9.159 9.159 9.328 -0.169 25469 4851 1 9 . 1 1 20 20 ILE N N 20 126.422 126.422 127.446 -1.024 25469 4852 1 9 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.112 -0.251 25469 4853 1 9 . 1 1 20 20 ILE C C 20 173.050 173.050 174.493 -1.443 25469 4854 1 9 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.967 -0.619 25469 4855 1 9 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.106 1.094 25469 4856 1 9 . 1 1 20 20 ILE H H 20 7.716 7.716 8.474 -0.758 25469 4857 1 9 . 1 1 21 21 GLY N N 21 113.182 113.182 111.172 2.010 25469 4858 1 9 . 1 1 21 21 GLY C C 21 173.769 173.769 173.692 0.077 25469 4859 1 9 . 1 1 21 21 GLY CA C 21 43.860 43.860 42.975 0.885 25469 4860 1 9 . 1 1 21 21 GLY H H 21 8.550 8.550 7.981 0.569 25469 4861 1 9 . 1 1 22 22 ASN N N 22 116.072 116.072 115.474 0.598 25469 4862 1 9 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.296 0.051 25469 4863 1 9 . 1 1 22 22 ASN C C 22 174.205 174.205 174.091 0.114 25469 4864 1 9 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.870 -0.437 25469 4865 1 9 . 1 1 22 22 ASN CB C 22 38.826 38.826 38.244 0.582 25469 4866 1 9 . 1 1 22 22 ASN H H 22 7.291 7.291 8.612 -1.321 25469 4867 1 9 . 1 1 23 23 LEU N N 23 118.873 118.873 118.342 0.531 25469 4868 1 9 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.652 -0.724 25469 4869 1 9 . 1 1 23 23 LEU C C 23 176.551 176.551 176.244 0.307 25469 4870 1 9 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.379 -0.714 25469 4871 1 9 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.266 0.083 25469 4872 1 9 . 1 1 23 23 LEU H H 23 7.279 7.279 7.987 -0.708 25469 4873 1 9 . 1 1 24 24 ASN N N 24 124.260 124.260 123.013 1.247 25469 4874 1 9 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.463 0.296 25469 4875 1 9 . 1 1 24 24 ASN C C 24 175.831 175.831 175.811 0.020 25469 4876 1 9 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.722 -4.082 25469 4877 1 9 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.441 -2.886 25469 4878 1 9 . 1 1 24 24 ASN H H 24 9.075 9.075 8.774 0.301 25469 4879 1 9 . 1 1 25 25 THR N N 25 118.101 118.101 106.866 11.235 25469 4880 1 9 . 1 1 25 25 THR HA H 25 4.377 4.377 4.097 0.280 25469 4881 1 9 . 1 1 25 25 THR C C 25 175.286 175.286 174.326 0.960 25469 4882 1 9 . 1 1 25 25 THR CA C 25 63.324 63.324 63.848 -0.524 25469 4883 1 9 . 1 1 25 25 THR CB C 25 67.439 67.439 67.259 0.180 25469 4884 1 9 . 1 1 25 25 THR H H 25 8.226 8.226 8.052 0.174 25469 4885 1 9 . 1 1 26 26 LEU N N 26 121.285 121.285 117.849 3.436 25469 4886 1 9 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.295 0.016 25469 4887 1 9 . 1 1 26 26 LEU C C 26 178.244 178.244 177.148 1.096 25469 4888 1 9 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.393 0.921 25469 4889 1 9 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.139 -0.811 25469 4890 1 9 . 1 1 26 26 LEU H H 26 7.670 7.670 7.633 0.037 25469 4891 1 9 . 1 1 27 27 VAL N N 27 114.562 114.562 115.163 -0.601 25469 4892 1 9 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.190 -0.143 25469 4893 1 9 . 1 1 27 27 VAL C C 27 175.200 175.200 175.750 -0.550 25469 4894 1 9 . 1 1 27 27 VAL CA C 27 63.031 63.031 63.132 -0.101 25469 4895 1 9 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.676 2.506 25469 4896 1 9 . 1 1 27 27 VAL H H 27 6.790 6.790 7.535 -0.745 25469 4897 1 9 . 1 1 28 28 VAL N N 28 121.996 121.996 120.045 1.951 25469 4898 1 9 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.157 -0.298 25469 4899 1 9 . 1 1 28 28 VAL C C 28 174.352 174.352 175.089 -0.737 25469 4900 1 9 . 1 1 28 28 VAL CA C 28 63.192 63.192 62.067 1.125 25469 4901 1 9 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.820 -0.879 25469 4902 1 9 . 1 1 28 28 VAL H H 28 8.276 8.276 7.772 0.504 25469 4903 1 9 . 1 1 29 29 LYS N N 29 124.228 124.228 123.753 0.475 25469 4904 1 9 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.727 -0.125 25469 4905 1 9 . 1 1 29 29 LYS C C 29 177.959 177.959 176.626 1.333 25469 4906 1 9 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.979 -1.333 25469 4907 1 9 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.613 -1.218 25469 4908 1 9 . 1 1 29 29 LYS H H 29 8.925 8.925 7.974 0.951 25469 4909 1 9 . 1 1 30 30 LYS N N 30 123.350 123.350 120.602 2.748 25469 4910 1 9 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.045 -0.391 25469 4911 1 9 . 1 1 30 30 LYS C C 30 177.639 177.639 177.011 0.628 25469 4912 1 9 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.466 2.934 25469 4913 1 9 . 1 1 30 30 LYS CB C 30 32.649 32.649 32.109 0.540 25469 4914 1 9 . 1 1 30 30 LYS H H 30 8.993 8.993 8.637 0.356 25469 4915 1 9 . 1 1 31 31 SER N N 31 111.465 111.465 111.674 -0.209 25469 4916 1 9 . 1 1 31 31 SER HA H 31 4.167 4.167 4.744 -0.577 25469 4917 1 9 . 1 1 31 31 SER C C 31 177.617 177.617 174.890 2.727 25469 4918 1 9 . 1 1 31 31 SER CA C 31 61.389 61.389 58.651 2.739 25469 4919 1 9 . 1 1 31 31 SER CB C 31 61.533 61.533 63.737 -2.204 25469 4920 1 9 . 1 1 31 31 SER H H 31 8.669 8.669 8.065 0.604 25469 4921 1 9 . 1 1 32 32 ASP N N 32 122.187 122.187 122.397 -0.210 25469 4922 1 9 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.807 -0.287 25469 4923 1 9 . 1 1 32 32 ASP C C 32 178.194 178.194 178.464 -0.270 25469 4924 1 9 . 1 1 32 32 ASP CA C 32 57.188 57.188 56.151 1.037 25469 4925 1 9 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.046 -0.199 25469 4926 1 9 . 1 1 32 32 ASP H H 32 7.141 7.141 8.009 -0.868 25469 4927 1 9 . 1 1 33 33 VAL N N 33 120.138 120.138 120.022 0.116 25469 4928 1 9 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.971 -0.510 25469 4929 1 9 . 1 1 33 33 VAL C C 33 178.624 178.624 176.657 1.967 25469 4930 1 9 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.754 0.620 25469 4931 1 9 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.683 -0.398 25469 4932 1 9 . 1 1 33 33 VAL H H 33 7.956 7.956 8.256 -0.300 25469 4933 1 9 . 1 1 34 34 GLU N N 34 118.717 118.717 116.628 2.089 25469 4934 1 9 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.235 -0.481 25469 4935 1 9 . 1 1 34 34 GLU C C 34 178.701 178.701 175.970 2.731 25469 4936 1 9 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.467 3.038 25469 4937 1 9 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.794 0.550 25469 4938 1 9 . 1 1 34 34 GLU H H 34 8.637 8.637 8.425 0.212 25469 4939 1 9 . 1 1 35 35 ALA N N 35 121.541 121.541 120.169 1.372 25469 4940 1 9 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.587 -0.438 25469 4941 1 9 . 1 1 35 35 ALA C C 35 180.483 180.483 177.288 3.195 25469 4942 1 9 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.739 2.777 25469 4943 1 9 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.339 -2.291 25469 4944 1 9 . 1 1 35 35 ALA H H 35 7.823 7.823 7.954 -0.131 25469 4945 1 9 . 1 1 36 36 ILE N N 36 117.449 117.449 117.104 0.345 25469 4946 1 9 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.062 -0.399 25469 4947 1 9 . 1 1 36 36 ILE C C 36 178.665 178.665 175.863 2.802 25469 4948 1 9 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.759 2.052 25469 4949 1 9 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.685 0.105 25469 4950 1 9 . 1 1 36 36 ILE H H 36 7.773 7.773 7.542 0.231 25469 4951 1 9 . 1 1 37 37 PHE N N 37 113.524 113.524 117.157 -3.633 25469 4952 1 9 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.970 -0.612 25469 4953 1 9 . 1 1 37 37 PHE C C 37 179.593 179.593 177.501 2.092 25469 4954 1 9 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.300 3.380 25469 4955 1 9 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.409 -3.199 25469 4956 1 9 . 1 1 37 37 PHE H H 37 8.566 8.566 8.355 0.211 25469 4957 1 9 . 1 1 38 38 SER N N 38 122.025 122.025 115.094 6.931 25469 4958 1 9 . 1 1 38 38 SER HA H 38 4.821 4.821 4.738 0.083 25469 4959 1 9 . 1 1 38 38 SER C C 38 175.439 175.439 175.521 -0.082 25469 4960 1 9 . 1 1 38 38 SER CA C 38 61.519 61.519 60.209 1.310 25469 4961 1 9 . 1 1 38 38 SER CB C 38 62.765 62.765 63.542 -0.777 25469 4962 1 9 . 1 1 38 38 SER H H 38 8.834 8.834 8.532 0.302 25469 4963 1 9 . 1 1 39 39 LYS N N 39 119.387 119.387 118.796 0.591 25469 4964 1 9 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.099 -0.138 25469 4965 1 9 . 1 1 39 39 LYS C C 39 177.064 177.064 176.135 0.929 25469 4966 1 9 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.321 0.958 25469 4967 1 9 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.438 0.148 25469 4968 1 9 . 1 1 39 39 LYS H H 39 7.054 7.054 8.039 -0.985 25469 4969 1 9 . 1 1 40 40 TYR N N 40 114.433 114.433 118.681 -4.248 25469 4970 1 9 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.586 -0.309 25469 4971 1 9 . 1 1 40 40 TYR C C 40 174.842 174.842 174.913 -0.071 25469 4972 1 9 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.029 0.821 25469 4973 1 9 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.028 -1.601 25469 4974 1 9 . 1 1 40 40 TYR H H 40 6.956 6.956 7.405 -0.449 25469 4975 1 9 . 1 1 41 41 GLY N N 41 106.514 106.514 103.677 2.837 25469 4976 1 9 . 1 1 41 41 GLY C C 41 170.573 170.573 171.814 -1.241 25469 4977 1 9 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.832 -0.276 25469 4978 1 9 . 1 1 41 41 GLY H H 41 7.428 7.428 7.305 0.123 25469 4979 1 9 . 1 1 42 42 LYS N N 42 117.788 117.788 121.687 -3.899 25469 4980 1 9 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.377 -0.180 25469 4981 1 9 . 1 1 42 42 LYS C C 42 176.536 176.536 176.033 0.503 25469 4982 1 9 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.637 0.499 25469 4983 1 9 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.705 0.262 25469 4984 1 9 . 1 1 42 42 LYS H H 42 8.034 8.034 8.473 -0.439 25469 4985 1 9 . 1 1 43 43 ILE N N 43 127.104 127.104 127.406 -0.302 25469 4986 1 9 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.440 -0.416 25469 4987 1 9 . 1 1 43 43 ILE C C 43 176.993 176.993 176.496 0.497 25469 4988 1 9 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.771 -0.391 25469 4989 1 9 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.642 0.271 25469 4990 1 9 . 1 1 43 43 ILE H H 43 8.711 8.711 8.639 0.072 25469 4991 1 9 . 1 1 44 44 VAL N N 44 121.993 121.993 120.531 1.462 25469 4992 1 9 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.501 -0.137 25469 4993 1 9 . 1 1 44 44 VAL C C 44 176.853 176.853 175.320 1.533 25469 4994 1 9 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.915 0.943 25469 4995 1 9 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.262 -0.710 25469 4996 1 9 . 1 1 44 44 VAL H H 44 8.711 8.711 8.746 -0.035 25469 4997 1 9 . 1 1 45 45 GLY N N 45 109.507 109.507 107.301 2.206 25469 4998 1 9 . 1 1 45 45 GLY C C 45 171.266 171.266 171.724 -0.458 25469 4999 1 9 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.621 -0.612 25469 5000 1 9 . 1 1 45 45 GLY H H 45 7.530 7.530 7.427 0.103 25469 5001 1 9 . 1 1 46 46 CYS N N 46 124.546 124.546 120.661 3.885 25469 5002 1 9 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.433 -0.402 25469 5003 1 9 . 1 1 46 46 CYS C C 46 172.073 172.073 172.432 -0.359 25469 5004 1 9 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.800 0.163 25469 5005 1 9 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.351 -3.009 25469 5006 1 9 . 1 1 46 46 CYS H H 46 8.982 8.982 9.190 -0.208 25469 5007 1 9 . 1 1 47 47 SER N N 47 122.933 122.933 119.047 3.886 25469 5008 1 9 . 1 1 47 47 SER HA H 47 4.908 4.908 4.823 0.085 25469 5009 1 9 . 1 1 47 47 SER C C 47 171.849 171.849 172.004 -0.155 25469 5010 1 9 . 1 1 47 47 SER CA C 47 56.585 56.585 57.146 -0.561 25469 5011 1 9 . 1 1 47 47 SER CB C 47 65.733 65.733 64.773 0.960 25469 5012 1 9 . 1 1 47 47 SER H H 47 8.569 8.569 8.799 -0.230 25469 5013 1 9 . 1 1 48 48 VAL N N 48 121.588 121.588 125.417 -3.829 25469 5014 1 9 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.207 -0.069 25469 5015 1 9 . 1 1 48 48 VAL C C 48 173.991 173.991 175.027 -1.036 25469 5016 1 9 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.897 1.413 25469 5017 1 9 . 1 1 48 48 VAL CB C 48 33.924 33.924 33.741 0.183 25469 5018 1 9 . 1 1 48 48 VAL H H 48 8.565 8.565 8.408 0.157 25469 5019 1 9 . 1 1 49 49 HIS N N 49 130.308 130.308 124.342 5.966 25469 5020 1 9 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.708 -0.276 25469 5021 1 9 . 1 1 49 49 HIS C C 49 173.950 173.950 173.794 0.156 25469 5022 1 9 . 1 1 49 49 HIS CA C 49 54.651 54.651 53.785 0.867 25469 5023 1 9 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.577 -1.024 25469 5024 1 9 . 1 1 49 49 HIS H H 49 8.441 8.441 8.860 -0.419 25469 5025 1 9 . 1 1 50 50 LYS N N 50 121.937 121.937 119.890 2.047 25469 5026 1 9 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.954 0.506 25469 5027 1 9 . 1 1 50 50 LYS C C 50 175.528 175.528 177.137 -1.609 25469 5028 1 9 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.931 -0.642 25469 5029 1 9 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.275 -1.797 25469 5030 1 9 . 1 1 50 50 LYS H H 50 7.926 7.926 8.236 -0.310 25469 5031 1 9 . 1 1 51 51 GLY N N 51 114.868 114.868 111.482 3.386 25469 5032 1 9 . 1 1 51 51 GLY C C 51 174.253 174.253 173.126 1.127 25469 5033 1 9 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.136 -0.617 25469 5034 1 9 . 1 1 51 51 GLY H H 51 8.644 8.644 8.637 0.007 25469 5035 1 9 . 1 1 52 52 PHE N N 52 112.790 112.790 115.084 -2.294 25469 5036 1 9 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.634 -0.386 25469 5037 1 9 . 1 1 52 52 PHE C C 52 171.606 171.606 172.918 -1.312 25469 5038 1 9 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.398 0.832 25469 5039 1 9 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.452 -0.407 25469 5040 1 9 . 1 1 52 52 PHE H H 52 7.005 7.005 7.206 -0.201 25469 5041 1 9 . 1 1 53 53 ALA N N 53 119.858 119.858 119.442 0.416 25469 5042 1 9 . 1 1 53 53 ALA HA H 53 4.835 4.835 5.146 -0.311 25469 5043 1 9 . 1 1 53 53 ALA C C 53 173.030 173.030 174.669 -1.639 25469 5044 1 9 . 1 1 53 53 ALA CA C 53 50.346 50.346 50.933 -0.587 25469 5045 1 9 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.597 2.136 25469 5046 1 9 . 1 1 53 53 ALA H H 53 8.724 8.724 8.567 0.157 25469 5047 1 9 . 1 1 54 54 PHE N N 54 112.158 112.158 116.260 -4.102 25469 5048 1 9 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.672 -0.092 25469 5049 1 9 . 1 1 54 54 PHE C C 54 175.765 175.765 174.263 1.502 25469 5050 1 9 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.062 -0.459 25469 5051 1 9 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.520 -0.226 25469 5052 1 9 . 1 1 54 54 PHE H H 54 8.764 8.764 9.093 -0.329 25469 5053 1 9 . 1 1 55 55 VAL N N 55 118.628 118.628 121.126 -2.498 25469 5054 1 9 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.534 -0.322 25469 5055 1 9 . 1 1 55 55 VAL C C 55 172.807 172.807 173.682 -0.875 25469 5056 1 9 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.131 0.746 25469 5057 1 9 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.843 -0.890 25469 5058 1 9 . 1 1 55 55 VAL H H 55 8.310 8.310 9.040 -0.730 25469 5059 1 9 . 1 1 56 56 GLN N N 56 128.402 128.402 124.807 3.595 25469 5060 1 9 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.783 -0.218 25469 5061 1 9 . 1 1 56 56 GLN C C 56 173.894 173.894 174.228 -0.334 25469 5062 1 9 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.869 0.344 25469 5063 1 9 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.848 0.258 25469 5064 1 9 . 1 1 56 56 GLN H H 56 9.253 9.253 8.957 0.296 25469 5065 1 9 . 1 1 57 57 TYR N N 57 127.617 127.617 124.190 3.427 25469 5066 1 9 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.348 -0.067 25469 5067 1 9 . 1 1 57 57 TYR C C 57 175.610 175.610 176.890 -1.280 25469 5068 1 9 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.641 2.050 25469 5069 1 9 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.837 -0.768 25469 5070 1 9 . 1 1 57 57 TYR H H 57 8.919 8.919 8.868 0.051 25469 5071 1 9 . 1 1 58 58 VAL N N 58 116.705 116.705 119.458 -2.753 25469 5072 1 9 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.821 0.292 25469 5073 1 9 . 1 1 58 58 VAL C C 58 175.860 175.860 175.177 0.683 25469 5074 1 9 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.533 -0.504 25469 5075 1 9 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.212 0.837 25469 5076 1 9 . 1 1 58 58 VAL H H 58 9.458 9.458 8.776 0.682 25469 5077 1 9 . 1 1 59 59 ASN N N 59 112.563 112.563 111.466 1.097 25469 5078 1 9 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.884 0.266 25469 5079 1 9 . 1 1 59 59 ASN C C 59 174.483 174.483 175.441 -0.958 25469 5080 1 9 . 1 1 59 59 ASN CA C 59 51.952 51.952 51.834 0.118 25469 5081 1 9 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.592 1.585 25469 5082 1 9 . 1 1 59 59 ASN H H 59 7.230 7.230 7.432 -0.202 25469 5083 1 9 . 1 1 60 60 GLU N N 60 124.320 124.320 120.674 3.646 25469 5084 1 9 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.131 0.184 25469 5085 1 9 . 1 1 60 60 GLU C C 60 178.202 178.202 177.705 0.497 25469 5086 1 9 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.407 -0.626 25469 5087 1 9 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.859 0.519 25469 5088 1 9 . 1 1 60 60 GLU H H 60 8.807 8.807 8.909 -0.102 25469 5089 1 9 . 1 1 61 61 ARG N N 61 118.347 118.347 118.998 -0.651 25469 5090 1 9 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.037 -0.047 25469 5091 1 9 . 1 1 61 61 ARG C C 61 179.341 179.341 178.575 0.766 25469 5092 1 9 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.538 0.930 25469 5093 1 9 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.753 -0.352 25469 5094 1 9 . 1 1 61 61 ARG H H 61 8.620 8.620 8.287 0.333 25469 5095 1 9 . 1 1 62 62 ASN N N 62 118.085 118.085 117.364 0.721 25469 5096 1 9 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.352 -0.075 25469 5097 1 9 . 1 1 62 62 ASN C C 62 174.852 174.852 176.515 -1.663 25469 5098 1 9 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.169 0.296 25469 5099 1 9 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.224 0.783 25469 5100 1 9 . 1 1 62 62 ASN H H 62 7.781 7.781 7.897 -0.116 25469 5101 1 9 . 1 1 63 63 ALA N N 63 119.580 119.580 123.372 -3.792 25469 5102 1 9 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.414 -0.666 25469 5103 1 9 . 1 1 63 63 ALA C C 63 178.862 178.862 179.289 -0.427 25469 5104 1 9 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.870 0.091 25469 5105 1 9 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.783 -0.242 25469 5106 1 9 . 1 1 63 63 ALA H H 63 6.775 6.775 7.379 -0.604 25469 5107 1 9 . 1 1 64 64 ARG N N 64 114.991 114.991 117.473 -2.482 25469 5108 1 9 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.123 -0.283 25469 5109 1 9 . 1 1 64 64 ARG C C 64 179.776 179.776 178.469 1.307 25469 5110 1 9 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.646 2.536 25469 5111 1 9 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.704 -0.457 25469 5112 1 9 . 1 1 64 64 ARG H H 64 8.737 8.737 8.613 0.124 25469 5113 1 9 . 1 1 65 65 ALA N N 65 123.698 123.698 121.428 2.270 25469 5114 1 9 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.294 -0.167 25469 5115 1 9 . 1 1 65 65 ALA C C 65 179.561 179.561 178.555 1.006 25469 5116 1 9 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.522 0.426 25469 5117 1 9 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.348 -0.457 25469 5118 1 9 . 1 1 65 65 ALA H H 65 7.820 7.820 7.537 0.283 25469 5119 1 9 . 1 1 66 66 ALA N N 66 123.811 123.811 120.250 3.561 25469 5120 1 9 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.712 -1.645 25469 5121 1 9 . 1 1 66 66 ALA C C 66 179.260 179.260 179.412 -0.152 25469 5122 1 9 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.532 -0.223 25469 5123 1 9 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.033 0.275 25469 5124 1 9 . 1 1 66 66 ALA H H 66 7.538 7.538 7.394 0.144 25469 5125 1 9 . 1 1 67 67 VAL N N 67 116.571 116.571 118.271 -1.700 25469 5126 1 9 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.679 -0.324 25469 5127 1 9 . 1 1 67 67 VAL C C 67 177.744 177.744 177.581 0.163 25469 5128 1 9 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.780 -0.250 25469 5129 1 9 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.673 0.294 25469 5130 1 9 . 1 1 67 67 VAL H H 67 7.612 7.612 8.224 -0.612 25469 5131 1 9 . 1 1 68 68 ALA N N 68 118.239 118.239 120.380 -2.141 25469 5132 1 9 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.318 -0.197 25469 5133 1 9 . 1 1 68 68 ALA C C 68 180.749 180.749 178.166 2.583 25469 5134 1 9 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.587 0.765 25469 5135 1 9 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.610 -0.513 25469 5136 1 9 . 1 1 68 68 ALA H H 68 7.549 7.549 7.554 -0.005 25469 5137 1 9 . 1 1 69 69 GLY N N 69 103.748 103.748 104.947 -1.199 25469 5138 1 9 . 1 1 69 69 GLY C C 69 175.627 175.627 174.788 0.839 25469 5139 1 9 . 1 1 69 69 GLY CA C 69 46.086 46.086 44.974 1.112 25469 5140 1 9 . 1 1 69 69 GLY H H 69 8.135 8.135 7.320 0.815 25469 5141 1 9 . 1 1 70 70 GLU N N 70 114.571 114.571 116.268 -1.697 25469 5142 1 9 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.347 0.285 25469 5143 1 9 . 1 1 70 70 GLU C C 70 176.392 176.392 174.976 1.416 25469 5144 1 9 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.961 -0.763 25469 5145 1 9 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.976 -0.604 25469 5146 1 9 . 1 1 70 70 GLU H H 70 7.653 7.653 7.589 0.064 25469 5147 1 9 . 1 1 71 71 ASP N N 71 118.127 118.127 121.259 -3.132 25469 5148 1 9 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.359 -0.074 25469 5149 1 9 . 1 1 71 71 ASP C C 71 178.699 178.699 177.035 1.664 25469 5150 1 9 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.937 1.605 25469 5151 1 9 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.162 1.208 25469 5152 1 9 . 1 1 71 71 ASP H H 71 8.026 8.026 7.572 0.454 25469 5153 1 9 . 1 1 72 72 GLY N N 72 114.353 114.353 113.730 0.623 25469 5154 1 9 . 1 1 72 72 GLY C C 72 173.792 173.792 174.360 -0.568 25469 5155 1 9 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.125 0.634 25469 5156 1 9 . 1 1 72 72 GLY H H 72 8.292 8.292 8.079 0.213 25469 5157 1 9 . 1 1 73 73 ARG N N 73 121.996 121.996 118.805 3.191 25469 5158 1 9 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.431 -0.245 25469 5159 1 9 . 1 1 73 73 ARG C C 73 175.188 175.188 174.722 0.466 25469 5160 1 9 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.921 1.555 25469 5161 1 9 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.219 0.100 25469 5162 1 9 . 1 1 73 73 ARG H H 73 7.981 7.981 7.937 0.044 25469 5163 1 9 . 1 1 74 74 MET N N 74 125.120 125.120 120.606 4.514 25469 5164 1 9 . 1 1 74 74 MET HA H 74 4.795 4.795 4.696 0.099 25469 5165 1 9 . 1 1 74 74 MET C C 74 175.727 175.727 174.839 0.888 25469 5166 1 9 . 1 1 74 74 MET CA C 74 55.054 55.054 54.725 0.329 25469 5167 1 9 . 1 1 74 74 MET CB C 74 33.076 33.076 34.322 -1.246 25469 5168 1 9 . 1 1 74 74 MET H H 74 8.710 8.710 8.332 0.378 25469 5169 1 9 . 1 1 75 75 ILE N N 75 127.530 127.530 125.768 1.762 25469 5170 1 9 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.430 -0.043 25469 5171 1 9 . 1 1 75 75 ILE C C 75 175.277 175.277 175.652 -0.375 25469 5172 1 9 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.559 -0.828 25469 5173 1 9 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.395 -0.988 25469 5174 1 9 . 1 1 75 75 ILE H H 75 8.583 8.583 8.857 -0.274 25469 5175 1 9 . 1 1 76 76 ALA N N 76 132.166 132.166 130.100 2.066 25469 5176 1 9 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.993 0.039 25469 5177 1 9 . 1 1 76 76 ALA C C 76 177.206 177.206 177.719 -0.513 25469 5178 1 9 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.220 -0.348 25469 5179 1 9 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.334 -0.086 25469 5180 1 9 . 1 1 76 76 ALA H H 76 9.540 9.540 9.037 0.503 25469 5181 1 9 . 1 1 77 77 GLY N N 77 101.685 101.685 102.816 -1.131 25469 5182 1 9 . 1 1 77 77 GLY C C 77 174.206 174.206 173.882 0.324 25469 5183 1 9 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.879 0.888 25469 5184 1 9 . 1 1 77 77 GLY H H 77 8.446 8.446 8.357 0.089 25469 5185 1 9 . 1 1 78 78 GLN N N 78 118.947 118.947 120.014 -1.067 25469 5186 1 9 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.657 0.074 25469 5187 1 9 . 1 1 78 78 GLN C C 78 174.047 174.047 174.791 -0.744 25469 5188 1 9 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.432 -0.171 25469 5189 1 9 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.817 0.287 25469 5190 1 9 . 1 1 78 78 GLN H H 78 7.708 7.708 8.107 -0.399 25469 5191 1 9 . 1 1 79 79 VAL N N 79 123.383 123.383 126.673 -3.290 25469 5192 1 9 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.478 -0.464 25469 5193 1 9 . 1 1 79 79 VAL C C 79 176.348 176.348 176.341 0.007 25469 5194 1 9 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.646 -0.978 25469 5195 1 9 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.267 -0.138 25469 5196 1 9 . 1 1 79 79 VAL H H 79 8.570 8.570 8.531 0.039 25469 5197 1 9 . 1 1 80 80 LEU N N 80 128.544 128.544 126.317 2.227 25469 5198 1 9 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.695 -0.387 25469 5199 1 9 . 1 1 80 80 LEU C C 80 176.522 176.522 176.138 0.384 25469 5200 1 9 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.327 2.574 25469 5201 1 9 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.995 -1.096 25469 5202 1 9 . 1 1 80 80 LEU H H 80 9.002 9.002 8.468 0.534 25469 5203 1 9 . 1 1 81 81 ASP N N 81 124.135 124.135 121.936 2.199 25469 5204 1 9 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.259 -0.038 25469 5205 1 9 . 1 1 81 81 ASP C C 81 174.660 174.660 174.634 0.026 25469 5206 1 9 . 1 1 81 81 ASP CA C 81 52.987 52.987 52.917 0.070 25469 5207 1 9 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.553 0.214 25469 5208 1 9 . 1 1 81 81 ASP H H 81 7.718 7.718 8.422 -0.704 25469 5209 1 9 . 1 1 82 82 ILE N N 82 123.344 123.344 125.742 -2.398 25469 5210 1 9 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.996 0.401 25469 5211 1 9 . 1 1 82 82 ILE C C 82 174.521 174.521 174.037 0.484 25469 5212 1 9 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.858 -0.724 25469 5213 1 9 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.217 -0.250 25469 5214 1 9 . 1 1 82 82 ILE H H 82 9.071 9.071 8.969 0.102 25469 5215 1 9 . 1 1 83 83 ASN N N 83 116.447 116.447 119.891 -3.444 25469 5216 1 9 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.981 -0.139 25469 5217 1 9 . 1 1 83 83 ASN C C 83 174.566 174.566 173.586 0.980 25469 5218 1 9 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.897 1.231 25469 5219 1 9 . 1 1 83 83 ASN CB C 83 43.074 43.074 40.669 2.405 25469 5220 1 9 . 1 1 83 83 ASN H H 83 8.494 8.494 8.711 -0.217 25469 5221 1 9 . 1 1 84 84 LEU N N 84 123.786 123.786 120.322 3.464 25469 5222 1 9 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.536 0.184 25469 5223 1 9 . 1 1 84 84 LEU C C 84 180.969 180.969 179.076 1.893 25469 5224 1 9 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.432 0.925 25469 5225 1 9 . 1 1 84 84 LEU CB C 84 41.319 41.319 41.149 0.170 25469 5226 1 9 . 1 1 84 84 LEU H H 84 9.414 9.414 8.879 0.535 25469 5227 1 9 . 1 1 85 85 ALA N N 85 127.577 127.577 124.955 2.622 25469 5228 1 9 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.299 -0.251 25469 5229 1 9 . 1 1 85 85 ALA C C 85 177.932 177.932 176.594 1.338 25469 5230 1 9 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.220 2.129 25469 5231 1 9 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.884 -0.897 25469 5232 1 9 . 1 1 85 85 ALA H H 85 9.279 9.279 8.283 0.996 25469 5233 1 9 . 1 1 86 86 ALA N N 86 116.071 116.071 116.112 -0.041 25469 5234 1 9 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.419 -0.008 25469 5235 1 9 . 1 1 86 86 ALA C C 86 176.153 176.153 176.266 -0.113 25469 5236 1 9 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.107 -0.378 25469 5237 1 9 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.959 -0.649 25469 5238 1 9 . 1 1 86 86 ALA H H 86 8.687 8.687 8.099 0.588 25469 5239 1 9 . 1 1 87 87 GLU N N 87 118.959 118.959 119.405 -0.446 25469 5240 1 9 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.746 -0.010 25469 5241 1 9 . 1 1 87 87 GLU C C 87 171.677 171.677 173.785 -2.108 25469 5242 1 9 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.026 0.146 25469 5243 1 9 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.036 -0.063 25469 5244 1 9 . 1 1 87 87 GLU H H 87 7.901 7.901 7.723 0.178 25469 5245 1 9 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.559 -0.216 25469 5246 1 9 . 1 1 88 88 PRO C C 88 177.303 177.303 177.607 -0.304 25469 5247 1 9 . 1 1 88 88 PRO CA C 88 62.918 62.918 62.916 0.002 25469 5248 1 9 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.538 -0.640 25469 5249 1 9 . 1 1 89 89 LYS N N 89 121.298 121.298 121.985 -0.687 25469 5250 1 9 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.039 0.188 25469 5251 1 9 . 1 1 89 89 LYS C C 89 177.690 177.690 176.743 0.947 25469 5252 1 9 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.745 -1.943 25469 5253 1 9 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.094 1.410 25469 5254 1 9 . 1 1 89 89 LYS H H 89 7.973 7.973 8.798 -0.825 25469 5255 1 9 . 1 1 90 90 VAL N N 90 120.788 120.788 115.818 4.970 25469 5256 1 9 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.096 -0.167 25469 5257 1 9 . 1 1 90 90 VAL C C 90 176.170 176.170 174.267 1.903 25469 5258 1 9 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.453 0.764 25469 5259 1 9 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.883 -0.537 25469 5260 1 9 . 1 1 90 90 VAL H H 90 8.216 8.216 7.879 0.337 25469 5261 1 9 . 1 1 91 91 ASN N N 91 119.438 119.438 118.258 1.180 25469 5262 1 9 . 1 1 91 91 ASN HA H 91 4.659 4.659 5.111 -0.452 25469 5263 1 9 . 1 1 91 91 ASN C C 91 175.173 175.173 173.974 1.199 25469 5264 1 9 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.660 0.377 25469 5265 1 9 . 1 1 91 91 ASN CB C 91 38.167 38.167 40.356 -2.189 25469 5266 1 9 . 1 1 91 91 ASN H H 91 8.451 8.451 7.812 0.639 25469 5267 1 9 . 1 1 92 92 ARG N N 92 120.958 120.958 120.716 0.242 25469 5268 1 9 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.442 -0.205 25469 5269 1 9 . 1 1 92 92 ARG C C 92 177.002 177.002 177.002 0.000 25469 5270 1 9 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.617 0.027 25469 5271 1 9 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.921 -0.395 25469 5272 1 9 . 1 1 92 92 ARG H H 92 7.978 7.978 8.378 -0.400 25469 5273 1 9 . 1 1 93 93 GLY N N 93 110.275 110.275 108.192 2.083 25469 5274 1 9 . 1 1 93 93 GLY C C 93 174.246 174.246 174.543 -0.297 25469 5275 1 9 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.298 0.086 25469 5276 1 9 . 1 1 93 93 GLY H H 93 8.604 8.604 7.851 0.753 25469 5277 1 9 . 1 1 94 94 LYS N N 94 120.750 120.750 119.540 1.210 25469 5278 1 9 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.371 -0.074 25469 5279 1 9 . 1 1 94 94 LYS C C 94 176.525 176.525 175.222 1.303 25469 5280 1 9 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.512 -0.468 25469 5281 1 9 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.541 -0.516 25469 5282 1 9 . 1 1 94 94 LYS H H 94 8.113 8.113 8.424 -0.311 25469 5283 1 9 . 1 1 95 95 ALA N N 95 124.912 124.912 121.002 3.910 25469 5284 1 9 . 1 1 95 95 ALA HA H 95 4.299 4.299 5.038 -0.740 25469 5285 1 9 . 1 1 95 95 ALA C C 95 178.325 178.325 176.222 2.103 25469 5286 1 9 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.348 1.404 25469 5287 1 9 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.186 -2.046 25469 5288 1 9 . 1 1 95 95 ALA H H 95 8.367 8.367 7.443 0.924 25469 5289 1 9 . 1 1 96 96 GLY N N 96 108.328 108.328 108.026 0.302 25469 5290 1 9 . 1 1 96 96 GLY C C 96 174.096 174.096 174.212 -0.116 25469 5291 1 9 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.549 -0.308 25469 5292 1 9 . 1 1 96 96 GLY H H 96 8.390 8.390 8.509 -0.119 25469 5293 1 9 . 1 1 97 97 VAL N N 97 119.774 119.774 119.347 0.427 25469 5294 1 9 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.136 -0.059 25469 5295 1 9 . 1 1 97 97 VAL C C 97 176.156 176.156 175.728 0.428 25469 5296 1 9 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.472 -0.173 25469 5297 1 9 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.730 0.124 25469 5298 1 9 . 1 1 97 97 VAL H H 97 7.925 7.925 7.688 0.237 25469 5299 1 9 . 1 1 98 98 LYS N N 98 126.024 126.024 127.088 -1.064 25469 5300 1 9 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.492 -0.167 25469 5301 1 9 . 1 1 98 98 LYS C C 98 176.427 176.427 176.226 0.201 25469 5302 1 9 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.204 -0.103 25469 5303 1 9 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.781 -0.720 25469 5304 1 9 . 1 1 98 98 LYS H H 98 8.473 8.473 8.519 -0.046 25469 5305 1 9 . 1 1 99 99 ARG N N 99 123.644 123.644 120.068 3.576 25469 5306 1 9 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.518 -0.139 25469 5307 1 9 . 1 1 99 99 ARG C C 99 176.231 176.231 176.316 -0.085 25469 5308 1 9 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.031 0.901 25469 5309 1 9 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.886 -0.619 25469 5310 1 9 . 1 1 99 99 ARG H H 99 8.464 8.464 7.601 0.863 25469 5311 1 9 . 1 1 100 100 SER N N 100 117.863 117.863 116.490 1.373 25469 5312 1 9 . 1 1 100 100 SER HA H 100 4.449 4.449 4.363 0.086 25469 5313 1 9 . 1 1 100 100 SER C C 100 174.556 174.556 174.833 -0.277 25469 5314 1 9 . 1 1 100 100 SER CA C 100 57.985 57.985 59.111 -1.126 25469 5315 1 9 . 1 1 100 100 SER CB C 100 64.167 64.167 63.344 0.822 25469 5316 1 9 . 1 1 100 100 SER H H 100 8.516 8.516 9.131 -0.615 25469 5317 1 9 . 1 1 101 101 ALA N N 101 126.048 126.048 120.293 5.755 25469 5318 1 9 . 1 1 101 101 ALA HA H 101 4.257 4.257 3.940 0.317 25469 5319 1 9 . 1 1 101 101 ALA C C 101 178.047 178.047 176.519 1.528 25469 5320 1 9 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.862 -0.514 25469 5321 1 9 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.708 1.237 25469 5322 1 9 . 1 1 101 101 ALA H H 101 8.538 8.538 8.586 -0.048 25469 5323 1 9 . 1 1 102 102 ALA N N 102 121.566 121.566 118.191 3.375 25469 5324 1 9 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.618 -0.393 25469 5325 1 9 . 1 1 102 102 ALA C C 102 178.254 178.254 177.989 0.265 25469 5326 1 9 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.019 1.026 25469 5327 1 9 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.531 -0.488 25469 5328 1 9 . 1 1 102 102 ALA H H 102 8.212 8.212 8.214 -0.002 25469 5329 1 9 . 1 1 103 103 GLU N N 103 118.735 118.735 118.634 0.101 25469 5330 1 9 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.200 0.001 25469 5331 1 9 . 1 1 103 103 GLU C C 103 176.516 176.516 176.997 -0.481 25469 5332 1 9 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.160 -1.504 25469 5333 1 9 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.091 1.136 25469 5334 1 9 . 1 1 103 103 GLU H H 103 8.071 8.071 8.819 -0.748 25469 5335 1 9 . 1 1 104 104 MET N N 104 120.106 120.106 117.011 3.095 25469 5336 1 9 . 1 1 104 104 MET HA H 104 4.326 4.326 4.303 0.023 25469 5337 1 9 . 1 1 104 104 MET C C 104 175.862 175.862 175.471 0.391 25469 5338 1 9 . 1 1 104 104 MET CA C 104 55.939 55.939 55.360 0.579 25469 5339 1 9 . 1 1 104 104 MET CB C 104 32.999 32.999 32.305 0.694 25469 5340 1 9 . 1 1 104 104 MET H H 104 8.073 8.073 8.076 -0.003 25469 5341 1 9 . 1 1 105 105 TYR N N 105 120.285 120.285 116.633 3.652 25469 5342 1 9 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.659 -0.006 25469 5343 1 9 . 1 1 105 105 TYR C C 105 175.319 175.319 176.802 -1.483 25469 5344 1 9 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.510 0.086 25469 5345 1 9 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.086 -0.147 25469 5346 1 9 . 1 1 105 105 TYR H H 105 8.126 8.126 7.588 0.538 25469 5347 1 10 . 1 1 3 3 SER HA H 3 4.553 4.553 4.561 -0.008 25469 5348 1 10 . 1 1 3 3 SER C C 3 173.408 173.408 174.931 -1.523 25469 5349 1 10 . 1 1 3 3 SER CA C 3 58.273 58.273 57.322 0.951 25469 5350 1 10 . 1 1 3 3 SER CB C 3 63.940 63.940 64.007 -0.067 25469 5351 1 10 . 1 1 4 4 ASN N N 4 120.235 120.235 119.473 0.762 25469 5352 1 10 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.894 0.323 25469 5353 1 10 . 1 1 4 4 ASN C C 4 176.243 176.243 174.464 1.779 25469 5354 1 10 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.092 -0.048 25469 5355 1 10 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.573 0.159 25469 5356 1 10 . 1 1 4 4 ASN H H 4 8.774 8.774 8.668 0.106 25469 5357 1 10 . 1 1 5 5 VAL N N 5 122.554 122.554 120.443 2.111 25469 5358 1 10 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.267 -0.498 25469 5359 1 10 . 1 1 5 5 VAL C C 5 177.223 177.223 175.414 1.809 25469 5360 1 10 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.497 3.314 25469 5361 1 10 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.419 -1.545 25469 5362 1 10 . 1 1 5 5 VAL H H 5 8.315 8.315 7.626 0.689 25469 5363 1 10 . 1 1 6 6 THR N N 6 118.503 118.503 115.305 3.198 25469 5364 1 10 . 1 1 6 6 THR HA H 6 4.678 4.678 4.398 0.280 25469 5365 1 10 . 1 1 6 6 THR C C 6 174.350 174.350 173.181 1.169 25469 5366 1 10 . 1 1 6 6 THR CA C 6 60.560 60.560 61.386 -0.826 25469 5367 1 10 . 1 1 6 6 THR CB C 6 69.833 69.833 69.803 0.030 25469 5368 1 10 . 1 1 6 6 THR H H 6 9.394 9.394 8.446 0.948 25469 5369 1 10 . 1 1 7 7 ASN N N 7 120.872 120.872 119.672 1.200 25469 5370 1 10 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.654 -0.098 25469 5371 1 10 . 1 1 7 7 ASN C C 7 176.866 176.866 173.834 3.032 25469 5372 1 10 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.421 -0.524 25469 5373 1 10 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.840 -0.758 25469 5374 1 10 . 1 1 7 7 ASN H H 7 7.976 7.976 8.139 -0.163 25469 5375 1 10 . 1 1 8 8 LYS N N 8 121.728 121.728 123.048 -1.320 25469 5376 1 10 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.634 -0.378 25469 5377 1 10 . 1 1 8 8 LYS C C 8 180.142 180.142 175.391 4.751 25469 5378 1 10 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.816 2.384 25469 5379 1 10 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.796 -3.504 25469 5380 1 10 . 1 1 8 8 LYS H H 8 8.572 8.572 8.230 0.342 25469 5381 1 10 . 1 1 9 9 THR N N 9 110.858 110.858 110.828 0.030 25469 5382 1 10 . 1 1 9 9 THR HA H 9 4.463 4.463 4.486 -0.023 25469 5383 1 10 . 1 1 9 9 THR C C 9 174.485 174.485 173.584 0.901 25469 5384 1 10 . 1 1 9 9 THR CA C 9 61.246 61.246 60.941 0.305 25469 5385 1 10 . 1 1 9 9 THR CB C 9 69.039 69.039 69.426 -0.387 25469 5386 1 10 . 1 1 9 9 THR H H 9 8.691 8.691 8.482 0.209 25469 5387 1 10 . 1 1 10 10 ASP N N 10 121.014 121.014 124.165 -3.151 25469 5388 1 10 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.779 0.046 25469 5389 1 10 . 1 1 10 10 ASP C C 10 173.946 173.946 176.687 -2.741 25469 5390 1 10 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.129 -0.565 25469 5391 1 10 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.460 -1.859 25469 5392 1 10 . 1 1 10 10 ASP H H 10 7.907 7.907 7.967 -0.060 25469 5393 1 10 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.386 -0.231 25469 5394 1 10 . 1 1 11 11 PRO C C 11 178.421 178.421 176.591 1.830 25469 5395 1 10 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.638 1.603 25469 5396 1 10 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.137 0.061 25469 5397 1 10 . 1 1 12 12 ARG N N 12 116.361 116.361 116.815 -0.454 25469 5398 1 10 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.561 -0.469 25469 5399 1 10 . 1 1 12 12 ARG C C 12 180.446 180.446 177.113 3.333 25469 5400 1 10 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.531 2.004 25469 5401 1 10 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.269 -2.019 25469 5402 1 10 . 1 1 12 12 ARG H H 12 7.940 7.940 8.222 -0.282 25469 5403 1 10 . 1 1 13 13 SER N N 13 119.379 119.379 116.866 2.513 25469 5404 1 10 . 1 1 13 13 SER HA H 13 4.052 4.052 4.351 -0.299 25469 5405 1 10 . 1 1 13 13 SER C C 13 178.762 178.762 175.804 2.958 25469 5406 1 10 . 1 1 13 13 SER CA C 13 61.529 61.529 61.892 -0.363 25469 5407 1 10 . 1 1 13 13 SER CB C 13 61.778 61.778 63.220 -1.442 25469 5408 1 10 . 1 1 13 13 SER H H 13 8.143 8.143 8.436 -0.293 25469 5409 1 10 . 1 1 14 14 MET N N 14 120.327 120.327 115.074 5.253 25469 5410 1 10 . 1 1 14 14 MET HA H 14 4.097 4.097 4.542 -0.445 25469 5411 1 10 . 1 1 14 14 MET C C 14 178.576 178.576 174.758 3.818 25469 5412 1 10 . 1 1 14 14 MET CA C 14 58.293 58.293 57.407 0.886 25469 5413 1 10 . 1 1 14 14 MET CB C 14 31.813 31.813 33.238 -1.425 25469 5414 1 10 . 1 1 14 14 MET H H 14 8.238 8.238 7.784 0.454 25469 5415 1 10 . 1 1 15 15 ASN N N 15 115.378 115.378 116.229 -0.851 25469 5416 1 10 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.905 -0.280 25469 5417 1 10 . 1 1 15 15 ASN C C 15 172.556 172.556 176.430 -3.874 25469 5418 1 10 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.367 -0.338 25469 5419 1 10 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.232 -1.582 25469 5420 1 10 . 1 1 15 15 ASN H H 15 7.968 7.968 7.519 0.449 25469 5421 1 10 . 1 1 16 16 SER N N 16 106.215 106.215 115.530 -9.315 25469 5422 1 10 . 1 1 16 16 SER HA H 16 4.495 4.495 4.593 -0.098 25469 5423 1 10 . 1 1 16 16 SER C C 16 172.121 172.121 173.416 -1.295 25469 5424 1 10 . 1 1 16 16 SER CA C 16 56.785 56.785 59.303 -2.518 25469 5425 1 10 . 1 1 16 16 SER CB C 16 63.428 63.428 63.253 0.175 25469 5426 1 10 . 1 1 16 16 SER H H 16 7.253 7.253 8.002 -0.749 25469 5427 1 10 . 1 1 17 17 ARG N N 17 123.348 123.348 121.174 2.174 25469 5428 1 10 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.142 0.450 25469 5429 1 10 . 1 1 17 17 ARG C C 17 174.491 174.491 174.908 -0.417 25469 5430 1 10 . 1 1 17 17 ARG CA C 17 54.379 54.379 54.886 -0.507 25469 5431 1 10 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.729 -0.820 25469 5432 1 10 . 1 1 17 17 ARG H H 17 7.405 7.405 7.682 -0.277 25469 5433 1 10 . 1 1 18 18 VAL N N 18 122.328 122.328 122.097 0.231 25469 5434 1 10 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.643 0.066 25469 5435 1 10 . 1 1 18 18 VAL C C 18 174.863 174.863 173.983 0.880 25469 5436 1 10 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.105 -0.448 25469 5437 1 10 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.064 -0.762 25469 5438 1 10 . 1 1 18 18 VAL H H 18 9.260 9.260 8.973 0.287 25469 5439 1 10 . 1 1 19 19 PHE N N 19 126.010 126.010 128.606 -2.596 25469 5440 1 10 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.362 0.104 25469 5441 1 10 . 1 1 19 19 PHE C C 19 171.967 171.967 173.582 -1.615 25469 5442 1 10 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.475 1.634 25469 5443 1 10 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.626 -0.603 25469 5444 1 10 . 1 1 19 19 PHE H H 19 9.159 9.159 9.260 -0.101 25469 5445 1 10 . 1 1 20 20 ILE N N 20 126.422 126.422 127.007 -0.585 25469 5446 1 10 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.094 -0.233 25469 5447 1 10 . 1 1 20 20 ILE C C 20 173.050 173.050 174.399 -1.349 25469 5448 1 10 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.908 -0.560 25469 5449 1 10 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.064 1.136 25469 5450 1 10 . 1 1 20 20 ILE H H 20 7.716 7.716 8.207 -0.491 25469 5451 1 10 . 1 1 21 21 GLY N N 21 113.182 113.182 111.323 1.859 25469 5452 1 10 . 1 1 21 21 GLY C C 21 173.769 173.769 173.914 -0.145 25469 5453 1 10 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.239 0.621 25469 5454 1 10 . 1 1 21 21 GLY H H 21 8.550 8.550 7.906 0.644 25469 5455 1 10 . 1 1 22 22 ASN N N 22 116.072 116.072 115.528 0.544 25469 5456 1 10 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.351 -0.004 25469 5457 1 10 . 1 1 22 22 ASN C C 22 174.205 174.205 173.916 0.289 25469 5458 1 10 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.733 -0.300 25469 5459 1 10 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.745 1.081 25469 5460 1 10 . 1 1 22 22 ASN H H 22 7.291 7.291 8.600 -1.309 25469 5461 1 10 . 1 1 23 23 LEU N N 23 118.873 118.873 118.788 0.085 25469 5462 1 10 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.674 -0.746 25469 5463 1 10 . 1 1 23 23 LEU C C 23 176.551 176.551 176.262 0.289 25469 5464 1 10 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.395 -0.730 25469 5465 1 10 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.275 0.074 25469 5466 1 10 . 1 1 23 23 LEU H H 23 7.279 7.279 7.921 -0.642 25469 5467 1 10 . 1 1 24 24 ASN N N 24 124.260 124.260 123.502 0.758 25469 5468 1 10 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.465 0.294 25469 5469 1 10 . 1 1 24 24 ASN C C 24 175.831 175.831 175.699 0.132 25469 5470 1 10 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.568 -3.928 25469 5471 1 10 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.476 -2.921 25469 5472 1 10 . 1 1 24 24 ASN H H 24 9.075 9.075 8.808 0.267 25469 5473 1 10 . 1 1 25 25 THR N N 25 118.101 118.101 107.014 11.087 25469 5474 1 10 . 1 1 25 25 THR HA H 25 4.377 4.377 4.119 0.258 25469 5475 1 10 . 1 1 25 25 THR C C 25 175.286 175.286 174.068 1.218 25469 5476 1 10 . 1 1 25 25 THR CA C 25 63.324 63.324 63.685 -0.361 25469 5477 1 10 . 1 1 25 25 THR CB C 25 67.439 67.439 67.526 -0.087 25469 5478 1 10 . 1 1 25 25 THR H H 25 8.226 8.226 8.090 0.136 25469 5479 1 10 . 1 1 26 26 LEU N N 26 121.285 121.285 118.218 3.067 25469 5480 1 10 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.429 -0.118 25469 5481 1 10 . 1 1 26 26 LEU C C 26 178.244 178.244 176.793 1.451 25469 5482 1 10 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.172 1.141 25469 5483 1 10 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.417 -1.089 25469 5484 1 10 . 1 1 26 26 LEU H H 26 7.670 7.670 7.687 -0.017 25469 5485 1 10 . 1 1 27 27 VAL N N 27 114.562 114.562 115.916 -1.354 25469 5486 1 10 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.205 -0.158 25469 5487 1 10 . 1 1 27 27 VAL C C 27 175.200 175.200 175.667 -0.467 25469 5488 1 10 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.987 0.044 25469 5489 1 10 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.980 2.202 25469 5490 1 10 . 1 1 27 27 VAL H H 27 6.790 6.790 7.560 -0.770 25469 5491 1 10 . 1 1 28 28 VAL N N 28 121.996 121.996 120.179 1.817 25469 5492 1 10 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.184 -0.325 25469 5493 1 10 . 1 1 28 28 VAL C C 28 174.352 174.352 174.822 -0.470 25469 5494 1 10 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.949 1.243 25469 5495 1 10 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.906 -0.965 25469 5496 1 10 . 1 1 28 28 VAL H H 28 8.276 8.276 7.707 0.569 25469 5497 1 10 . 1 1 29 29 LYS N N 29 124.228 124.228 124.030 0.198 25469 5498 1 10 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.657 -0.055 25469 5499 1 10 . 1 1 29 29 LYS C C 29 177.959 177.959 177.187 0.772 25469 5500 1 10 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.633 -0.987 25469 5501 1 10 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.705 -1.310 25469 5502 1 10 . 1 1 29 29 LYS H H 29 8.925 8.925 7.959 0.966 25469 5503 1 10 . 1 1 30 30 LYS N N 30 123.350 123.350 120.753 2.597 25469 5504 1 10 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.014 -0.360 25469 5505 1 10 . 1 1 30 30 LYS C C 30 177.639 177.639 176.604 1.035 25469 5506 1 10 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.792 2.607 25469 5507 1 10 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.751 0.898 25469 5508 1 10 . 1 1 30 30 LYS H H 30 8.993 8.993 8.757 0.236 25469 5509 1 10 . 1 1 31 31 SER N N 31 111.465 111.465 113.236 -1.771 25469 5510 1 10 . 1 1 31 31 SER HA H 31 4.167 4.167 4.660 -0.493 25469 5511 1 10 . 1 1 31 31 SER C C 31 177.617 177.617 174.345 3.272 25469 5512 1 10 . 1 1 31 31 SER CA C 31 61.389 61.389 58.580 2.809 25469 5513 1 10 . 1 1 31 31 SER CB C 31 61.533 61.533 63.473 -1.940 25469 5514 1 10 . 1 1 31 31 SER H H 31 8.669 8.669 8.104 0.565 25469 5515 1 10 . 1 1 32 32 ASP N N 32 122.187 122.187 121.576 0.611 25469 5516 1 10 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.783 -0.263 25469 5517 1 10 . 1 1 32 32 ASP C C 32 178.194 178.194 178.406 -0.212 25469 5518 1 10 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.838 1.350 25469 5519 1 10 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.728 -0.881 25469 5520 1 10 . 1 1 32 32 ASP H H 32 7.141 7.141 8.157 -1.016 25469 5521 1 10 . 1 1 33 33 VAL N N 33 120.138 120.138 119.924 0.214 25469 5522 1 10 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.945 -0.484 25469 5523 1 10 . 1 1 33 33 VAL C C 33 178.624 178.624 176.822 1.802 25469 5524 1 10 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.620 0.754 25469 5525 1 10 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.175 0.110 25469 5526 1 10 . 1 1 33 33 VAL H H 33 7.956 7.956 8.105 -0.149 25469 5527 1 10 . 1 1 34 34 GLU N N 34 118.717 118.717 116.131 2.586 25469 5528 1 10 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.232 -0.478 25469 5529 1 10 . 1 1 34 34 GLU C C 34 178.701 178.701 176.321 2.380 25469 5530 1 10 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.571 2.934 25469 5531 1 10 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.281 1.063 25469 5532 1 10 . 1 1 34 34 GLU H H 34 8.637 8.637 8.832 -0.195 25469 5533 1 10 . 1 1 35 35 ALA N N 35 121.541 121.541 120.506 1.035 25469 5534 1 10 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.548 -0.399 25469 5535 1 10 . 1 1 35 35 ALA C C 35 180.483 180.483 177.490 2.993 25469 5536 1 10 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.854 2.662 25469 5537 1 10 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.494 -2.446 25469 5538 1 10 . 1 1 35 35 ALA H H 35 7.823 7.823 8.099 -0.276 25469 5539 1 10 . 1 1 36 36 ILE N N 36 117.449 117.449 117.308 0.141 25469 5540 1 10 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.127 -0.464 25469 5541 1 10 . 1 1 36 36 ILE C C 36 178.665 178.665 176.356 2.309 25469 5542 1 10 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.793 2.018 25469 5543 1 10 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.528 0.262 25469 5544 1 10 . 1 1 36 36 ILE H H 36 7.773 7.773 7.597 0.176 25469 5545 1 10 . 1 1 37 37 PHE N N 37 113.524 113.524 117.502 -3.978 25469 5546 1 10 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.956 -0.598 25469 5547 1 10 . 1 1 37 37 PHE C C 37 179.593 179.593 177.633 1.960 25469 5548 1 10 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.510 3.170 25469 5549 1 10 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.411 -3.201 25469 5550 1 10 . 1 1 37 37 PHE H H 37 8.566 8.566 8.302 0.264 25469 5551 1 10 . 1 1 38 38 SER N N 38 122.025 122.025 115.449 6.576 25469 5552 1 10 . 1 1 38 38 SER HA H 38 4.821 4.821 4.715 0.106 25469 5553 1 10 . 1 1 38 38 SER C C 38 175.439 175.439 175.472 -0.033 25469 5554 1 10 . 1 1 38 38 SER CA C 38 61.519 61.519 59.620 1.899 25469 5555 1 10 . 1 1 38 38 SER CB C 38 62.765 62.765 62.795 -0.030 25469 5556 1 10 . 1 1 38 38 SER H H 38 8.834 8.834 8.595 0.239 25469 5557 1 10 . 1 1 39 39 LYS N N 39 119.387 119.387 117.523 1.864 25469 5558 1 10 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.138 -0.177 25469 5559 1 10 . 1 1 39 39 LYS C C 39 177.064 177.064 176.495 0.569 25469 5560 1 10 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.474 0.805 25469 5561 1 10 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.360 0.226 25469 5562 1 10 . 1 1 39 39 LYS H H 39 7.054 7.054 7.977 -0.923 25469 5563 1 10 . 1 1 40 40 TYR N N 40 114.433 114.433 118.878 -4.445 25469 5564 1 10 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.591 -0.314 25469 5565 1 10 . 1 1 40 40 TYR C C 40 174.842 174.842 175.002 -0.160 25469 5566 1 10 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.971 0.879 25469 5567 1 10 . 1 1 40 40 TYR CB C 40 38.427 38.427 39.959 -1.532 25469 5568 1 10 . 1 1 40 40 TYR H H 40 6.956 6.956 7.426 -0.470 25469 5569 1 10 . 1 1 41 41 GLY N N 41 106.514 106.514 103.889 2.625 25469 5570 1 10 . 1 1 41 41 GLY C C 41 170.573 170.573 171.835 -1.262 25469 5571 1 10 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.867 -0.311 25469 5572 1 10 . 1 1 41 41 GLY H H 41 7.428 7.428 7.394 0.034 25469 5573 1 10 . 1 1 42 42 LYS N N 42 117.788 117.788 122.033 -4.245 25469 5574 1 10 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.341 -0.144 25469 5575 1 10 . 1 1 42 42 LYS C C 42 176.536 176.536 176.074 0.462 25469 5576 1 10 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.582 0.554 25469 5577 1 10 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.748 0.218 25469 5578 1 10 . 1 1 42 42 LYS H H 42 8.034 8.034 8.487 -0.453 25469 5579 1 10 . 1 1 43 43 ILE N N 43 127.104 127.104 127.201 -0.097 25469 5580 1 10 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.441 -0.416 25469 5581 1 10 . 1 1 43 43 ILE C C 43 176.993 176.993 176.666 0.327 25469 5582 1 10 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.658 -0.278 25469 5583 1 10 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.521 0.392 25469 5584 1 10 . 1 1 43 43 ILE H H 43 8.711 8.711 8.701 0.010 25469 5585 1 10 . 1 1 44 44 VAL N N 44 121.993 121.993 119.657 2.336 25469 5586 1 10 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.517 -0.153 25469 5587 1 10 . 1 1 44 44 VAL C C 44 176.853 176.853 175.177 1.676 25469 5588 1 10 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.258 0.600 25469 5589 1 10 . 1 1 44 44 VAL CB C 44 32.552 32.552 32.745 -0.193 25469 5590 1 10 . 1 1 44 44 VAL H H 44 8.711 8.711 8.703 0.008 25469 5591 1 10 . 1 1 45 45 GLY N N 45 109.507 109.507 108.131 1.376 25469 5592 1 10 . 1 1 45 45 GLY C C 45 171.266 171.266 171.892 -0.626 25469 5593 1 10 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.745 -0.736 25469 5594 1 10 . 1 1 45 45 GLY H H 45 7.530 7.530 7.449 0.081 25469 5595 1 10 . 1 1 46 46 CYS N N 46 124.546 124.546 117.399 7.147 25469 5596 1 10 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.490 -0.459 25469 5597 1 10 . 1 1 46 46 CYS C C 46 172.073 172.073 172.359 -0.286 25469 5598 1 10 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.181 1.782 25469 5599 1 10 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.549 -3.207 25469 5600 1 10 . 1 1 46 46 CYS H H 46 8.982 8.982 9.274 -0.292 25469 5601 1 10 . 1 1 47 47 SER N N 47 122.933 122.933 115.450 7.483 25469 5602 1 10 . 1 1 47 47 SER HA H 47 4.908 4.908 4.776 0.132 25469 5603 1 10 . 1 1 47 47 SER C C 47 171.849 171.849 172.109 -0.260 25469 5604 1 10 . 1 1 47 47 SER CA C 47 56.585 56.585 57.442 -0.857 25469 5605 1 10 . 1 1 47 47 SER CB C 47 65.733 65.733 65.543 0.190 25469 5606 1 10 . 1 1 47 47 SER H H 47 8.569 8.569 8.942 -0.373 25469 5607 1 10 . 1 1 48 48 VAL N N 48 121.588 121.588 122.310 -0.722 25469 5608 1 10 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.290 -0.152 25469 5609 1 10 . 1 1 48 48 VAL C C 48 173.991 173.991 174.141 -0.150 25469 5610 1 10 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.349 0.961 25469 5611 1 10 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.781 -0.857 25469 5612 1 10 . 1 1 48 48 VAL H H 48 8.565 8.565 8.213 0.352 25469 5613 1 10 . 1 1 49 49 HIS N N 49 130.308 130.308 123.558 6.750 25469 5614 1 10 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.778 -0.346 25469 5615 1 10 . 1 1 49 49 HIS C C 49 173.950 173.950 173.882 0.068 25469 5616 1 10 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.273 0.378 25469 5617 1 10 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.709 -1.156 25469 5618 1 10 . 1 1 49 49 HIS H H 49 8.441 8.441 8.821 -0.380 25469 5619 1 10 . 1 1 50 50 LYS N N 50 121.937 121.937 120.007 1.930 25469 5620 1 10 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.984 0.476 25469 5621 1 10 . 1 1 50 50 LYS C C 50 175.528 175.528 177.060 -1.532 25469 5622 1 10 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.766 -0.477 25469 5623 1 10 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.300 -1.822 25469 5624 1 10 . 1 1 50 50 LYS H H 50 7.926 7.926 8.191 -0.265 25469 5625 1 10 . 1 1 51 51 GLY N N 51 114.868 114.868 111.576 3.292 25469 5626 1 10 . 1 1 51 51 GLY C C 51 174.253 174.253 173.195 1.058 25469 5627 1 10 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.114 -0.594 25469 5628 1 10 . 1 1 51 51 GLY H H 51 8.644 8.644 8.541 0.103 25469 5629 1 10 . 1 1 52 52 PHE N N 52 112.790 112.790 115.168 -2.378 25469 5630 1 10 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.624 -0.376 25469 5631 1 10 . 1 1 52 52 PHE C C 52 171.606 171.606 172.928 -1.322 25469 5632 1 10 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.236 0.994 25469 5633 1 10 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.446 -0.401 25469 5634 1 10 . 1 1 52 52 PHE H H 52 7.005 7.005 7.190 -0.185 25469 5635 1 10 . 1 1 53 53 ALA N N 53 119.858 119.858 119.195 0.663 25469 5636 1 10 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.894 -0.058 25469 5637 1 10 . 1 1 53 53 ALA C C 53 173.030 173.030 174.588 -1.558 25469 5638 1 10 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.033 -0.687 25469 5639 1 10 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.433 2.300 25469 5640 1 10 . 1 1 53 53 ALA H H 53 8.724 8.724 8.392 0.332 25469 5641 1 10 . 1 1 54 54 PHE N N 54 112.158 112.158 116.032 -3.874 25469 5642 1 10 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.671 -0.091 25469 5643 1 10 . 1 1 54 54 PHE C C 54 175.765 175.765 174.158 1.607 25469 5644 1 10 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.155 -0.551 25469 5645 1 10 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.522 -0.228 25469 5646 1 10 . 1 1 54 54 PHE H H 54 8.764 8.764 9.058 -0.294 25469 5647 1 10 . 1 1 55 55 VAL N N 55 118.628 118.628 120.132 -1.504 25469 5648 1 10 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.593 -0.382 25469 5649 1 10 . 1 1 55 55 VAL C C 55 172.807 172.807 173.770 -0.963 25469 5650 1 10 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.880 0.997 25469 5651 1 10 . 1 1 55 55 VAL CB C 55 34.953 34.953 36.084 -1.131 25469 5652 1 10 . 1 1 55 55 VAL H H 55 8.310 8.310 8.890 -0.580 25469 5653 1 10 . 1 1 56 56 GLN N N 56 128.402 128.402 122.597 5.805 25469 5654 1 10 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.951 -0.386 25469 5655 1 10 . 1 1 56 56 GLN C C 56 173.894 173.894 174.162 -0.268 25469 5656 1 10 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.913 0.300 25469 5657 1 10 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.394 -0.288 25469 5658 1 10 . 1 1 56 56 GLN H H 56 9.253 9.253 8.699 0.554 25469 5659 1 10 . 1 1 57 57 TYR N N 57 127.617 127.617 123.691 3.926 25469 5660 1 10 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.388 -0.107 25469 5661 1 10 . 1 1 57 57 TYR C C 57 175.610 175.610 176.834 -1.224 25469 5662 1 10 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.514 2.178 25469 5663 1 10 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.008 -0.938 25469 5664 1 10 . 1 1 57 57 TYR H H 57 8.919 8.919 8.979 -0.060 25469 5665 1 10 . 1 1 58 58 VAL N N 58 116.705 116.705 119.500 -2.795 25469 5666 1 10 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.811 0.302 25469 5667 1 10 . 1 1 58 58 VAL C C 58 175.860 175.860 175.170 0.690 25469 5668 1 10 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.577 -0.548 25469 5669 1 10 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.182 0.867 25469 5670 1 10 . 1 1 58 58 VAL H H 58 9.458 9.458 8.772 0.686 25469 5671 1 10 . 1 1 59 59 ASN N N 59 112.563 112.563 111.427 1.136 25469 5672 1 10 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.891 0.259 25469 5673 1 10 . 1 1 59 59 ASN C C 59 174.483 174.483 175.441 -0.958 25469 5674 1 10 . 1 1 59 59 ASN CA C 59 51.952 51.952 51.888 0.064 25469 5675 1 10 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.544 1.633 25469 5676 1 10 . 1 1 59 59 ASN H H 59 7.230 7.230 7.425 -0.195 25469 5677 1 10 . 1 1 60 60 GLU N N 60 124.320 124.320 120.672 3.648 25469 5678 1 10 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.116 0.199 25469 5679 1 10 . 1 1 60 60 GLU C C 60 178.202 178.202 177.734 0.468 25469 5680 1 10 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.418 -0.637 25469 5681 1 10 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.859 0.519 25469 5682 1 10 . 1 1 60 60 GLU H H 60 8.807 8.807 8.913 -0.106 25469 5683 1 10 . 1 1 61 61 ARG N N 61 118.347 118.347 119.000 -0.653 25469 5684 1 10 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.029 -0.039 25469 5685 1 10 . 1 1 61 61 ARG C C 61 179.341 179.341 178.524 0.817 25469 5686 1 10 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.563 0.904 25469 5687 1 10 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.742 -0.341 25469 5688 1 10 . 1 1 61 61 ARG H H 61 8.620 8.620 8.313 0.307 25469 5689 1 10 . 1 1 62 62 ASN N N 62 118.085 118.085 117.156 0.929 25469 5690 1 10 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.309 -0.032 25469 5691 1 10 . 1 1 62 62 ASN C C 62 174.852 174.852 176.480 -1.628 25469 5692 1 10 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.184 0.281 25469 5693 1 10 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.167 0.840 25469 5694 1 10 . 1 1 62 62 ASN H H 62 7.781 7.781 7.986 -0.205 25469 5695 1 10 . 1 1 63 63 ALA N N 63 119.580 119.580 122.935 -3.355 25469 5696 1 10 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.404 -0.656 25469 5697 1 10 . 1 1 63 63 ALA C C 63 178.862 178.862 179.314 -0.452 25469 5698 1 10 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.729 0.232 25469 5699 1 10 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.746 -0.205 25469 5700 1 10 . 1 1 63 63 ALA H H 63 6.775 6.775 7.262 -0.487 25469 5701 1 10 . 1 1 64 64 ARG N N 64 114.991 114.991 118.281 -3.290 25469 5702 1 10 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.158 -0.318 25469 5703 1 10 . 1 1 64 64 ARG C C 64 179.776 179.776 178.606 1.170 25469 5704 1 10 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.873 2.309 25469 5705 1 10 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.668 -0.421 25469 5706 1 10 . 1 1 64 64 ARG H H 64 8.737 8.737 8.456 0.281 25469 5707 1 10 . 1 1 65 65 ALA N N 65 123.698 123.698 121.437 2.261 25469 5708 1 10 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.292 -0.165 25469 5709 1 10 . 1 1 65 65 ALA C C 65 179.561 179.561 178.504 1.057 25469 5710 1 10 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.453 0.495 25469 5711 1 10 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.334 -0.443 25469 5712 1 10 . 1 1 65 65 ALA H H 65 7.820 7.820 7.557 0.263 25469 5713 1 10 . 1 1 66 66 ALA N N 66 123.811 123.811 120.298 3.513 25469 5714 1 10 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.736 -1.669 25469 5715 1 10 . 1 1 66 66 ALA C C 66 179.260 179.260 179.436 -0.176 25469 5716 1 10 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.503 -0.194 25469 5717 1 10 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.032 0.276 25469 5718 1 10 . 1 1 66 66 ALA H H 66 7.538 7.538 7.377 0.161 25469 5719 1 10 . 1 1 67 67 VAL N N 67 116.571 116.571 118.463 -1.892 25469 5720 1 10 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.679 -0.324 25469 5721 1 10 . 1 1 67 67 VAL C C 67 177.744 177.744 177.569 0.175 25469 5722 1 10 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.854 -0.324 25469 5723 1 10 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.670 0.297 25469 5724 1 10 . 1 1 67 67 VAL H H 67 7.612 7.612 8.268 -0.656 25469 5725 1 10 . 1 1 68 68 ALA N N 68 118.239 118.239 120.144 -1.905 25469 5726 1 10 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.276 -0.155 25469 5727 1 10 . 1 1 68 68 ALA C C 68 180.749 180.749 178.195 2.554 25469 5728 1 10 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.541 0.811 25469 5729 1 10 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.638 -0.541 25469 5730 1 10 . 1 1 68 68 ALA H H 68 7.549 7.549 7.557 -0.008 25469 5731 1 10 . 1 1 69 69 GLY N N 69 103.748 103.748 105.107 -1.359 25469 5732 1 10 . 1 1 69 69 GLY C C 69 175.627 175.627 174.908 0.719 25469 5733 1 10 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.006 1.080 25469 5734 1 10 . 1 1 69 69 GLY H H 69 8.135 8.135 7.303 0.832 25469 5735 1 10 . 1 1 70 70 GLU N N 70 114.571 114.571 116.255 -1.684 25469 5736 1 10 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.366 0.266 25469 5737 1 10 . 1 1 70 70 GLU C C 70 176.392 176.392 175.033 1.359 25469 5738 1 10 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.892 -0.694 25469 5739 1 10 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.895 -0.523 25469 5740 1 10 . 1 1 70 70 GLU H H 70 7.653 7.653 7.569 0.084 25469 5741 1 10 . 1 1 71 71 ASP N N 71 118.127 118.127 121.227 -3.100 25469 5742 1 10 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.367 -0.082 25469 5743 1 10 . 1 1 71 71 ASP C C 71 178.699 178.699 177.042 1.657 25469 5744 1 10 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.949 1.593 25469 5745 1 10 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.176 1.194 25469 5746 1 10 . 1 1 71 71 ASP H H 71 8.026 8.026 7.563 0.463 25469 5747 1 10 . 1 1 72 72 GLY N N 72 114.353 114.353 113.731 0.622 25469 5748 1 10 . 1 1 72 72 GLY C C 72 173.792 173.792 174.364 -0.572 25469 5749 1 10 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.110 0.649 25469 5750 1 10 . 1 1 72 72 GLY H H 72 8.292 8.292 8.080 0.212 25469 5751 1 10 . 1 1 73 73 ARG N N 73 121.996 121.996 118.856 3.140 25469 5752 1 10 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.436 -0.250 25469 5753 1 10 . 1 1 73 73 ARG C C 73 175.188 175.188 174.763 0.425 25469 5754 1 10 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.896 1.580 25469 5755 1 10 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.212 0.107 25469 5756 1 10 . 1 1 73 73 ARG H H 73 7.981 7.981 7.945 0.036 25469 5757 1 10 . 1 1 74 74 MET N N 74 125.120 125.120 120.654 4.466 25469 5758 1 10 . 1 1 74 74 MET HA H 74 4.795 4.795 4.670 0.125 25469 5759 1 10 . 1 1 74 74 MET C C 74 175.727 175.727 174.850 0.877 25469 5760 1 10 . 1 1 74 74 MET CA C 74 55.054 55.054 54.642 0.412 25469 5761 1 10 . 1 1 74 74 MET CB C 74 33.076 33.076 34.417 -1.341 25469 5762 1 10 . 1 1 74 74 MET H H 74 8.710 8.710 8.309 0.401 25469 5763 1 10 . 1 1 75 75 ILE N N 75 127.530 127.530 125.688 1.842 25469 5764 1 10 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.430 -0.043 25469 5765 1 10 . 1 1 75 75 ILE C C 75 175.277 175.277 175.620 -0.343 25469 5766 1 10 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.638 -0.907 25469 5767 1 10 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.408 -1.002 25469 5768 1 10 . 1 1 75 75 ILE H H 75 8.583 8.583 8.764 -0.181 25469 5769 1 10 . 1 1 76 76 ALA N N 76 132.166 132.166 130.095 2.071 25469 5770 1 10 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.994 0.038 25469 5771 1 10 . 1 1 76 76 ALA C C 76 177.206 177.206 177.717 -0.511 25469 5772 1 10 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.264 -0.392 25469 5773 1 10 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.374 -0.126 25469 5774 1 10 . 1 1 76 76 ALA H H 76 9.540 9.540 9.044 0.496 25469 5775 1 10 . 1 1 77 77 GLY N N 77 101.685 101.685 102.805 -1.120 25469 5776 1 10 . 1 1 77 77 GLY C C 77 174.206 174.206 173.885 0.321 25469 5777 1 10 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.873 0.894 25469 5778 1 10 . 1 1 77 77 GLY H H 77 8.446 8.446 8.339 0.107 25469 5779 1 10 . 1 1 78 78 GLN N N 78 118.947 118.947 119.972 -1.025 25469 5780 1 10 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.655 0.076 25469 5781 1 10 . 1 1 78 78 GLN C C 78 174.047 174.047 175.040 -0.993 25469 5782 1 10 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.164 0.097 25469 5783 1 10 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.652 0.452 25469 5784 1 10 . 1 1 78 78 GLN H H 78 7.708 7.708 8.122 -0.414 25469 5785 1 10 . 1 1 79 79 VAL N N 79 123.383 123.383 127.042 -3.659 25469 5786 1 10 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.458 -0.444 25469 5787 1 10 . 1 1 79 79 VAL C C 79 176.348 176.348 176.239 0.109 25469 5788 1 10 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.477 -0.809 25469 5789 1 10 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.305 -0.176 25469 5790 1 10 . 1 1 79 79 VAL H H 79 8.570 8.570 8.555 0.015 25469 5791 1 10 . 1 1 80 80 LEU N N 80 128.544 128.544 126.819 1.725 25469 5792 1 10 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.738 -0.430 25469 5793 1 10 . 1 1 80 80 LEU C C 80 176.522 176.522 176.074 0.448 25469 5794 1 10 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.428 2.473 25469 5795 1 10 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.892 -0.994 25469 5796 1 10 . 1 1 80 80 LEU H H 80 9.002 9.002 8.476 0.526 25469 5797 1 10 . 1 1 81 81 ASP N N 81 124.135 124.135 121.930 2.205 25469 5798 1 10 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.270 -0.049 25469 5799 1 10 . 1 1 81 81 ASP C C 81 174.660 174.660 174.689 -0.029 25469 5800 1 10 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.059 -0.071 25469 5801 1 10 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.649 0.118 25469 5802 1 10 . 1 1 81 81 ASP H H 81 7.718 7.718 8.359 -0.641 25469 5803 1 10 . 1 1 82 82 ILE N N 82 123.344 123.344 125.474 -2.130 25469 5804 1 10 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.921 0.476 25469 5805 1 10 . 1 1 82 82 ILE C C 82 174.521 174.521 174.042 0.479 25469 5806 1 10 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.938 -0.805 25469 5807 1 10 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.058 -0.091 25469 5808 1 10 . 1 1 82 82 ILE H H 82 9.071 9.071 8.975 0.096 25469 5809 1 10 . 1 1 83 83 ASN N N 83 116.447 116.447 120.439 -3.992 25469 5810 1 10 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.003 -0.161 25469 5811 1 10 . 1 1 83 83 ASN C C 83 174.566 174.566 173.523 1.043 25469 5812 1 10 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.889 1.239 25469 5813 1 10 . 1 1 83 83 ASN CB C 83 43.074 43.074 41.231 1.843 25469 5814 1 10 . 1 1 83 83 ASN H H 83 8.494 8.494 8.693 -0.199 25469 5815 1 10 . 1 1 84 84 LEU N N 84 123.786 123.786 121.839 1.947 25469 5816 1 10 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.325 0.395 25469 5817 1 10 . 1 1 84 84 LEU C C 84 180.969 180.969 178.241 2.728 25469 5818 1 10 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.765 0.592 25469 5819 1 10 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.121 -0.802 25469 5820 1 10 . 1 1 84 84 LEU H H 84 9.414 9.414 8.911 0.503 25469 5821 1 10 . 1 1 85 85 ALA N N 85 127.577 127.577 129.619 -2.042 25469 5822 1 10 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.269 -0.221 25469 5823 1 10 . 1 1 85 85 ALA C C 85 177.932 177.932 176.603 1.329 25469 5824 1 10 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.384 1.965 25469 5825 1 10 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.000 -1.013 25469 5826 1 10 . 1 1 85 85 ALA H H 85 9.279 9.279 8.250 1.029 25469 5827 1 10 . 1 1 86 86 ALA N N 86 116.071 116.071 117.477 -1.406 25469 5828 1 10 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.405 0.006 25469 5829 1 10 . 1 1 86 86 ALA C C 86 176.153 176.153 176.550 -0.397 25469 5830 1 10 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.018 -0.289 25469 5831 1 10 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.818 -0.508 25469 5832 1 10 . 1 1 86 86 ALA H H 86 8.687 8.687 8.020 0.667 25469 5833 1 10 . 1 1 87 87 GLU N N 87 118.959 118.959 119.819 -0.860 25469 5834 1 10 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.643 0.093 25469 5835 1 10 . 1 1 87 87 GLU C C 87 171.677 171.677 173.806 -2.129 25469 5836 1 10 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.363 -0.191 25469 5837 1 10 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.224 -0.251 25469 5838 1 10 . 1 1 87 87 GLU H H 87 7.901 7.901 8.025 -0.124 25469 5839 1 10 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.491 -0.148 25469 5840 1 10 . 1 1 88 88 PRO C C 88 177.303 177.303 176.944 0.359 25469 5841 1 10 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.048 -0.130 25469 5842 1 10 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.422 -0.524 25469 5843 1 10 . 1 1 89 89 LYS N N 89 121.298 121.298 124.290 -2.992 25469 5844 1 10 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.231 -0.004 25469 5845 1 10 . 1 1 89 89 LYS C C 89 177.690 177.690 176.732 0.958 25469 5846 1 10 . 1 1 89 89 LYS CA C 89 56.802 56.802 57.556 -0.754 25469 5847 1 10 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.269 1.235 25469 5848 1 10 . 1 1 89 89 LYS H H 89 7.973 7.973 8.597 -0.624 25469 5849 1 10 . 1 1 90 90 VAL N N 90 120.788 120.788 115.063 5.725 25469 5850 1 10 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.160 -0.231 25469 5851 1 10 . 1 1 90 90 VAL C C 90 176.170 176.170 175.804 0.366 25469 5852 1 10 . 1 1 90 90 VAL CA C 90 63.217 63.217 63.426 -0.209 25469 5853 1 10 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.192 -0.846 25469 5854 1 10 . 1 1 90 90 VAL H H 90 8.216 8.216 8.232 -0.016 25469 5855 1 10 . 1 1 91 91 ASN N N 91 119.438 119.438 118.049 1.389 25469 5856 1 10 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.740 -0.081 25469 5857 1 10 . 1 1 91 91 ASN C C 91 175.173 175.173 175.178 -0.005 25469 5858 1 10 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.494 -0.457 25469 5859 1 10 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.973 -0.806 25469 5860 1 10 . 1 1 91 91 ASN H H 91 8.451 8.451 8.295 0.156 25469 5861 1 10 . 1 1 92 92 ARG N N 92 120.958 120.958 122.148 -1.190 25469 5862 1 10 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.277 -0.040 25469 5863 1 10 . 1 1 92 92 ARG C C 92 177.002 177.002 176.428 0.574 25469 5864 1 10 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.666 -0.022 25469 5865 1 10 . 1 1 92 92 ARG CB C 92 30.526 30.526 28.492 2.034 25469 5866 1 10 . 1 1 92 92 ARG H H 92 7.978 7.978 7.881 0.097 25469 5867 1 10 . 1 1 93 93 GLY N N 93 110.275 110.275 112.601 -2.326 25469 5868 1 10 . 1 1 93 93 GLY C C 93 174.246 174.246 173.850 0.396 25469 5869 1 10 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.287 0.097 25469 5870 1 10 . 1 1 93 93 GLY H H 93 8.604 8.604 8.123 0.481 25469 5871 1 10 . 1 1 94 94 LYS N N 94 120.750 120.750 115.562 5.188 25469 5872 1 10 . 1 1 94 94 LYS HA H 94 4.297 4.297 3.874 0.423 25469 5873 1 10 . 1 1 94 94 LYS C C 94 176.525 176.525 175.758 0.767 25469 5874 1 10 . 1 1 94 94 LYS CA C 94 56.044 56.044 57.828 -1.784 25469 5875 1 10 . 1 1 94 94 LYS CB C 94 33.025 33.025 31.824 1.201 25469 5876 1 10 . 1 1 94 94 LYS H H 94 8.113 8.113 8.294 -0.181 25469 5877 1 10 . 1 1 95 95 ALA N N 95 124.912 124.912 118.884 6.028 25469 5878 1 10 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.516 -0.217 25469 5879 1 10 . 1 1 95 95 ALA C C 95 178.325 178.325 175.750 2.575 25469 5880 1 10 . 1 1 95 95 ALA CA C 95 52.752 52.752 52.002 0.750 25469 5881 1 10 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.114 -1.974 25469 5882 1 10 . 1 1 95 95 ALA H H 95 8.367 8.367 7.620 0.747 25469 5883 1 10 . 1 1 96 96 GLY N N 96 108.328 108.328 106.263 2.065 25469 5884 1 10 . 1 1 96 96 GLY C C 96 174.096 174.096 173.748 0.348 25469 5885 1 10 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.378 -0.137 25469 5886 1 10 . 1 1 96 96 GLY H H 96 8.390 8.390 8.251 0.139 25469 5887 1 10 . 1 1 97 97 VAL N N 97 119.774 119.774 120.540 -0.766 25469 5888 1 10 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.364 -0.287 25469 5889 1 10 . 1 1 97 97 VAL C C 97 176.156 176.156 175.073 1.083 25469 5890 1 10 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.063 1.236 25469 5891 1 10 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.956 -0.102 25469 5892 1 10 . 1 1 97 97 VAL H H 97 7.925 7.925 7.646 0.279 25469 5893 1 10 . 1 1 98 98 LYS N N 98 126.024 126.024 125.760 0.264 25469 5894 1 10 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.523 -0.197 25469 5895 1 10 . 1 1 98 98 LYS C C 98 176.427 176.427 175.528 0.899 25469 5896 1 10 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.050 0.051 25469 5897 1 10 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.828 0.233 25469 5898 1 10 . 1 1 98 98 LYS H H 98 8.473 8.473 8.525 -0.052 25469 5899 1 10 . 1 1 99 99 ARG N N 99 123.644 123.644 118.325 5.319 25469 5900 1 10 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.605 -0.226 25469 5901 1 10 . 1 1 99 99 ARG C C 99 176.231 176.231 175.953 0.278 25469 5902 1 10 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.150 0.782 25469 5903 1 10 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.782 -0.515 25469 5904 1 10 . 1 1 99 99 ARG H H 99 8.464 8.464 7.406 1.058 25469 5905 1 10 . 1 1 100 100 SER N N 100 117.863 117.863 117.167 0.696 25469 5906 1 10 . 1 1 100 100 SER HA H 100 4.449 4.449 4.422 0.027 25469 5907 1 10 . 1 1 100 100 SER C C 100 174.556 174.556 175.133 -0.577 25469 5908 1 10 . 1 1 100 100 SER CA C 100 57.985 57.985 59.408 -1.423 25469 5909 1 10 . 1 1 100 100 SER CB C 100 64.167 64.167 63.529 0.638 25469 5910 1 10 . 1 1 100 100 SER H H 100 8.516 8.516 8.455 0.061 25469 5911 1 10 . 1 1 101 101 ALA N N 101 126.048 126.048 120.451 5.597 25469 5912 1 10 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.129 0.128 25469 5913 1 10 . 1 1 101 101 ALA C C 101 178.047 178.047 176.518 1.529 25469 5914 1 10 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.483 -0.135 25469 5915 1 10 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.063 0.882 25469 5916 1 10 . 1 1 101 101 ALA H H 101 8.538 8.538 8.584 -0.046 25469 5917 1 10 . 1 1 102 102 ALA N N 102 121.566 121.566 117.896 3.670 25469 5918 1 10 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.806 -0.581 25469 5919 1 10 . 1 1 102 102 ALA C C 102 178.254 178.254 177.893 0.361 25469 5920 1 10 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.069 0.976 25469 5921 1 10 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.633 -0.590 25469 5922 1 10 . 1 1 102 102 ALA H H 102 8.212 8.212 7.823 0.389 25469 5923 1 10 . 1 1 103 103 GLU N N 103 118.735 118.735 118.802 -0.067 25469 5924 1 10 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.205 -0.004 25469 5925 1 10 . 1 1 103 103 GLU C C 103 176.516 176.516 176.931 -0.415 25469 5926 1 10 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.889 -1.233 25469 5927 1 10 . 1 1 103 103 GLU CB C 103 30.227 30.227 28.847 1.380 25469 5928 1 10 . 1 1 103 103 GLU H H 103 8.071 8.071 8.821 -0.750 25469 5929 1 10 . 1 1 104 104 MET N N 104 120.106 120.106 112.646 7.460 25469 5930 1 10 . 1 1 104 104 MET HA H 104 4.326 4.326 4.557 -0.231 25469 5931 1 10 . 1 1 104 104 MET C C 104 175.862 175.862 174.908 0.954 25469 5932 1 10 . 1 1 104 104 MET CA C 104 55.939 55.939 54.961 0.978 25469 5933 1 10 . 1 1 104 104 MET CB C 104 32.999 32.999 33.414 -0.416 25469 5934 1 10 . 1 1 104 104 MET H H 104 8.073 8.073 7.670 0.403 25469 5935 1 10 . 1 1 105 105 TYR N N 105 120.285 120.285 118.606 1.679 25469 5936 1 10 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.783 -0.130 25469 5937 1 10 . 1 1 105 105 TYR C C 105 175.319 175.319 176.916 -1.597 25469 5938 1 10 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.422 0.173 25469 5939 1 10 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.133 -0.195 25469 5940 1 10 . 1 1 105 105 TYR H H 105 8.126 8.126 7.483 0.643 25469 5941 1 11 . 1 1 3 3 SER HA H 3 4.553 4.553 4.461 0.092 25469 5942 1 11 . 1 1 3 3 SER C C 3 173.408 173.408 175.471 -2.063 25469 5943 1 11 . 1 1 3 3 SER CA C 3 58.273 58.273 57.115 1.157 25469 5944 1 11 . 1 1 3 3 SER CB C 3 63.940 63.940 64.018 -0.078 25469 5945 1 11 . 1 1 4 4 ASN N N 4 120.235 120.235 119.722 0.513 25469 5946 1 11 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.995 0.222 25469 5947 1 11 . 1 1 4 4 ASN C C 4 176.243 176.243 174.523 1.720 25469 5948 1 11 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.147 -0.103 25469 5949 1 11 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.586 0.146 25469 5950 1 11 . 1 1 4 4 ASN H H 4 8.774 8.774 8.608 0.166 25469 5951 1 11 . 1 1 5 5 VAL N N 5 122.554 122.554 120.786 1.768 25469 5952 1 11 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.261 -0.492 25469 5953 1 11 . 1 1 5 5 VAL C C 5 177.223 177.223 175.423 1.800 25469 5954 1 11 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.583 3.228 25469 5955 1 11 . 1 1 5 5 VAL CB C 5 30.874 30.874 33.182 -2.308 25469 5956 1 11 . 1 1 5 5 VAL H H 5 8.315 8.315 7.321 0.994 25469 5957 1 11 . 1 1 6 6 THR N N 6 118.503 118.503 114.891 3.612 25469 5958 1 11 . 1 1 6 6 THR HA H 6 4.678 4.678 4.424 0.254 25469 5959 1 11 . 1 1 6 6 THR C C 6 174.350 174.350 173.312 1.038 25469 5960 1 11 . 1 1 6 6 THR CA C 6 60.560 60.560 61.330 -0.770 25469 5961 1 11 . 1 1 6 6 THR CB C 6 69.833 69.833 69.872 -0.039 25469 5962 1 11 . 1 1 6 6 THR H H 6 9.394 9.394 8.344 1.050 25469 5963 1 11 . 1 1 7 7 ASN N N 7 120.872 120.872 119.885 0.987 25469 5964 1 11 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.629 -0.073 25469 5965 1 11 . 1 1 7 7 ASN C C 7 176.866 176.866 174.073 2.793 25469 5966 1 11 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.794 -0.897 25469 5967 1 11 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.694 -0.612 25469 5968 1 11 . 1 1 7 7 ASN H H 7 7.976 7.976 8.023 -0.047 25469 5969 1 11 . 1 1 8 8 LYS N N 8 121.728 121.728 123.900 -2.172 25469 5970 1 11 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.631 -0.375 25469 5971 1 11 . 1 1 8 8 LYS C C 8 180.142 180.142 175.296 4.846 25469 5972 1 11 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.444 2.756 25469 5973 1 11 . 1 1 8 8 LYS CB C 8 32.292 32.292 36.143 -3.851 25469 5974 1 11 . 1 1 8 8 LYS H H 8 8.572 8.572 8.041 0.531 25469 5975 1 11 . 1 1 9 9 THR N N 9 110.858 110.858 110.459 0.399 25469 5976 1 11 . 1 1 9 9 THR HA H 9 4.463 4.463 4.462 0.001 25469 5977 1 11 . 1 1 9 9 THR C C 9 174.485 174.485 173.453 1.032 25469 5978 1 11 . 1 1 9 9 THR CA C 9 61.246 61.246 61.183 0.063 25469 5979 1 11 . 1 1 9 9 THR CB C 9 69.039 69.039 69.459 -0.420 25469 5980 1 11 . 1 1 9 9 THR H H 9 8.691 8.691 8.594 0.097 25469 5981 1 11 . 1 1 10 10 ASP N N 10 121.014 121.014 123.293 -2.279 25469 5982 1 11 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.817 0.008 25469 5983 1 11 . 1 1 10 10 ASP C C 10 173.946 173.946 176.209 -2.263 25469 5984 1 11 . 1 1 10 10 ASP CA C 10 52.564 52.564 52.803 -0.239 25469 5985 1 11 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.156 -1.555 25469 5986 1 11 . 1 1 10 10 ASP H H 10 7.907 7.907 7.881 0.026 25469 5987 1 11 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.324 -0.169 25469 5988 1 11 . 1 1 11 11 PRO C C 11 178.421 178.421 176.702 1.719 25469 5989 1 11 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.832 1.409 25469 5990 1 11 . 1 1 11 11 PRO CB C 11 32.198 32.198 31.954 0.244 25469 5991 1 11 . 1 1 12 12 ARG N N 12 116.361 116.361 115.192 1.169 25469 5992 1 11 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.495 -0.403 25469 5993 1 11 . 1 1 12 12 ARG C C 12 180.446 180.446 177.130 3.316 25469 5994 1 11 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.763 1.772 25469 5995 1 11 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.175 -1.925 25469 5996 1 11 . 1 1 12 12 ARG H H 12 7.940 7.940 8.018 -0.078 25469 5997 1 11 . 1 1 13 13 SER N N 13 119.379 119.379 116.918 2.461 25469 5998 1 11 . 1 1 13 13 SER HA H 13 4.052 4.052 4.360 -0.308 25469 5999 1 11 . 1 1 13 13 SER C C 13 178.762 178.762 175.515 3.247 25469 6000 1 11 . 1 1 13 13 SER CA C 13 61.529 61.529 61.172 0.357 25469 6001 1 11 . 1 1 13 13 SER CB C 13 61.778 61.778 63.279 -1.501 25469 6002 1 11 . 1 1 13 13 SER H H 13 8.143 8.143 8.403 -0.260 25469 6003 1 11 . 1 1 14 14 MET N N 14 120.327 120.327 113.784 6.543 25469 6004 1 11 . 1 1 14 14 MET HA H 14 4.097 4.097 4.717 -0.620 25469 6005 1 11 . 1 1 14 14 MET C C 14 178.576 178.576 175.237 3.339 25469 6006 1 11 . 1 1 14 14 MET CA C 14 58.293 58.293 56.210 2.083 25469 6007 1 11 . 1 1 14 14 MET CB C 14 31.813 31.813 33.856 -2.043 25469 6008 1 11 . 1 1 14 14 MET H H 14 8.238 8.238 7.612 0.626 25469 6009 1 11 . 1 1 15 15 ASN N N 15 115.378 115.378 117.811 -2.433 25469 6010 1 11 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.953 -0.328 25469 6011 1 11 . 1 1 15 15 ASN C C 15 172.556 172.556 177.096 -4.540 25469 6012 1 11 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.410 -0.381 25469 6013 1 11 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.404 -2.753 25469 6014 1 11 . 1 1 15 15 ASN H H 15 7.968 7.968 7.910 0.058 25469 6015 1 11 . 1 1 16 16 SER N N 16 106.215 106.215 116.009 -9.794 25469 6016 1 11 . 1 1 16 16 SER HA H 16 4.495 4.495 4.645 -0.150 25469 6017 1 11 . 1 1 16 16 SER C C 16 172.121 172.121 174.291 -2.170 25469 6018 1 11 . 1 1 16 16 SER CA C 16 56.785 56.785 59.687 -2.902 25469 6019 1 11 . 1 1 16 16 SER CB C 16 63.428 63.428 63.775 -0.347 25469 6020 1 11 . 1 1 16 16 SER H H 16 7.253 7.253 8.552 -1.299 25469 6021 1 11 . 1 1 17 17 ARG N N 17 123.348 123.348 122.915 0.433 25469 6022 1 11 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.134 0.458 25469 6023 1 11 . 1 1 17 17 ARG C C 17 174.491 174.491 174.828 -0.337 25469 6024 1 11 . 1 1 17 17 ARG CA C 17 54.379 54.379 56.093 -1.714 25469 6025 1 11 . 1 1 17 17 ARG CB C 17 32.909 32.909 32.623 0.286 25469 6026 1 11 . 1 1 17 17 ARG H H 17 7.405 7.405 7.775 -0.370 25469 6027 1 11 . 1 1 18 18 VAL N N 18 122.328 122.328 123.534 -1.206 25469 6028 1 11 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.589 0.120 25469 6029 1 11 . 1 1 18 18 VAL C C 18 174.863 174.863 174.347 0.516 25469 6030 1 11 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.637 -0.980 25469 6031 1 11 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.729 -0.427 25469 6032 1 11 . 1 1 18 18 VAL H H 18 9.260 9.260 9.015 0.245 25469 6033 1 11 . 1 1 19 19 PHE N N 19 126.010 126.010 128.943 -2.933 25469 6034 1 11 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.396 0.070 25469 6035 1 11 . 1 1 19 19 PHE C C 19 171.967 171.967 173.742 -1.775 25469 6036 1 11 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.411 1.698 25469 6037 1 11 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.358 -0.335 25469 6038 1 11 . 1 1 19 19 PHE H H 19 9.159 9.159 9.352 -0.193 25469 6039 1 11 . 1 1 20 20 ILE N N 20 126.422 126.422 127.504 -1.082 25469 6040 1 11 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.094 -0.233 25469 6041 1 11 . 1 1 20 20 ILE C C 20 173.050 173.050 174.433 -1.383 25469 6042 1 11 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.919 -0.571 25469 6043 1 11 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.080 1.120 25469 6044 1 11 . 1 1 20 20 ILE H H 20 7.716 7.716 8.334 -0.618 25469 6045 1 11 . 1 1 21 21 GLY N N 21 113.182 113.182 111.655 1.527 25469 6046 1 11 . 1 1 21 21 GLY C C 21 173.769 173.769 173.907 -0.138 25469 6047 1 11 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.236 0.624 25469 6048 1 11 . 1 1 21 21 GLY H H 21 8.550 8.550 7.967 0.583 25469 6049 1 11 . 1 1 22 22 ASN N N 22 116.072 116.072 115.575 0.497 25469 6050 1 11 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.347 0.000 25469 6051 1 11 . 1 1 22 22 ASN C C 22 174.205 174.205 173.894 0.311 25469 6052 1 11 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.711 -0.278 25469 6053 1 11 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.721 1.105 25469 6054 1 11 . 1 1 22 22 ASN H H 22 7.291 7.291 8.614 -1.323 25469 6055 1 11 . 1 1 23 23 LEU N N 23 118.873 118.873 118.900 -0.027 25469 6056 1 11 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.675 -0.747 25469 6057 1 11 . 1 1 23 23 LEU C C 23 176.551 176.551 176.256 0.295 25469 6058 1 11 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.394 -0.729 25469 6059 1 11 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.317 0.032 25469 6060 1 11 . 1 1 23 23 LEU H H 23 7.279 7.279 7.960 -0.681 25469 6061 1 11 . 1 1 24 24 ASN N N 24 124.260 124.260 123.272 0.988 25469 6062 1 11 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.478 0.281 25469 6063 1 11 . 1 1 24 24 ASN C C 24 175.831 175.831 175.663 0.168 25469 6064 1 11 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.266 -3.626 25469 6065 1 11 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.647 -3.092 25469 6066 1 11 . 1 1 24 24 ASN H H 24 9.075 9.075 8.835 0.240 25469 6067 1 11 . 1 1 25 25 THR N N 25 118.101 118.101 106.868 11.233 25469 6068 1 11 . 1 1 25 25 THR HA H 25 4.377 4.377 4.101 0.276 25469 6069 1 11 . 1 1 25 25 THR C C 25 175.286 175.286 173.905 1.381 25469 6070 1 11 . 1 1 25 25 THR CA C 25 63.324 63.324 63.600 -0.276 25469 6071 1 11 . 1 1 25 25 THR CB C 25 67.439 67.439 67.884 -0.445 25469 6072 1 11 . 1 1 25 25 THR H H 25 8.226 8.226 8.049 0.177 25469 6073 1 11 . 1 1 26 26 LEU N N 26 121.285 121.285 118.971 2.314 25469 6074 1 11 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.460 -0.149 25469 6075 1 11 . 1 1 26 26 LEU C C 26 178.244 178.244 176.642 1.602 25469 6076 1 11 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.280 1.034 25469 6077 1 11 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.531 -1.203 25469 6078 1 11 . 1 1 26 26 LEU H H 26 7.670 7.670 7.744 -0.074 25469 6079 1 11 . 1 1 27 27 VAL N N 27 114.562 114.562 115.931 -1.369 25469 6080 1 11 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.211 -0.164 25469 6081 1 11 . 1 1 27 27 VAL C C 27 175.200 175.200 175.666 -0.466 25469 6082 1 11 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.952 0.079 25469 6083 1 11 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.006 2.176 25469 6084 1 11 . 1 1 27 27 VAL H H 27 6.790 6.790 7.558 -0.768 25469 6085 1 11 . 1 1 28 28 VAL N N 28 121.996 121.996 120.287 1.709 25469 6086 1 11 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.196 -0.337 25469 6087 1 11 . 1 1 28 28 VAL C C 28 174.352 174.352 174.991 -0.639 25469 6088 1 11 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.945 1.247 25469 6089 1 11 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.061 -1.120 25469 6090 1 11 . 1 1 28 28 VAL H H 28 8.276 8.276 7.755 0.521 25469 6091 1 11 . 1 1 29 29 LYS N N 29 124.228 124.228 124.146 0.082 25469 6092 1 11 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.701 -0.099 25469 6093 1 11 . 1 1 29 29 LYS C C 29 177.959 177.959 176.830 1.129 25469 6094 1 11 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.661 -1.015 25469 6095 1 11 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.915 -1.520 25469 6096 1 11 . 1 1 29 29 LYS H H 29 8.925 8.925 7.960 0.965 25469 6097 1 11 . 1 1 30 30 LYS N N 30 123.350 123.350 121.000 2.350 25469 6098 1 11 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.063 -0.409 25469 6099 1 11 . 1 1 30 30 LYS C C 30 177.639 177.639 176.915 0.724 25469 6100 1 11 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.453 2.947 25469 6101 1 11 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.788 0.861 25469 6102 1 11 . 1 1 30 30 LYS H H 30 8.993 8.993 8.788 0.205 25469 6103 1 11 . 1 1 31 31 SER N N 31 111.465 111.465 111.397 0.068 25469 6104 1 11 . 1 1 31 31 SER HA H 31 4.167 4.167 4.775 -0.608 25469 6105 1 11 . 1 1 31 31 SER C C 31 177.617 177.617 174.780 2.837 25469 6106 1 11 . 1 1 31 31 SER CA C 31 61.389 61.389 58.410 2.979 25469 6107 1 11 . 1 1 31 31 SER CB C 31 61.533 61.533 63.978 -2.445 25469 6108 1 11 . 1 1 31 31 SER H H 31 8.669 8.669 7.996 0.673 25469 6109 1 11 . 1 1 32 32 ASP N N 32 122.187 122.187 122.365 -0.178 25469 6110 1 11 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.821 -0.301 25469 6111 1 11 . 1 1 32 32 ASP C C 32 178.194 178.194 178.431 -0.237 25469 6112 1 11 . 1 1 32 32 ASP CA C 32 57.188 57.188 56.072 1.117 25469 6113 1 11 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.152 -0.305 25469 6114 1 11 . 1 1 32 32 ASP H H 32 7.141 7.141 8.029 -0.888 25469 6115 1 11 . 1 1 33 33 VAL N N 33 120.138 120.138 119.862 0.276 25469 6116 1 11 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.937 -0.476 25469 6117 1 11 . 1 1 33 33 VAL C C 33 178.624 178.624 176.656 1.968 25469 6118 1 11 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.840 0.534 25469 6119 1 11 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.650 -0.365 25469 6120 1 11 . 1 1 33 33 VAL H H 33 7.956 7.956 8.137 -0.181 25469 6121 1 11 . 1 1 34 34 GLU N N 34 118.717 118.717 116.295 2.422 25469 6122 1 11 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.210 -0.456 25469 6123 1 11 . 1 1 34 34 GLU C C 34 178.701 178.701 175.902 2.799 25469 6124 1 11 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.572 2.933 25469 6125 1 11 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.759 0.585 25469 6126 1 11 . 1 1 34 34 GLU H H 34 8.637 8.637 8.672 -0.035 25469 6127 1 11 . 1 1 35 35 ALA N N 35 121.541 121.541 119.979 1.562 25469 6128 1 11 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.568 -0.419 25469 6129 1 11 . 1 1 35 35 ALA C C 35 180.483 180.483 177.350 3.133 25469 6130 1 11 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.665 2.851 25469 6131 1 11 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.253 -2.205 25469 6132 1 11 . 1 1 35 35 ALA H H 35 7.823 7.823 7.941 -0.118 25469 6133 1 11 . 1 1 36 36 ILE N N 36 117.449 117.449 117.221 0.228 25469 6134 1 11 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.035 -0.372 25469 6135 1 11 . 1 1 36 36 ILE C C 36 178.665 178.665 175.886 2.779 25469 6136 1 11 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.864 1.947 25469 6137 1 11 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.540 0.250 25469 6138 1 11 . 1 1 36 36 ILE H H 36 7.773 7.773 7.527 0.246 25469 6139 1 11 . 1 1 37 37 PHE N N 37 113.524 113.524 117.086 -3.562 25469 6140 1 11 . 1 1 37 37 PHE HA H 37 4.358 4.358 5.010 -0.652 25469 6141 1 11 . 1 1 37 37 PHE C C 37 179.593 179.593 177.430 2.163 25469 6142 1 11 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.387 3.293 25469 6143 1 11 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.604 -3.394 25469 6144 1 11 . 1 1 37 37 PHE H H 37 8.566 8.566 8.316 0.250 25469 6145 1 11 . 1 1 38 38 SER N N 38 122.025 122.025 114.943 7.082 25469 6146 1 11 . 1 1 38 38 SER HA H 38 4.821 4.821 4.686 0.135 25469 6147 1 11 . 1 1 38 38 SER C C 38 175.439 175.439 175.466 -0.027 25469 6148 1 11 . 1 1 38 38 SER CA C 38 61.519 61.519 60.172 1.347 25469 6149 1 11 . 1 1 38 38 SER CB C 38 62.765 62.765 63.533 -0.768 25469 6150 1 11 . 1 1 38 38 SER H H 38 8.834 8.834 8.543 0.291 25469 6151 1 11 . 1 1 39 39 LYS N N 39 119.387 119.387 118.856 0.531 25469 6152 1 11 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.076 -0.115 25469 6153 1 11 . 1 1 39 39 LYS C C 39 177.064 177.064 176.195 0.869 25469 6154 1 11 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.311 0.968 25469 6155 1 11 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.415 0.171 25469 6156 1 11 . 1 1 39 39 LYS H H 39 7.054 7.054 7.930 -0.876 25469 6157 1 11 . 1 1 40 40 TYR N N 40 114.433 114.433 118.619 -4.186 25469 6158 1 11 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.595 -0.318 25469 6159 1 11 . 1 1 40 40 TYR C C 40 174.842 174.842 174.963 -0.121 25469 6160 1 11 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.927 0.923 25469 6161 1 11 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.035 -1.608 25469 6162 1 11 . 1 1 40 40 TYR H H 40 6.956 6.956 7.418 -0.462 25469 6163 1 11 . 1 1 41 41 GLY N N 41 106.514 106.514 104.819 1.695 25469 6164 1 11 . 1 1 41 41 GLY C C 41 170.573 170.573 171.794 -1.221 25469 6165 1 11 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.893 -0.337 25469 6166 1 11 . 1 1 41 41 GLY H H 41 7.428 7.428 7.335 0.093 25469 6167 1 11 . 1 1 42 42 LYS N N 42 117.788 117.788 121.630 -3.842 25469 6168 1 11 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.386 -0.189 25469 6169 1 11 . 1 1 42 42 LYS C C 42 176.536 176.536 175.942 0.594 25469 6170 1 11 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.631 0.505 25469 6171 1 11 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.970 -0.003 25469 6172 1 11 . 1 1 42 42 LYS H H 42 8.034 8.034 8.462 -0.428 25469 6173 1 11 . 1 1 43 43 ILE N N 43 127.104 127.104 127.460 -0.356 25469 6174 1 11 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.516 -0.492 25469 6175 1 11 . 1 1 43 43 ILE C C 43 176.993 176.993 176.468 0.525 25469 6176 1 11 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.632 -0.252 25469 6177 1 11 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.660 0.253 25469 6178 1 11 . 1 1 43 43 ILE H H 43 8.711 8.711 8.666 0.045 25469 6179 1 11 . 1 1 44 44 VAL N N 44 121.993 121.993 120.531 1.462 25469 6180 1 11 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.481 -0.117 25469 6181 1 11 . 1 1 44 44 VAL C C 44 176.853 176.853 175.365 1.488 25469 6182 1 11 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.897 0.961 25469 6183 1 11 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.057 -0.505 25469 6184 1 11 . 1 1 44 44 VAL H H 44 8.711 8.711 8.713 -0.002 25469 6185 1 11 . 1 1 45 45 GLY N N 45 109.507 109.507 107.265 2.242 25469 6186 1 11 . 1 1 45 45 GLY C C 45 171.266 171.266 171.719 -0.453 25469 6187 1 11 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.659 -0.650 25469 6188 1 11 . 1 1 45 45 GLY H H 45 7.530 7.530 7.408 0.122 25469 6189 1 11 . 1 1 46 46 CYS N N 46 124.546 124.546 120.591 3.955 25469 6190 1 11 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.469 -0.438 25469 6191 1 11 . 1 1 46 46 CYS C C 46 172.073 172.073 172.360 -0.287 25469 6192 1 11 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.735 0.228 25469 6193 1 11 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.342 -3.000 25469 6194 1 11 . 1 1 46 46 CYS H H 46 8.982 8.982 9.141 -0.159 25469 6195 1 11 . 1 1 47 47 SER N N 47 122.933 122.933 118.796 4.137 25469 6196 1 11 . 1 1 47 47 SER HA H 47 4.908 4.908 4.865 0.043 25469 6197 1 11 . 1 1 47 47 SER C C 47 171.849 171.849 172.046 -0.197 25469 6198 1 11 . 1 1 47 47 SER CA C 47 56.585 56.585 57.295 -0.710 25469 6199 1 11 . 1 1 47 47 SER CB C 47 65.733 65.733 64.978 0.755 25469 6200 1 11 . 1 1 47 47 SER H H 47 8.569 8.569 8.972 -0.403 25469 6201 1 11 . 1 1 48 48 VAL N N 48 121.588 121.588 122.721 -1.133 25469 6202 1 11 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.274 -0.136 25469 6203 1 11 . 1 1 48 48 VAL C C 48 173.991 173.991 174.237 -0.246 25469 6204 1 11 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.308 1.002 25469 6205 1 11 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.583 -0.659 25469 6206 1 11 . 1 1 48 48 VAL H H 48 8.565 8.565 8.236 0.329 25469 6207 1 11 . 1 1 49 49 HIS N N 49 130.308 130.308 123.605 6.703 25469 6208 1 11 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.769 -0.337 25469 6209 1 11 . 1 1 49 49 HIS C C 49 173.950 173.950 173.945 0.005 25469 6210 1 11 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.190 0.461 25469 6211 1 11 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.681 -1.128 25469 6212 1 11 . 1 1 49 49 HIS H H 49 8.441 8.441 8.811 -0.370 25469 6213 1 11 . 1 1 50 50 LYS N N 50 121.937 121.937 120.009 1.928 25469 6214 1 11 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.079 0.381 25469 6215 1 11 . 1 1 50 50 LYS C C 50 175.528 175.528 177.142 -1.614 25469 6216 1 11 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.307 -0.018 25469 6217 1 11 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.526 -2.048 25469 6218 1 11 . 1 1 50 50 LYS H H 50 7.926 7.926 8.111 -0.185 25469 6219 1 11 . 1 1 51 51 GLY N N 51 114.868 114.868 112.253 2.615 25469 6220 1 11 . 1 1 51 51 GLY C C 51 174.253 174.253 172.847 1.406 25469 6221 1 11 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.053 -0.533 25469 6222 1 11 . 1 1 51 51 GLY H H 51 8.644 8.644 8.618 0.026 25469 6223 1 11 . 1 1 52 52 PHE N N 52 112.790 112.790 115.026 -2.236 25469 6224 1 11 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.606 -0.358 25469 6225 1 11 . 1 1 52 52 PHE C C 52 171.606 171.606 172.857 -1.251 25469 6226 1 11 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.433 0.797 25469 6227 1 11 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.377 -0.332 25469 6228 1 11 . 1 1 52 52 PHE H H 52 7.005 7.005 7.201 -0.196 25469 6229 1 11 . 1 1 53 53 ALA N N 53 119.858 119.858 119.255 0.603 25469 6230 1 11 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.867 -0.032 25469 6231 1 11 . 1 1 53 53 ALA C C 53 173.030 173.030 174.570 -1.540 25469 6232 1 11 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.136 -0.790 25469 6233 1 11 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.464 2.269 25469 6234 1 11 . 1 1 53 53 ALA H H 53 8.724 8.724 8.446 0.278 25469 6235 1 11 . 1 1 54 54 PHE N N 54 112.158 112.158 116.278 -4.120 25469 6236 1 11 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.650 -0.070 25469 6237 1 11 . 1 1 54 54 PHE C C 54 175.765 175.765 174.118 1.647 25469 6238 1 11 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.043 -0.439 25469 6239 1 11 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.483 -0.189 25469 6240 1 11 . 1 1 54 54 PHE H H 54 8.764 8.764 9.184 -0.420 25469 6241 1 11 . 1 1 55 55 VAL N N 55 118.628 118.628 121.196 -2.568 25469 6242 1 11 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.523 -0.311 25469 6243 1 11 . 1 1 55 55 VAL C C 55 172.807 172.807 173.650 -0.843 25469 6244 1 11 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.046 0.831 25469 6245 1 11 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.878 -0.925 25469 6246 1 11 . 1 1 55 55 VAL H H 55 8.310 8.310 8.932 -0.622 25469 6247 1 11 . 1 1 56 56 GLN N N 56 128.402 128.402 124.221 4.181 25469 6248 1 11 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.697 -0.132 25469 6249 1 11 . 1 1 56 56 GLN C C 56 173.894 173.894 174.137 -0.243 25469 6250 1 11 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.857 0.356 25469 6251 1 11 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.886 0.220 25469 6252 1 11 . 1 1 56 56 GLN H H 56 9.253 9.253 8.868 0.385 25469 6253 1 11 . 1 1 57 57 TYR N N 57 127.617 127.617 123.796 3.821 25469 6254 1 11 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.412 -0.131 25469 6255 1 11 . 1 1 57 57 TYR C C 57 175.610 175.610 177.078 -1.468 25469 6256 1 11 . 1 1 57 57 TYR CA C 57 58.691 58.691 55.989 2.702 25469 6257 1 11 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.159 -1.090 25469 6258 1 11 . 1 1 57 57 TYR H H 57 8.919 8.919 8.785 0.134 25469 6259 1 11 . 1 1 58 58 VAL N N 58 116.705 116.705 119.286 -2.581 25469 6260 1 11 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.847 0.266 25469 6261 1 11 . 1 1 58 58 VAL C C 58 175.860 175.860 175.924 -0.064 25469 6262 1 11 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.846 -0.817 25469 6263 1 11 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.248 0.801 25469 6264 1 11 . 1 1 58 58 VAL H H 58 9.458 9.458 8.897 0.561 25469 6265 1 11 . 1 1 59 59 ASN N N 59 112.563 112.563 113.997 -1.434 25469 6266 1 11 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.874 0.276 25469 6267 1 11 . 1 1 59 59 ASN C C 59 174.483 174.483 174.390 0.093 25469 6268 1 11 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.378 -0.426 25469 6269 1 11 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.086 2.091 25469 6270 1 11 . 1 1 59 59 ASN H H 59 7.230 7.230 7.486 -0.256 25469 6271 1 11 . 1 1 60 60 GLU N N 60 124.320 124.320 119.521 4.799 25469 6272 1 11 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.204 0.111 25469 6273 1 11 . 1 1 60 60 GLU C C 60 178.202 178.202 177.885 0.317 25469 6274 1 11 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.448 -0.667 25469 6275 1 11 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.758 0.620 25469 6276 1 11 . 1 1 60 60 GLU H H 60 8.807 8.807 8.910 -0.103 25469 6277 1 11 . 1 1 61 61 ARG N N 61 118.347 118.347 119.076 -0.729 25469 6278 1 11 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.040 -0.050 25469 6279 1 11 . 1 1 61 61 ARG C C 61 179.341 179.341 178.519 0.822 25469 6280 1 11 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.573 0.894 25469 6281 1 11 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.765 -0.364 25469 6282 1 11 . 1 1 61 61 ARG H H 61 8.620 8.620 8.306 0.314 25469 6283 1 11 . 1 1 62 62 ASN N N 62 118.085 118.085 117.272 0.813 25469 6284 1 11 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.319 -0.042 25469 6285 1 11 . 1 1 62 62 ASN C C 62 174.852 174.852 176.534 -1.682 25469 6286 1 11 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.268 0.197 25469 6287 1 11 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.177 0.830 25469 6288 1 11 . 1 1 62 62 ASN H H 62 7.781 7.781 7.952 -0.171 25469 6289 1 11 . 1 1 63 63 ALA N N 63 119.580 119.580 122.733 -3.153 25469 6290 1 11 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.441 -0.693 25469 6291 1 11 . 1 1 63 63 ALA C C 63 178.862 178.862 179.373 -0.511 25469 6292 1 11 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.697 0.264 25469 6293 1 11 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.740 -0.199 25469 6294 1 11 . 1 1 63 63 ALA H H 63 6.775 6.775 7.259 -0.484 25469 6295 1 11 . 1 1 64 64 ARG N N 64 114.991 114.991 118.558 -3.567 25469 6296 1 11 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.130 -0.290 25469 6297 1 11 . 1 1 64 64 ARG C C 64 179.776 179.776 178.632 1.144 25469 6298 1 11 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.276 1.906 25469 6299 1 11 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.781 -0.534 25469 6300 1 11 . 1 1 64 64 ARG H H 64 8.737 8.737 8.480 0.257 25469 6301 1 11 . 1 1 65 65 ALA N N 65 123.698 123.698 121.217 2.481 25469 6302 1 11 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.270 -0.143 25469 6303 1 11 . 1 1 65 65 ALA C C 65 179.561 179.561 178.528 1.033 25469 6304 1 11 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.522 0.426 25469 6305 1 11 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.345 -0.453 25469 6306 1 11 . 1 1 65 65 ALA H H 65 7.820 7.820 7.558 0.262 25469 6307 1 11 . 1 1 66 66 ALA N N 66 123.811 123.811 120.196 3.615 25469 6308 1 11 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.715 -1.648 25469 6309 1 11 . 1 1 66 66 ALA C C 66 179.260 179.260 179.441 -0.181 25469 6310 1 11 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.482 -0.173 25469 6311 1 11 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.083 0.225 25469 6312 1 11 . 1 1 66 66 ALA H H 66 7.538 7.538 7.388 0.150 25469 6313 1 11 . 1 1 67 67 VAL N N 67 116.571 116.571 118.410 -1.839 25469 6314 1 11 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.689 -0.334 25469 6315 1 11 . 1 1 67 67 VAL C C 67 177.744 177.744 177.563 0.181 25469 6316 1 11 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.840 -0.310 25469 6317 1 11 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.674 0.293 25469 6318 1 11 . 1 1 67 67 VAL H H 67 7.612 7.612 8.383 -0.771 25469 6319 1 11 . 1 1 68 68 ALA N N 68 118.239 118.239 120.354 -2.115 25469 6320 1 11 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.333 -0.212 25469 6321 1 11 . 1 1 68 68 ALA C C 68 180.749 180.749 178.191 2.558 25469 6322 1 11 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.542 0.810 25469 6323 1 11 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.618 -0.521 25469 6324 1 11 . 1 1 68 68 ALA H H 68 7.549 7.549 7.529 0.020 25469 6325 1 11 . 1 1 69 69 GLY N N 69 103.748 103.748 105.146 -1.398 25469 6326 1 11 . 1 1 69 69 GLY C C 69 175.627 175.627 174.914 0.713 25469 6327 1 11 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.028 1.058 25469 6328 1 11 . 1 1 69 69 GLY H H 69 8.135 8.135 7.309 0.826 25469 6329 1 11 . 1 1 70 70 GLU N N 70 114.571 114.571 116.266 -1.695 25469 6330 1 11 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.371 0.261 25469 6331 1 11 . 1 1 70 70 GLU C C 70 176.392 176.392 175.040 1.352 25469 6332 1 11 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.895 -0.697 25469 6333 1 11 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.937 -0.565 25469 6334 1 11 . 1 1 70 70 GLU H H 70 7.653 7.653 7.596 0.057 25469 6335 1 11 . 1 1 71 71 ASP N N 71 118.127 118.127 121.183 -3.056 25469 6336 1 11 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.359 -0.074 25469 6337 1 11 . 1 1 71 71 ASP C C 71 178.699 178.699 177.052 1.647 25469 6338 1 11 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.014 1.528 25469 6339 1 11 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.226 1.144 25469 6340 1 11 . 1 1 71 71 ASP H H 71 8.026 8.026 7.572 0.454 25469 6341 1 11 . 1 1 72 72 GLY N N 72 114.353 114.353 113.728 0.625 25469 6342 1 11 . 1 1 72 72 GLY C C 72 173.792 173.792 174.372 -0.580 25469 6343 1 11 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.148 0.611 25469 6344 1 11 . 1 1 72 72 GLY H H 72 8.292 8.292 8.117 0.175 25469 6345 1 11 . 1 1 73 73 ARG N N 73 121.996 121.996 119.303 2.693 25469 6346 1 11 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.435 -0.249 25469 6347 1 11 . 1 1 73 73 ARG C C 73 175.188 175.188 174.846 0.342 25469 6348 1 11 . 1 1 73 73 ARG CA C 73 56.476 56.476 55.030 1.446 25469 6349 1 11 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.224 0.095 25469 6350 1 11 . 1 1 73 73 ARG H H 73 7.981 7.981 8.055 -0.074 25469 6351 1 11 . 1 1 74 74 MET N N 74 125.120 125.120 120.572 4.548 25469 6352 1 11 . 1 1 74 74 MET HA H 74 4.795 4.795 4.753 0.042 25469 6353 1 11 . 1 1 74 74 MET C C 74 175.727 175.727 174.884 0.843 25469 6354 1 11 . 1 1 74 74 MET CA C 74 55.054 55.054 54.590 0.464 25469 6355 1 11 . 1 1 74 74 MET CB C 74 33.076 33.076 34.363 -1.287 25469 6356 1 11 . 1 1 74 74 MET H H 74 8.710 8.710 8.317 0.393 25469 6357 1 11 . 1 1 75 75 ILE N N 75 127.530 127.530 125.793 1.737 25469 6358 1 11 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.428 -0.041 25469 6359 1 11 . 1 1 75 75 ILE C C 75 175.277 175.277 175.647 -0.370 25469 6360 1 11 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.568 -0.837 25469 6361 1 11 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.362 -0.955 25469 6362 1 11 . 1 1 75 75 ILE H H 75 8.583 8.583 8.756 -0.173 25469 6363 1 11 . 1 1 76 76 ALA N N 76 132.166 132.166 130.115 2.051 25469 6364 1 11 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 6365 1 11 . 1 1 76 76 ALA C C 76 177.206 177.206 177.712 -0.506 25469 6366 1 11 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.256 -0.384 25469 6367 1 11 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.360 -0.112 25469 6368 1 11 . 1 1 76 76 ALA H H 76 9.540 9.540 9.043 0.496 25469 6369 1 11 . 1 1 77 77 GLY N N 77 101.685 101.685 102.802 -1.117 25469 6370 1 11 . 1 1 77 77 GLY C C 77 174.206 174.206 173.898 0.308 25469 6371 1 11 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.877 0.890 25469 6372 1 11 . 1 1 77 77 GLY H H 77 8.446 8.446 8.343 0.103 25469 6373 1 11 . 1 1 78 78 GLN N N 78 118.947 118.947 120.205 -1.258 25469 6374 1 11 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.698 0.033 25469 6375 1 11 . 1 1 78 78 GLN C C 78 174.047 174.047 175.007 -0.960 25469 6376 1 11 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.286 -0.025 25469 6377 1 11 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.417 0.687 25469 6378 1 11 . 1 1 78 78 GLN H H 78 7.708 7.708 8.148 -0.440 25469 6379 1 11 . 1 1 79 79 VAL N N 79 123.383 123.383 126.663 -3.280 25469 6380 1 11 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.504 -0.490 25469 6381 1 11 . 1 1 79 79 VAL C C 79 176.348 176.348 176.353 -0.005 25469 6382 1 11 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.246 -0.578 25469 6383 1 11 . 1 1 79 79 VAL CB C 79 32.129 32.129 31.989 0.140 25469 6384 1 11 . 1 1 79 79 VAL H H 79 8.570 8.570 8.544 0.026 25469 6385 1 11 . 1 1 80 80 LEU N N 80 128.544 128.544 126.527 2.017 25469 6386 1 11 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.708 -0.400 25469 6387 1 11 . 1 1 80 80 LEU C C 80 176.522 176.522 176.361 0.161 25469 6388 1 11 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.386 2.514 25469 6389 1 11 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.838 -0.939 25469 6390 1 11 . 1 1 80 80 LEU H H 80 9.002 9.002 8.462 0.540 25469 6391 1 11 . 1 1 81 81 ASP N N 81 124.135 124.135 122.417 1.718 25469 6392 1 11 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.232 -0.011 25469 6393 1 11 . 1 1 81 81 ASP C C 81 174.660 174.660 174.702 -0.042 25469 6394 1 11 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.927 -0.940 25469 6395 1 11 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.431 0.336 25469 6396 1 11 . 1 1 81 81 ASP H H 81 7.718 7.718 8.346 -0.628 25469 6397 1 11 . 1 1 82 82 ILE N N 82 123.344 123.344 123.284 0.060 25469 6398 1 11 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.794 0.603 25469 6399 1 11 . 1 1 82 82 ILE C C 82 174.521 174.521 174.844 -0.323 25469 6400 1 11 . 1 1 82 82 ILE CA C 82 59.134 59.134 60.014 -0.880 25469 6401 1 11 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.672 0.294 25469 6402 1 11 . 1 1 82 82 ILE H H 82 9.071 9.071 9.000 0.071 25469 6403 1 11 . 1 1 83 83 ASN N N 83 116.447 116.447 123.891 -7.444 25469 6404 1 11 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.063 -0.221 25469 6405 1 11 . 1 1 83 83 ASN C C 83 174.566 174.566 173.420 1.146 25469 6406 1 11 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.254 0.874 25469 6407 1 11 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.521 0.553 25469 6408 1 11 . 1 1 83 83 ASN H H 83 8.494 8.494 8.787 -0.293 25469 6409 1 11 . 1 1 84 84 LEU N N 84 123.786 123.786 121.286 2.500 25469 6410 1 11 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.505 0.215 25469 6411 1 11 . 1 1 84 84 LEU C C 84 180.969 180.969 178.588 2.381 25469 6412 1 11 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.460 -0.103 25469 6413 1 11 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.659 -1.340 25469 6414 1 11 . 1 1 84 84 LEU H H 84 9.414 9.414 8.859 0.555 25469 6415 1 11 . 1 1 85 85 ALA N N 85 127.577 127.577 124.159 3.418 25469 6416 1 11 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.350 -0.302 25469 6417 1 11 . 1 1 85 85 ALA C C 85 177.932 177.932 176.704 1.228 25469 6418 1 11 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.105 2.244 25469 6419 1 11 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.869 -0.881 25469 6420 1 11 . 1 1 85 85 ALA H H 85 9.279 9.279 8.279 1.000 25469 6421 1 11 . 1 1 86 86 ALA N N 86 116.071 116.071 116.507 -0.436 25469 6422 1 11 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.406 0.005 25469 6423 1 11 . 1 1 86 86 ALA C C 86 176.153 176.153 176.465 -0.312 25469 6424 1 11 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.099 -0.370 25469 6425 1 11 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.436 -0.126 25469 6426 1 11 . 1 1 86 86 ALA H H 86 8.687 8.687 8.080 0.607 25469 6427 1 11 . 1 1 87 87 GLU N N 87 118.959 118.959 119.133 -0.174 25469 6428 1 11 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.789 -0.053 25469 6429 1 11 . 1 1 87 87 GLU C C 87 171.677 171.677 173.638 -1.961 25469 6430 1 11 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.095 0.077 25469 6431 1 11 . 1 1 87 87 GLU CB C 87 29.973 29.973 29.575 0.398 25469 6432 1 11 . 1 1 87 87 GLU H H 87 7.901 7.901 7.902 -0.001 25469 6433 1 11 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.452 -0.109 25469 6434 1 11 . 1 1 88 88 PRO C C 88 177.303 177.303 176.609 0.694 25469 6435 1 11 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.298 -0.380 25469 6436 1 11 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.393 -0.495 25469 6437 1 11 . 1 1 89 89 LYS N N 89 121.298 121.298 122.535 -1.237 25469 6438 1 11 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.417 -0.190 25469 6439 1 11 . 1 1 89 89 LYS C C 89 177.690 177.690 176.038 1.652 25469 6440 1 11 . 1 1 89 89 LYS CA C 89 56.802 56.802 56.590 0.212 25469 6441 1 11 . 1 1 89 89 LYS CB C 89 33.504 33.504 33.020 0.485 25469 6442 1 11 . 1 1 89 89 LYS H H 89 7.973 7.973 8.742 -0.769 25469 6443 1 11 . 1 1 90 90 VAL N N 90 120.788 120.788 113.613 7.175 25469 6444 1 11 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.407 -0.478 25469 6445 1 11 . 1 1 90 90 VAL C C 90 176.170 176.170 175.132 1.038 25469 6446 1 11 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.534 0.683 25469 6447 1 11 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.493 -1.147 25469 6448 1 11 . 1 1 90 90 VAL H H 90 8.216 8.216 8.151 0.065 25469 6449 1 11 . 1 1 91 91 ASN N N 91 119.438 119.438 117.718 1.720 25469 6450 1 11 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.642 0.017 25469 6451 1 11 . 1 1 91 91 ASN C C 91 175.173 175.173 174.432 0.741 25469 6452 1 11 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.169 -0.132 25469 6453 1 11 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.503 -0.336 25469 6454 1 11 . 1 1 91 91 ASN H H 91 8.451 8.451 8.255 0.196 25469 6455 1 11 . 1 1 92 92 ARG N N 92 120.958 120.958 120.097 0.861 25469 6456 1 11 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.574 -0.337 25469 6457 1 11 . 1 1 92 92 ARG C C 92 177.002 177.002 175.527 1.475 25469 6458 1 11 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.728 0.916 25469 6459 1 11 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.940 -0.414 25469 6460 1 11 . 1 1 92 92 ARG H H 92 7.978 7.978 7.780 0.198 25469 6461 1 11 . 1 1 93 93 GLY N N 93 110.275 110.275 111.630 -1.355 25469 6462 1 11 . 1 1 93 93 GLY C C 93 174.246 174.246 173.295 0.951 25469 6463 1 11 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.213 0.171 25469 6464 1 11 . 1 1 93 93 GLY H H 93 8.604 8.604 8.555 0.049 25469 6465 1 11 . 1 1 94 94 LYS N N 94 120.750 120.750 119.788 0.962 25469 6466 1 11 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.713 -0.416 25469 6467 1 11 . 1 1 94 94 LYS C C 94 176.525 176.525 176.006 0.519 25469 6468 1 11 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.240 -0.197 25469 6469 1 11 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.858 -0.833 25469 6470 1 11 . 1 1 94 94 LYS H H 94 8.113 8.113 8.641 -0.528 25469 6471 1 11 . 1 1 95 95 ALA N N 95 124.912 124.912 120.985 3.927 25469 6472 1 11 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.751 -0.452 25469 6473 1 11 . 1 1 95 95 ALA C C 95 178.325 178.325 176.933 1.392 25469 6474 1 11 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.324 1.428 25469 6475 1 11 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.549 -1.409 25469 6476 1 11 . 1 1 95 95 ALA H H 95 8.367 8.367 7.857 0.510 25469 6477 1 11 . 1 1 96 96 GLY N N 96 108.328 108.328 106.466 1.862 25469 6478 1 11 . 1 1 96 96 GLY C C 96 174.096 174.096 174.795 -0.699 25469 6479 1 11 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.560 -0.319 25469 6480 1 11 . 1 1 96 96 GLY H H 96 8.390 8.390 8.591 -0.201 25469 6481 1 11 . 1 1 97 97 VAL N N 97 119.774 119.774 120.807 -1.033 25469 6482 1 11 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.033 0.044 25469 6483 1 11 . 1 1 97 97 VAL C C 97 176.156 176.156 176.095 0.061 25469 6484 1 11 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.798 -0.499 25469 6485 1 11 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.576 0.278 25469 6486 1 11 . 1 1 97 97 VAL H H 97 7.925 7.925 7.432 0.493 25469 6487 1 11 . 1 1 98 98 LYS N N 98 126.024 126.024 124.701 1.323 25469 6488 1 11 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.528 -0.202 25469 6489 1 11 . 1 1 98 98 LYS C C 98 176.427 176.427 176.186 0.241 25469 6490 1 11 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.837 0.264 25469 6491 1 11 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.120 0.941 25469 6492 1 11 . 1 1 98 98 LYS H H 98 8.473 8.473 8.477 -0.004 25469 6493 1 11 . 1 1 99 99 ARG N N 99 123.644 123.644 120.164 3.480 25469 6494 1 11 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.570 -0.191 25469 6495 1 11 . 1 1 99 99 ARG C C 99 176.231 176.231 176.841 -0.610 25469 6496 1 11 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.132 0.800 25469 6497 1 11 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.515 -1.248 25469 6498 1 11 . 1 1 99 99 ARG H H 99 8.464 8.464 7.611 0.853 25469 6499 1 11 . 1 1 100 100 SER N N 100 117.863 117.863 116.294 1.569 25469 6500 1 11 . 1 1 100 100 SER HA H 100 4.449 4.449 4.292 0.157 25469 6501 1 11 . 1 1 100 100 SER C C 100 174.556 174.556 174.773 -0.217 25469 6502 1 11 . 1 1 100 100 SER CA C 100 57.985 57.985 59.488 -1.503 25469 6503 1 11 . 1 1 100 100 SER CB C 100 64.167 64.167 63.232 0.935 25469 6504 1 11 . 1 1 100 100 SER H H 100 8.516 8.516 9.198 -0.682 25469 6505 1 11 . 1 1 101 101 ALA N N 101 126.048 126.048 119.986 6.062 25469 6506 1 11 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.067 0.190 25469 6507 1 11 . 1 1 101 101 ALA C C 101 178.047 178.047 176.575 1.472 25469 6508 1 11 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.564 -0.216 25469 6509 1 11 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.727 1.218 25469 6510 1 11 . 1 1 101 101 ALA H H 101 8.538 8.538 8.309 0.229 25469 6511 1 11 . 1 1 102 102 ALA N N 102 121.566 121.566 119.477 2.089 25469 6512 1 11 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.568 -0.343 25469 6513 1 11 . 1 1 102 102 ALA C C 102 178.254 178.254 178.262 -0.008 25469 6514 1 11 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.170 0.875 25469 6515 1 11 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.598 -0.555 25469 6516 1 11 . 1 1 102 102 ALA H H 102 8.212 8.212 8.136 0.076 25469 6517 1 11 . 1 1 103 103 GLU N N 103 118.735 118.735 118.078 0.657 25469 6518 1 11 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.293 -0.092 25469 6519 1 11 . 1 1 103 103 GLU C C 103 176.516 176.516 177.068 -0.552 25469 6520 1 11 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.745 -1.089 25469 6521 1 11 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.352 0.875 25469 6522 1 11 . 1 1 103 103 GLU H H 103 8.071 8.071 8.835 -0.764 25469 6523 1 11 . 1 1 104 104 MET N N 104 120.106 120.106 117.482 2.624 25469 6524 1 11 . 1 1 104 104 MET HA H 104 4.326 4.326 4.436 -0.110 25469 6525 1 11 . 1 1 104 104 MET C C 104 175.862 175.862 175.503 0.359 25469 6526 1 11 . 1 1 104 104 MET CA C 104 55.939 55.939 55.356 0.583 25469 6527 1 11 . 1 1 104 104 MET CB C 104 32.999 32.999 33.002 -0.003 25469 6528 1 11 . 1 1 104 104 MET H H 104 8.073 8.073 8.102 -0.029 25469 6529 1 11 . 1 1 105 105 TYR N N 105 120.285 120.285 117.495 2.790 25469 6530 1 11 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.624 0.029 25469 6531 1 11 . 1 1 105 105 TYR C C 105 175.319 175.319 176.915 -1.596 25469 6532 1 11 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.579 0.016 25469 6533 1 11 . 1 1 105 105 TYR CB C 105 38.939 38.939 38.901 0.038 25469 6534 1 11 . 1 1 105 105 TYR H H 105 8.126 8.126 7.613 0.513 25469 6535 1 12 . 1 1 3 3 SER HA H 3 4.553 4.553 4.488 0.065 25469 6536 1 12 . 1 1 3 3 SER C C 3 173.408 173.408 174.761 -1.353 25469 6537 1 12 . 1 1 3 3 SER CA C 3 58.273 58.273 57.697 0.576 25469 6538 1 12 . 1 1 3 3 SER CB C 3 63.940 63.940 63.944 -0.004 25469 6539 1 12 . 1 1 4 4 ASN N N 4 120.235 120.235 119.183 1.052 25469 6540 1 12 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.946 0.271 25469 6541 1 12 . 1 1 4 4 ASN C C 4 176.243 176.243 174.457 1.786 25469 6542 1 12 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.090 -0.046 25469 6543 1 12 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.947 -0.214 25469 6544 1 12 . 1 1 4 4 ASN H H 4 8.774 8.774 8.653 0.121 25469 6545 1 12 . 1 1 5 5 VAL N N 5 122.554 122.554 118.906 3.648 25469 6546 1 12 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.170 -0.401 25469 6547 1 12 . 1 1 5 5 VAL C C 5 177.223 177.223 175.541 1.682 25469 6548 1 12 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.513 3.298 25469 6549 1 12 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.878 -2.004 25469 6550 1 12 . 1 1 5 5 VAL H H 5 8.315 8.315 7.551 0.764 25469 6551 1 12 . 1 1 6 6 THR N N 6 118.503 118.503 115.009 3.494 25469 6552 1 12 . 1 1 6 6 THR HA H 6 4.678 4.678 4.559 0.119 25469 6553 1 12 . 1 1 6 6 THR C C 6 174.350 174.350 173.560 0.790 25469 6554 1 12 . 1 1 6 6 THR CA C 6 60.560 60.560 61.727 -1.167 25469 6555 1 12 . 1 1 6 6 THR CB C 6 69.833 69.833 69.712 0.121 25469 6556 1 12 . 1 1 6 6 THR H H 6 9.394 9.394 8.370 1.024 25469 6557 1 12 . 1 1 7 7 ASN N N 7 120.872 120.872 118.017 2.855 25469 6558 1 12 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.504 0.052 25469 6559 1 12 . 1 1 7 7 ASN C C 7 176.866 176.866 175.812 1.054 25469 6560 1 12 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.546 -0.649 25469 6561 1 12 . 1 1 7 7 ASN CB C 7 38.082 38.082 37.580 0.502 25469 6562 1 12 . 1 1 7 7 ASN H H 7 7.976 7.976 8.045 -0.069 25469 6563 1 12 . 1 1 8 8 LYS N N 8 121.728 121.728 120.658 1.070 25469 6564 1 12 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.272 -0.016 25469 6565 1 12 . 1 1 8 8 LYS C C 8 180.142 180.142 176.353 3.789 25469 6566 1 12 . 1 1 8 8 LYS CA C 8 58.200 58.200 57.045 1.155 25469 6567 1 12 . 1 1 8 8 LYS CB C 8 32.292 32.292 33.010 -0.718 25469 6568 1 12 . 1 1 8 8 LYS H H 8 8.572 8.572 8.125 0.447 25469 6569 1 12 . 1 1 9 9 THR N N 9 110.858 110.858 112.081 -1.223 25469 6570 1 12 . 1 1 9 9 THR HA H 9 4.463 4.463 4.444 0.019 25469 6571 1 12 . 1 1 9 9 THR C C 9 174.485 174.485 174.185 0.300 25469 6572 1 12 . 1 1 9 9 THR CA C 9 61.246 61.246 60.872 0.374 25469 6573 1 12 . 1 1 9 9 THR CB C 9 69.039 69.039 68.819 0.220 25469 6574 1 12 . 1 1 9 9 THR H H 9 8.691 8.691 8.550 0.141 25469 6575 1 12 . 1 1 10 10 ASP N N 10 121.014 121.014 124.578 -3.564 25469 6576 1 12 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.787 0.038 25469 6577 1 12 . 1 1 10 10 ASP C C 10 173.946 173.946 175.845 -1.899 25469 6578 1 12 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.605 -1.041 25469 6579 1 12 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.192 -1.591 25469 6580 1 12 . 1 1 10 10 ASP H H 10 7.907 7.907 7.708 0.199 25469 6581 1 12 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.339 -0.184 25469 6582 1 12 . 1 1 11 11 PRO C C 11 178.421 178.421 176.564 1.857 25469 6583 1 12 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.694 1.548 25469 6584 1 12 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.003 0.195 25469 6585 1 12 . 1 1 12 12 ARG N N 12 116.361 116.361 115.841 0.520 25469 6586 1 12 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.472 -0.380 25469 6587 1 12 . 1 1 12 12 ARG C C 12 180.446 180.446 176.807 3.639 25469 6588 1 12 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.597 1.938 25469 6589 1 12 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.224 -1.974 25469 6590 1 12 . 1 1 12 12 ARG H H 12 7.940 7.940 8.196 -0.256 25469 6591 1 12 . 1 1 13 13 SER N N 13 119.379 119.379 115.783 3.596 25469 6592 1 12 . 1 1 13 13 SER HA H 13 4.052 4.052 4.492 -0.440 25469 6593 1 12 . 1 1 13 13 SER C C 13 178.762 178.762 175.924 2.838 25469 6594 1 12 . 1 1 13 13 SER CA C 13 61.529 61.529 60.682 0.847 25469 6595 1 12 . 1 1 13 13 SER CB C 13 61.778 61.778 63.611 -1.833 25469 6596 1 12 . 1 1 13 13 SER H H 13 8.143 8.143 8.217 -0.074 25469 6597 1 12 . 1 1 14 14 MET N N 14 120.327 120.327 114.866 5.461 25469 6598 1 12 . 1 1 14 14 MET HA H 14 4.097 4.097 4.533 -0.436 25469 6599 1 12 . 1 1 14 14 MET C C 14 178.576 178.576 174.988 3.588 25469 6600 1 12 . 1 1 14 14 MET CA C 14 58.293 58.293 56.987 1.306 25469 6601 1 12 . 1 1 14 14 MET CB C 14 31.813 31.813 32.686 -0.873 25469 6602 1 12 . 1 1 14 14 MET H H 14 8.238 8.238 7.517 0.721 25469 6603 1 12 . 1 1 15 15 ASN N N 15 115.378 115.378 116.903 -1.525 25469 6604 1 12 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.928 -0.303 25469 6605 1 12 . 1 1 15 15 ASN C C 15 172.556 172.556 176.919 -4.363 25469 6606 1 12 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.497 -0.468 25469 6607 1 12 . 1 1 15 15 ASN CB C 15 38.650 38.650 41.549 -2.899 25469 6608 1 12 . 1 1 15 15 ASN H H 15 7.968 7.968 7.629 0.339 25469 6609 1 12 . 1 1 16 16 SER N N 16 106.215 106.215 115.642 -9.427 25469 6610 1 12 . 1 1 16 16 SER HA H 16 4.495 4.495 4.514 -0.019 25469 6611 1 12 . 1 1 16 16 SER C C 16 172.121 172.121 174.222 -2.101 25469 6612 1 12 . 1 1 16 16 SER CA C 16 56.785 56.785 59.494 -2.709 25469 6613 1 12 . 1 1 16 16 SER CB C 16 63.428 63.428 63.757 -0.329 25469 6614 1 12 . 1 1 16 16 SER H H 16 7.253 7.253 8.180 -0.927 25469 6615 1 12 . 1 1 17 17 ARG N N 17 123.348 123.348 122.522 0.826 25469 6616 1 12 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.183 0.409 25469 6617 1 12 . 1 1 17 17 ARG C C 17 174.491 174.491 175.113 -0.622 25469 6618 1 12 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.867 -1.488 25469 6619 1 12 . 1 1 17 17 ARG CB C 17 32.909 32.909 32.998 -0.089 25469 6620 1 12 . 1 1 17 17 ARG H H 17 7.405 7.405 7.451 -0.046 25469 6621 1 12 . 1 1 18 18 VAL N N 18 122.328 122.328 123.694 -1.366 25469 6622 1 12 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.564 0.145 25469 6623 1 12 . 1 1 18 18 VAL C C 18 174.863 174.863 174.295 0.568 25469 6624 1 12 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.717 -1.060 25469 6625 1 12 . 1 1 18 18 VAL CB C 18 34.302 34.302 34.702 -0.400 25469 6626 1 12 . 1 1 18 18 VAL H H 18 9.260 9.260 9.064 0.196 25469 6627 1 12 . 1 1 19 19 PHE N N 19 126.010 126.010 128.901 -2.891 25469 6628 1 12 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.415 0.051 25469 6629 1 12 . 1 1 19 19 PHE C C 19 171.967 171.967 173.731 -1.764 25469 6630 1 12 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.362 1.747 25469 6631 1 12 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.360 -0.337 25469 6632 1 12 . 1 1 19 19 PHE H H 19 9.159 9.159 9.329 -0.170 25469 6633 1 12 . 1 1 20 20 ILE N N 20 126.422 126.422 127.600 -1.178 25469 6634 1 12 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.135 -0.274 25469 6635 1 12 . 1 1 20 20 ILE C C 20 173.050 173.050 174.579 -1.529 25469 6636 1 12 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.944 -0.596 25469 6637 1 12 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.011 1.190 25469 6638 1 12 . 1 1 20 20 ILE H H 20 7.716 7.716 8.437 -0.721 25469 6639 1 12 . 1 1 21 21 GLY N N 21 113.182 113.182 111.529 1.653 25469 6640 1 12 . 1 1 21 21 GLY C C 21 173.769 173.769 173.918 -0.149 25469 6641 1 12 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.294 0.567 25469 6642 1 12 . 1 1 21 21 GLY H H 21 8.550 8.550 7.911 0.639 25469 6643 1 12 . 1 1 22 22 ASN N N 22 116.072 116.072 115.762 0.310 25469 6644 1 12 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.334 0.013 25469 6645 1 12 . 1 1 22 22 ASN C C 22 174.205 174.205 173.769 0.436 25469 6646 1 12 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.650 -0.217 25469 6647 1 12 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.640 1.186 25469 6648 1 12 . 1 1 22 22 ASN H H 22 7.291 7.291 8.545 -1.254 25469 6649 1 12 . 1 1 23 23 LEU N N 23 118.873 118.873 118.957 -0.084 25469 6650 1 12 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.688 -0.760 25469 6651 1 12 . 1 1 23 23 LEU C C 23 176.551 176.551 176.182 0.369 25469 6652 1 12 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.389 -0.724 25469 6653 1 12 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.371 -0.022 25469 6654 1 12 . 1 1 23 23 LEU H H 23 7.279 7.279 7.849 -0.570 25469 6655 1 12 . 1 1 24 24 ASN N N 24 124.260 124.260 123.655 0.605 25469 6656 1 12 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.485 0.274 25469 6657 1 12 . 1 1 24 24 ASN C C 24 175.831 175.831 175.731 0.100 25469 6658 1 12 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.424 -3.784 25469 6659 1 12 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.547 -2.992 25469 6660 1 12 . 1 1 24 24 ASN H H 24 9.075 9.075 8.813 0.262 25469 6661 1 12 . 1 1 25 25 THR N N 25 118.101 118.101 106.980 11.121 25469 6662 1 12 . 1 1 25 25 THR HA H 25 4.377 4.377 4.152 0.225 25469 6663 1 12 . 1 1 25 25 THR C C 25 175.286 175.286 174.495 0.791 25469 6664 1 12 . 1 1 25 25 THR CA C 25 63.324 63.324 63.807 -0.483 25469 6665 1 12 . 1 1 25 25 THR CB C 25 67.439 67.439 67.183 0.257 25469 6666 1 12 . 1 1 25 25 THR H H 25 8.226 8.226 8.088 0.138 25469 6667 1 12 . 1 1 26 26 LEU N N 26 121.285 121.285 118.562 2.723 25469 6668 1 12 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.417 -0.106 25469 6669 1 12 . 1 1 26 26 LEU C C 26 178.244 178.244 177.623 0.621 25469 6670 1 12 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.961 0.353 25469 6671 1 12 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.151 -0.823 25469 6672 1 12 . 1 1 26 26 LEU H H 26 7.670 7.670 7.874 -0.204 25469 6673 1 12 . 1 1 27 27 VAL N N 27 114.562 114.562 115.804 -1.242 25469 6674 1 12 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.137 -0.090 25469 6675 1 12 . 1 1 27 27 VAL C C 27 175.200 175.200 175.609 -0.409 25469 6676 1 12 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.680 0.351 25469 6677 1 12 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.278 1.904 25469 6678 1 12 . 1 1 27 27 VAL H H 27 6.790 6.790 7.549 -0.759 25469 6679 1 12 . 1 1 28 28 VAL N N 28 121.996 121.996 121.727 0.269 25469 6680 1 12 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.225 -0.366 25469 6681 1 12 . 1 1 28 28 VAL C C 28 174.352 174.352 174.511 -0.159 25469 6682 1 12 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.174 2.018 25469 6683 1 12 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.184 -1.243 25469 6684 1 12 . 1 1 28 28 VAL H H 28 8.276 8.276 7.615 0.661 25469 6685 1 12 . 1 1 29 29 LYS N N 29 124.228 124.228 126.178 -1.950 25469 6686 1 12 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.745 -0.143 25469 6687 1 12 . 1 1 29 29 LYS C C 29 177.959 177.959 176.677 1.282 25469 6688 1 12 . 1 1 29 29 LYS CA C 29 53.646 53.646 53.769 -0.123 25469 6689 1 12 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.456 -1.061 25469 6690 1 12 . 1 1 29 29 LYS H H 29 8.925 8.925 8.132 0.793 25469 6691 1 12 . 1 1 30 30 LYS N N 30 123.350 123.350 119.917 3.433 25469 6692 1 12 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.112 -0.458 25469 6693 1 12 . 1 1 30 30 LYS C C 30 177.639 177.639 177.210 0.429 25469 6694 1 12 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.486 2.914 25469 6695 1 12 . 1 1 30 30 LYS CB C 30 32.649 32.649 32.081 0.568 25469 6696 1 12 . 1 1 30 30 LYS H H 30 8.993 8.993 8.654 0.339 25469 6697 1 12 . 1 1 31 31 SER N N 31 111.465 111.465 113.684 -2.219 25469 6698 1 12 . 1 1 31 31 SER HA H 31 4.167 4.167 4.679 -0.512 25469 6699 1 12 . 1 1 31 31 SER C C 31 177.617 177.617 174.207 3.410 25469 6700 1 12 . 1 1 31 31 SER CA C 31 61.389 61.389 58.528 2.861 25469 6701 1 12 . 1 1 31 31 SER CB C 31 61.533 61.533 63.517 -1.984 25469 6702 1 12 . 1 1 31 31 SER H H 31 8.669 8.669 8.095 0.574 25469 6703 1 12 . 1 1 32 32 ASP N N 32 122.187 122.187 121.774 0.413 25469 6704 1 12 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.809 -0.289 25469 6705 1 12 . 1 1 32 32 ASP C C 32 178.194 178.194 178.268 -0.074 25469 6706 1 12 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.916 1.272 25469 6707 1 12 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.533 -0.686 25469 6708 1 12 . 1 1 32 32 ASP H H 32 7.141 7.141 8.007 -0.866 25469 6709 1 12 . 1 1 33 33 VAL N N 33 120.138 120.138 120.206 -0.068 25469 6710 1 12 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.932 -0.471 25469 6711 1 12 . 1 1 33 33 VAL C C 33 178.624 178.624 176.546 2.078 25469 6712 1 12 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.845 0.529 25469 6713 1 12 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.714 -0.429 25469 6714 1 12 . 1 1 33 33 VAL H H 33 7.956 7.956 8.248 -0.292 25469 6715 1 12 . 1 1 34 34 GLU N N 34 118.717 118.717 116.146 2.571 25469 6716 1 12 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.216 -0.462 25469 6717 1 12 . 1 1 34 34 GLU C C 34 178.701 178.701 175.793 2.908 25469 6718 1 12 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.428 3.077 25469 6719 1 12 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.670 0.674 25469 6720 1 12 . 1 1 34 34 GLU H H 34 8.637 8.637 8.704 -0.067 25469 6721 1 12 . 1 1 35 35 ALA N N 35 121.541 121.541 120.028 1.513 25469 6722 1 12 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.570 -0.421 25469 6723 1 12 . 1 1 35 35 ALA C C 35 180.483 180.483 177.285 3.198 25469 6724 1 12 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.680 2.836 25469 6725 1 12 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.327 -2.279 25469 6726 1 12 . 1 1 35 35 ALA H H 35 7.823 7.823 7.911 -0.088 25469 6727 1 12 . 1 1 36 36 ILE N N 36 117.449 117.449 117.213 0.236 25469 6728 1 12 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.042 -0.379 25469 6729 1 12 . 1 1 36 36 ILE C C 36 178.665 178.665 175.880 2.785 25469 6730 1 12 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.833 1.978 25469 6731 1 12 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.579 0.211 25469 6732 1 12 . 1 1 36 36 ILE H H 36 7.773 7.773 7.537 0.236 25469 6733 1 12 . 1 1 37 37 PHE N N 37 113.524 113.524 117.206 -3.682 25469 6734 1 12 . 1 1 37 37 PHE HA H 37 4.358 4.358 5.000 -0.642 25469 6735 1 12 . 1 1 37 37 PHE C C 37 179.593 179.593 177.445 2.148 25469 6736 1 12 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.415 3.265 25469 6737 1 12 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.503 -3.293 25469 6738 1 12 . 1 1 37 37 PHE H H 37 8.566 8.566 8.343 0.223 25469 6739 1 12 . 1 1 38 38 SER N N 38 122.025 122.025 114.959 7.066 25469 6740 1 12 . 1 1 38 38 SER HA H 38 4.821 4.821 4.692 0.129 25469 6741 1 12 . 1 1 38 38 SER C C 38 175.439 175.439 175.474 -0.035 25469 6742 1 12 . 1 1 38 38 SER CA C 38 61.519 61.519 60.160 1.359 25469 6743 1 12 . 1 1 38 38 SER CB C 38 62.765 62.765 63.543 -0.778 25469 6744 1 12 . 1 1 38 38 SER H H 38 8.834 8.834 8.532 0.302 25469 6745 1 12 . 1 1 39 39 LYS N N 39 119.387 119.387 118.879 0.508 25469 6746 1 12 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.077 -0.116 25469 6747 1 12 . 1 1 39 39 LYS C C 39 177.064 177.064 176.188 0.876 25469 6748 1 12 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.328 0.951 25469 6749 1 12 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.413 0.173 25469 6750 1 12 . 1 1 39 39 LYS H H 39 7.054 7.054 7.943 -0.889 25469 6751 1 12 . 1 1 40 40 TYR N N 40 114.433 114.433 118.580 -4.147 25469 6752 1 12 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.598 -0.321 25469 6753 1 12 . 1 1 40 40 TYR C C 40 174.842 174.842 174.981 -0.139 25469 6754 1 12 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.912 0.938 25469 6755 1 12 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.024 -1.597 25469 6756 1 12 . 1 1 40 40 TYR H H 40 6.956 6.956 7.410 -0.454 25469 6757 1 12 . 1 1 41 41 GLY N N 41 106.514 106.514 104.823 1.691 25469 6758 1 12 . 1 1 41 41 GLY C C 41 170.573 170.573 171.807 -1.234 25469 6759 1 12 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.927 -0.371 25469 6760 1 12 . 1 1 41 41 GLY H H 41 7.428 7.428 7.353 0.075 25469 6761 1 12 . 1 1 42 42 LYS N N 42 117.788 117.788 121.523 -3.735 25469 6762 1 12 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.409 -0.212 25469 6763 1 12 . 1 1 42 42 LYS C C 42 176.536 176.536 175.946 0.590 25469 6764 1 12 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.550 0.586 25469 6765 1 12 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.966 0.001 25469 6766 1 12 . 1 1 42 42 LYS H H 42 8.034 8.034 8.472 -0.438 25469 6767 1 12 . 1 1 43 43 ILE N N 43 127.104 127.104 127.394 -0.290 25469 6768 1 12 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.460 -0.436 25469 6769 1 12 . 1 1 43 43 ILE C C 43 176.993 176.993 176.446 0.547 25469 6770 1 12 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.718 -0.337 25469 6771 1 12 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.677 0.236 25469 6772 1 12 . 1 1 43 43 ILE H H 43 8.711 8.711 8.639 0.072 25469 6773 1 12 . 1 1 44 44 VAL N N 44 121.993 121.993 120.733 1.260 25469 6774 1 12 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.470 -0.106 25469 6775 1 12 . 1 1 44 44 VAL C C 44 176.853 176.853 175.065 1.788 25469 6776 1 12 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.112 0.746 25469 6777 1 12 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.004 -0.452 25469 6778 1 12 . 1 1 44 44 VAL H H 44 8.711 8.711 8.769 -0.058 25469 6779 1 12 . 1 1 45 45 GLY N N 45 109.507 109.507 107.095 2.412 25469 6780 1 12 . 1 1 45 45 GLY C C 45 171.266 171.266 171.736 -0.470 25469 6781 1 12 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.620 -0.611 25469 6782 1 12 . 1 1 45 45 GLY H H 45 7.530 7.530 7.400 0.130 25469 6783 1 12 . 1 1 46 46 CYS N N 46 124.546 124.546 121.869 2.677 25469 6784 1 12 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.505 -0.474 25469 6785 1 12 . 1 1 46 46 CYS C C 46 172.073 172.073 172.447 -0.374 25469 6786 1 12 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.979 0.984 25469 6787 1 12 . 1 1 46 46 CYS CB C 46 28.342 28.342 30.598 -2.256 25469 6788 1 12 . 1 1 46 46 CYS H H 46 8.982 8.982 9.230 -0.248 25469 6789 1 12 . 1 1 47 47 SER N N 47 122.933 122.933 120.261 2.672 25469 6790 1 12 . 1 1 47 47 SER HA H 47 4.908 4.908 4.863 0.045 25469 6791 1 12 . 1 1 47 47 SER C C 47 171.849 171.849 172.252 -0.403 25469 6792 1 12 . 1 1 47 47 SER CA C 47 56.585 56.585 57.519 -0.934 25469 6793 1 12 . 1 1 47 47 SER CB C 47 65.733 65.733 66.022 -0.289 25469 6794 1 12 . 1 1 47 47 SER H H 47 8.569 8.569 9.075 -0.506 25469 6795 1 12 . 1 1 48 48 VAL N N 48 121.588 121.588 123.050 -1.462 25469 6796 1 12 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.299 -0.161 25469 6797 1 12 . 1 1 48 48 VAL C C 48 173.991 173.991 174.902 -0.911 25469 6798 1 12 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.918 1.392 25469 6799 1 12 . 1 1 48 48 VAL CB C 48 33.924 33.924 35.058 -1.134 25469 6800 1 12 . 1 1 48 48 VAL H H 48 8.565 8.565 8.441 0.124 25469 6801 1 12 . 1 1 49 49 HIS N N 49 130.308 130.308 124.238 6.070 25469 6802 1 12 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.728 -0.296 25469 6803 1 12 . 1 1 49 49 HIS C C 49 173.950 173.950 173.669 0.281 25469 6804 1 12 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.045 0.606 25469 6805 1 12 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.733 -1.180 25469 6806 1 12 . 1 1 49 49 HIS H H 49 8.441 8.441 8.812 -0.371 25469 6807 1 12 . 1 1 50 50 LYS N N 50 121.937 121.937 120.137 1.800 25469 6808 1 12 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.062 0.398 25469 6809 1 12 . 1 1 50 50 LYS C C 50 175.528 175.528 177.319 -1.791 25469 6810 1 12 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.092 0.197 25469 6811 1 12 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.327 -0.849 25469 6812 1 12 . 1 1 50 50 LYS H H 50 7.926 7.926 8.092 -0.166 25469 6813 1 12 . 1 1 51 51 GLY N N 51 114.868 114.868 112.444 2.424 25469 6814 1 12 . 1 1 51 51 GLY C C 51 174.253 174.253 172.991 1.262 25469 6815 1 12 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.122 -0.602 25469 6816 1 12 . 1 1 51 51 GLY H H 51 8.644 8.644 8.605 0.039 25469 6817 1 12 . 1 1 52 52 PHE N N 52 112.790 112.790 115.052 -2.262 25469 6818 1 12 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.595 -0.347 25469 6819 1 12 . 1 1 52 52 PHE C C 52 171.606 171.606 172.893 -1.287 25469 6820 1 12 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.246 0.984 25469 6821 1 12 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.526 -0.481 25469 6822 1 12 . 1 1 52 52 PHE H H 52 7.005 7.005 7.154 -0.149 25469 6823 1 12 . 1 1 53 53 ALA N N 53 119.858 119.858 119.448 0.410 25469 6824 1 12 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.911 -0.076 25469 6825 1 12 . 1 1 53 53 ALA C C 53 173.030 173.030 174.628 -1.598 25469 6826 1 12 . 1 1 53 53 ALA CA C 53 50.346 50.346 50.970 -0.624 25469 6827 1 12 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.525 2.208 25469 6828 1 12 . 1 1 53 53 ALA H H 53 8.724 8.724 8.467 0.257 25469 6829 1 12 . 1 1 54 54 PHE N N 54 112.158 112.158 116.388 -4.230 25469 6830 1 12 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.680 -0.100 25469 6831 1 12 . 1 1 54 54 PHE C C 54 175.765 175.765 174.157 1.608 25469 6832 1 12 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.014 -0.410 25469 6833 1 12 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.447 -0.153 25469 6834 1 12 . 1 1 54 54 PHE H H 54 8.764 8.764 9.118 -0.354 25469 6835 1 12 . 1 1 55 55 VAL N N 55 118.628 118.628 121.231 -2.603 25469 6836 1 12 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.529 -0.317 25469 6837 1 12 . 1 1 55 55 VAL C C 55 172.807 172.807 173.696 -0.889 25469 6838 1 12 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.047 0.830 25469 6839 1 12 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.770 -0.817 25469 6840 1 12 . 1 1 55 55 VAL H H 55 8.310 8.310 8.994 -0.684 25469 6841 1 12 . 1 1 56 56 GLN N N 56 128.402 128.402 124.596 3.806 25469 6842 1 12 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.719 -0.154 25469 6843 1 12 . 1 1 56 56 GLN C C 56 173.894 173.894 174.161 -0.267 25469 6844 1 12 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.831 0.382 25469 6845 1 12 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.799 0.307 25469 6846 1 12 . 1 1 56 56 GLN H H 56 9.253 9.253 8.880 0.373 25469 6847 1 12 . 1 1 57 57 TYR N N 57 127.617 127.617 124.235 3.382 25469 6848 1 12 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.371 -0.090 25469 6849 1 12 . 1 1 57 57 TYR C C 57 175.610 175.610 177.048 -1.438 25469 6850 1 12 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.116 2.575 25469 6851 1 12 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.232 -1.163 25469 6852 1 12 . 1 1 57 57 TYR H H 57 8.919 8.919 8.899 0.020 25469 6853 1 12 . 1 1 58 58 VAL N N 58 116.705 116.705 119.164 -2.459 25469 6854 1 12 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.882 0.231 25469 6855 1 12 . 1 1 58 58 VAL C C 58 175.860 175.860 175.900 -0.040 25469 6856 1 12 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.537 -0.508 25469 6857 1 12 . 1 1 58 58 VAL CB C 58 33.049 33.049 31.769 1.280 25469 6858 1 12 . 1 1 58 58 VAL H H 58 9.458 9.458 8.876 0.582 25469 6859 1 12 . 1 1 59 59 ASN N N 59 112.563 112.563 113.462 -0.899 25469 6860 1 12 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.861 0.289 25469 6861 1 12 . 1 1 59 59 ASN C C 59 174.483 174.483 174.464 0.019 25469 6862 1 12 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.333 -0.381 25469 6863 1 12 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.085 2.092 25469 6864 1 12 . 1 1 59 59 ASN H H 59 7.230 7.230 7.416 -0.186 25469 6865 1 12 . 1 1 60 60 GLU N N 60 124.320 124.320 119.593 4.727 25469 6866 1 12 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.165 0.150 25469 6867 1 12 . 1 1 60 60 GLU C C 60 178.202 178.202 177.874 0.328 25469 6868 1 12 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.541 -0.760 25469 6869 1 12 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.743 0.635 25469 6870 1 12 . 1 1 60 60 GLU H H 60 8.807 8.807 8.907 -0.100 25469 6871 1 12 . 1 1 61 61 ARG N N 61 118.347 118.347 119.114 -0.767 25469 6872 1 12 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.028 -0.038 25469 6873 1 12 . 1 1 61 61 ARG C C 61 179.341 179.341 178.546 0.795 25469 6874 1 12 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.611 0.856 25469 6875 1 12 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.749 -0.348 25469 6876 1 12 . 1 1 61 61 ARG H H 61 8.620 8.620 8.300 0.320 25469 6877 1 12 . 1 1 62 62 ASN N N 62 118.085 118.085 117.141 0.944 25469 6878 1 12 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.309 -0.032 25469 6879 1 12 . 1 1 62 62 ASN C C 62 174.852 174.852 176.499 -1.647 25469 6880 1 12 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.209 0.256 25469 6881 1 12 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.173 0.834 25469 6882 1 12 . 1 1 62 62 ASN H H 62 7.781 7.781 7.936 -0.155 25469 6883 1 12 . 1 1 63 63 ALA N N 63 119.580 119.580 122.464 -2.884 25469 6884 1 12 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.421 -0.673 25469 6885 1 12 . 1 1 63 63 ALA C C 63 178.862 178.862 179.346 -0.484 25469 6886 1 12 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.623 0.338 25469 6887 1 12 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.780 -0.239 25469 6888 1 12 . 1 1 63 63 ALA H H 63 6.775 6.775 7.211 -0.436 25469 6889 1 12 . 1 1 64 64 ARG N N 64 114.991 114.991 117.561 -2.570 25469 6890 1 12 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.087 -0.247 25469 6891 1 12 . 1 1 64 64 ARG C C 64 179.776 179.776 178.528 1.248 25469 6892 1 12 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.005 2.177 25469 6893 1 12 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.811 -0.564 25469 6894 1 12 . 1 1 64 64 ARG H H 64 8.737 8.737 8.633 0.104 25469 6895 1 12 . 1 1 65 65 ALA N N 65 123.698 123.698 121.296 2.402 25469 6896 1 12 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.275 -0.148 25469 6897 1 12 . 1 1 65 65 ALA C C 65 179.561 179.561 178.498 1.063 25469 6898 1 12 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.491 0.457 25469 6899 1 12 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.329 -0.438 25469 6900 1 12 . 1 1 65 65 ALA H H 65 7.820 7.820 7.559 0.261 25469 6901 1 12 . 1 1 66 66 ALA N N 66 123.811 123.811 120.257 3.554 25469 6902 1 12 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.698 -1.631 25469 6903 1 12 . 1 1 66 66 ALA C C 66 179.260 179.260 179.426 -0.166 25469 6904 1 12 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.486 -0.177 25469 6905 1 12 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.033 0.275 25469 6906 1 12 . 1 1 66 66 ALA H H 66 7.538 7.538 7.367 0.171 25469 6907 1 12 . 1 1 67 67 VAL N N 67 116.571 116.571 118.484 -1.913 25469 6908 1 12 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.675 -0.320 25469 6909 1 12 . 1 1 67 67 VAL C C 67 177.744 177.744 177.590 0.154 25469 6910 1 12 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.873 -0.343 25469 6911 1 12 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.672 0.295 25469 6912 1 12 . 1 1 67 67 VAL H H 67 7.612 7.612 8.308 -0.696 25469 6913 1 12 . 1 1 68 68 ALA N N 68 118.239 118.239 120.138 -1.899 25469 6914 1 12 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.278 -0.157 25469 6915 1 12 . 1 1 68 68 ALA C C 68 180.749 180.749 178.200 2.549 25469 6916 1 12 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.550 0.802 25469 6917 1 12 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.659 -0.562 25469 6918 1 12 . 1 1 68 68 ALA H H 68 7.549 7.549 7.559 -0.010 25469 6919 1 12 . 1 1 69 69 GLY N N 69 103.748 103.748 105.107 -1.359 25469 6920 1 12 . 1 1 69 69 GLY C C 69 175.627 175.627 174.919 0.708 25469 6921 1 12 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.031 1.055 25469 6922 1 12 . 1 1 69 69 GLY H H 69 8.135 8.135 7.311 0.824 25469 6923 1 12 . 1 1 70 70 GLU N N 70 114.571 114.571 116.306 -1.735 25469 6924 1 12 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.369 0.263 25469 6925 1 12 . 1 1 70 70 GLU C C 70 176.392 176.392 175.045 1.347 25469 6926 1 12 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.894 -0.696 25469 6927 1 12 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.949 -0.577 25469 6928 1 12 . 1 1 70 70 GLU H H 70 7.653 7.653 7.593 0.060 25469 6929 1 12 . 1 1 71 71 ASP N N 71 118.127 118.127 121.196 -3.069 25469 6930 1 12 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.356 -0.071 25469 6931 1 12 . 1 1 71 71 ASP C C 71 178.699 178.699 177.069 1.630 25469 6932 1 12 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.046 1.496 25469 6933 1 12 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.273 1.097 25469 6934 1 12 . 1 1 71 71 ASP H H 71 8.026 8.026 7.569 0.457 25469 6935 1 12 . 1 1 72 72 GLY N N 72 114.353 114.353 113.796 0.557 25469 6936 1 12 . 1 1 72 72 GLY C C 72 173.792 173.792 174.369 -0.577 25469 6937 1 12 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.158 0.601 25469 6938 1 12 . 1 1 72 72 GLY H H 72 8.292 8.292 8.173 0.119 25469 6939 1 12 . 1 1 73 73 ARG N N 73 121.996 121.996 118.733 3.263 25469 6940 1 12 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.434 -0.248 25469 6941 1 12 . 1 1 73 73 ARG C C 73 175.188 175.188 174.767 0.421 25469 6942 1 12 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.886 1.590 25469 6943 1 12 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.219 0.100 25469 6944 1 12 . 1 1 73 73 ARG H H 73 7.981 7.981 7.900 0.081 25469 6945 1 12 . 1 1 74 74 MET N N 74 125.120 125.120 120.621 4.499 25469 6946 1 12 . 1 1 74 74 MET HA H 74 4.795 4.795 4.652 0.143 25469 6947 1 12 . 1 1 74 74 MET C C 74 175.727 175.727 174.835 0.892 25469 6948 1 12 . 1 1 74 74 MET CA C 74 55.054 55.054 54.615 0.439 25469 6949 1 12 . 1 1 74 74 MET CB C 74 33.076 33.076 34.300 -1.224 25469 6950 1 12 . 1 1 74 74 MET H H 74 8.710 8.710 8.309 0.401 25469 6951 1 12 . 1 1 75 75 ILE N N 75 127.530 127.530 125.866 1.664 25469 6952 1 12 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.423 -0.036 25469 6953 1 12 . 1 1 75 75 ILE C C 75 175.277 175.277 175.637 -0.360 25469 6954 1 12 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.535 -0.804 25469 6955 1 12 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.291 -0.884 25469 6956 1 12 . 1 1 75 75 ILE H H 75 8.583 8.583 8.749 -0.166 25469 6957 1 12 . 1 1 76 76 ALA N N 76 132.166 132.166 130.225 1.941 25469 6958 1 12 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 6959 1 12 . 1 1 76 76 ALA C C 76 177.206 177.206 177.694 -0.488 25469 6960 1 12 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.253 -0.381 25469 6961 1 12 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.342 -0.094 25469 6962 1 12 . 1 1 76 76 ALA H H 76 9.540 9.540 9.052 0.488 25469 6963 1 12 . 1 1 77 77 GLY N N 77 101.685 101.685 102.780 -1.095 25469 6964 1 12 . 1 1 77 77 GLY C C 77 174.206 174.206 173.887 0.319 25469 6965 1 12 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.870 0.897 25469 6966 1 12 . 1 1 77 77 GLY H H 77 8.446 8.446 8.337 0.109 25469 6967 1 12 . 1 1 78 78 GLN N N 78 118.947 118.947 120.251 -1.304 25469 6968 1 12 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.656 0.075 25469 6969 1 12 . 1 1 78 78 GLN C C 78 174.047 174.047 174.835 -0.788 25469 6970 1 12 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.431 -0.170 25469 6971 1 12 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.588 0.516 25469 6972 1 12 . 1 1 78 78 GLN H H 78 7.708 7.708 8.122 -0.414 25469 6973 1 12 . 1 1 79 79 VAL N N 79 123.383 123.383 127.039 -3.656 25469 6974 1 12 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.477 -0.463 25469 6975 1 12 . 1 1 79 79 VAL C C 79 176.348 176.348 176.332 0.016 25469 6976 1 12 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.641 -0.973 25469 6977 1 12 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.282 -0.153 25469 6978 1 12 . 1 1 79 79 VAL H H 79 8.570 8.570 8.539 0.031 25469 6979 1 12 . 1 1 80 80 LEU N N 80 128.544 128.544 126.525 2.019 25469 6980 1 12 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.754 -0.446 25469 6981 1 12 . 1 1 80 80 LEU C C 80 176.522 176.522 176.370 0.152 25469 6982 1 12 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.248 2.653 25469 6983 1 12 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.963 -1.064 25469 6984 1 12 . 1 1 80 80 LEU H H 80 9.002 9.002 8.475 0.527 25469 6985 1 12 . 1 1 81 81 ASP N N 81 124.135 124.135 122.287 1.848 25469 6986 1 12 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.283 -0.062 25469 6987 1 12 . 1 1 81 81 ASP C C 81 174.660 174.660 174.630 0.030 25469 6988 1 12 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.905 -0.918 25469 6989 1 12 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.659 0.108 25469 6990 1 12 . 1 1 81 81 ASP H H 81 7.718 7.718 8.195 -0.477 25469 6991 1 12 . 1 1 82 82 ILE N N 82 123.344 123.344 124.293 -0.949 25469 6992 1 12 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.890 0.507 25469 6993 1 12 . 1 1 82 82 ILE C C 82 174.521 174.521 174.396 0.125 25469 6994 1 12 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.934 -0.800 25469 6995 1 12 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.304 -0.337 25469 6996 1 12 . 1 1 82 82 ILE H H 82 9.071 9.071 9.232 -0.161 25469 6997 1 12 . 1 1 83 83 ASN N N 83 116.447 116.447 121.429 -4.982 25469 6998 1 12 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.975 -0.133 25469 6999 1 12 . 1 1 83 83 ASN C C 83 174.566 174.566 173.431 1.135 25469 7000 1 12 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.434 1.694 25469 7001 1 12 . 1 1 83 83 ASN CB C 83 43.074 43.074 40.978 2.096 25469 7002 1 12 . 1 1 83 83 ASN H H 83 8.494 8.494 8.790 -0.296 25469 7003 1 12 . 1 1 84 84 LEU N N 84 123.786 123.786 119.847 3.939 25469 7004 1 12 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.531 0.189 25469 7005 1 12 . 1 1 84 84 LEU C C 84 180.969 180.969 178.893 2.076 25469 7006 1 12 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.008 0.349 25469 7007 1 12 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.548 -1.229 25469 7008 1 12 . 1 1 84 84 LEU H H 84 9.414 9.414 8.942 0.472 25469 7009 1 12 . 1 1 85 85 ALA N N 85 127.577 127.577 124.556 3.021 25469 7010 1 12 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.305 -0.257 25469 7011 1 12 . 1 1 85 85 ALA C C 85 177.932 177.932 176.803 1.129 25469 7012 1 12 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.180 2.169 25469 7013 1 12 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.815 -0.828 25469 7014 1 12 . 1 1 85 85 ALA H H 85 9.279 9.279 8.317 0.962 25469 7015 1 12 . 1 1 86 86 ALA N N 86 116.071 116.071 117.293 -1.222 25469 7016 1 12 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.414 -0.003 25469 7017 1 12 . 1 1 86 86 ALA C C 86 176.153 176.153 176.492 -0.339 25469 7018 1 12 . 1 1 86 86 ALA CA C 86 51.729 51.729 51.967 -0.238 25469 7019 1 12 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.432 -0.122 25469 7020 1 12 . 1 1 86 86 ALA H H 86 8.687 8.687 8.104 0.583 25469 7021 1 12 . 1 1 87 87 GLU N N 87 118.959 118.959 119.489 -0.530 25469 7022 1 12 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.587 0.149 25469 7023 1 12 . 1 1 87 87 GLU C C 87 171.677 171.677 174.543 -2.866 25469 7024 1 12 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.408 -0.236 25469 7025 1 12 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.271 -0.298 25469 7026 1 12 . 1 1 87 87 GLU H H 87 7.901 7.901 7.923 -0.022 25469 7027 1 12 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.576 -0.233 25469 7028 1 12 . 1 1 88 88 PRO C C 88 177.303 177.303 177.159 0.144 25469 7029 1 12 . 1 1 88 88 PRO CA C 88 62.918 62.918 62.623 0.295 25469 7030 1 12 . 1 1 88 88 PRO CB C 88 31.898 31.898 30.135 1.763 25469 7031 1 12 . 1 1 89 89 LYS N N 89 121.298 121.298 120.024 1.274 25469 7032 1 12 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.015 0.212 25469 7033 1 12 . 1 1 89 89 LYS C C 89 177.690 177.690 176.861 0.829 25469 7034 1 12 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.901 -2.099 25469 7035 1 12 . 1 1 89 89 LYS CB C 89 33.504 33.504 31.835 1.669 25469 7036 1 12 . 1 1 89 89 LYS H H 89 7.973 7.973 8.297 -0.324 25469 7037 1 12 . 1 1 90 90 VAL N N 90 120.788 120.788 113.959 6.829 25469 7038 1 12 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.119 -0.190 25469 7039 1 12 . 1 1 90 90 VAL C C 90 176.170 176.170 176.501 -0.331 25469 7040 1 12 . 1 1 90 90 VAL CA C 90 63.217 63.217 63.288 -0.071 25469 7041 1 12 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.886 -1.540 25469 7042 1 12 . 1 1 90 90 VAL H H 90 8.216 8.216 8.104 0.112 25469 7043 1 12 . 1 1 91 91 ASN N N 91 119.438 119.438 117.501 1.937 25469 7044 1 12 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.603 0.056 25469 7045 1 12 . 1 1 91 91 ASN C C 91 175.173 175.173 175.819 -0.646 25469 7046 1 12 . 1 1 91 91 ASN CA C 91 53.037 53.037 54.329 -1.292 25469 7047 1 12 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.247 -0.080 25469 7048 1 12 . 1 1 91 91 ASN H H 91 8.451 8.451 8.651 -0.200 25469 7049 1 12 . 1 1 92 92 ARG N N 92 120.958 120.958 120.068 0.890 25469 7050 1 12 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.320 -0.083 25469 7051 1 12 . 1 1 92 92 ARG C C 92 177.002 177.002 177.150 -0.148 25469 7052 1 12 . 1 1 92 92 ARG CA C 92 56.644 56.644 57.031 -0.387 25469 7053 1 12 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.244 0.282 25469 7054 1 12 . 1 1 92 92 ARG H H 92 7.978 7.978 7.770 0.208 25469 7055 1 12 . 1 1 93 93 GLY N N 93 110.275 110.275 107.798 2.477 25469 7056 1 12 . 1 1 93 93 GLY C C 93 174.246 174.246 174.672 -0.426 25469 7057 1 12 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.750 -0.366 25469 7058 1 12 . 1 1 93 93 GLY H H 93 8.604 8.604 7.540 1.064 25469 7059 1 12 . 1 1 94 94 LYS N N 94 120.750 120.750 119.627 1.123 25469 7060 1 12 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.392 -0.095 25469 7061 1 12 . 1 1 94 94 LYS C C 94 176.525 176.525 175.319 1.206 25469 7062 1 12 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.632 -0.588 25469 7063 1 12 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.617 -0.592 25469 7064 1 12 . 1 1 94 94 LYS H H 94 8.113 8.113 8.555 -0.442 25469 7065 1 12 . 1 1 95 95 ALA N N 95 124.912 124.912 121.221 3.691 25469 7066 1 12 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.762 -0.463 25469 7067 1 12 . 1 1 95 95 ALA C C 95 178.325 178.325 177.380 0.945 25469 7068 1 12 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.711 1.041 25469 7069 1 12 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.691 -1.551 25469 7070 1 12 . 1 1 95 95 ALA H H 95 8.367 8.367 7.572 0.795 25469 7071 1 12 . 1 1 96 96 GLY N N 96 108.328 108.328 106.160 2.168 25469 7072 1 12 . 1 1 96 96 GLY C C 96 174.096 174.096 174.567 -0.471 25469 7073 1 12 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.693 -0.452 25469 7074 1 12 . 1 1 96 96 GLY H H 96 8.390 8.390 8.304 0.086 25469 7075 1 12 . 1 1 97 97 VAL N N 97 119.774 119.774 119.702 0.072 25469 7076 1 12 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.267 -0.190 25469 7077 1 12 . 1 1 97 97 VAL C C 97 176.156 176.156 175.076 1.080 25469 7078 1 12 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.584 0.715 25469 7079 1 12 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.866 -0.012 25469 7080 1 12 . 1 1 97 97 VAL H H 97 7.925 7.925 7.484 0.441 25469 7081 1 12 . 1 1 98 98 LYS N N 98 126.024 126.024 126.111 -0.087 25469 7082 1 12 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.509 -0.183 25469 7083 1 12 . 1 1 98 98 LYS C C 98 176.427 176.427 176.118 0.309 25469 7084 1 12 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.945 0.156 25469 7085 1 12 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.466 -0.405 25469 7086 1 12 . 1 1 98 98 LYS H H 98 8.473 8.473 8.472 0.001 25469 7087 1 12 . 1 1 99 99 ARG N N 99 123.644 123.644 119.970 3.674 25469 7088 1 12 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.456 -0.077 25469 7089 1 12 . 1 1 99 99 ARG C C 99 176.231 176.231 176.916 -0.685 25469 7090 1 12 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.517 0.416 25469 7091 1 12 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.170 0.097 25469 7092 1 12 . 1 1 99 99 ARG H H 99 8.464 8.464 7.638 0.826 25469 7093 1 12 . 1 1 100 100 SER N N 100 117.863 117.863 117.907 -0.044 25469 7094 1 12 . 1 1 100 100 SER HA H 100 4.449 4.449 4.329 0.120 25469 7095 1 12 . 1 1 100 100 SER C C 100 174.556 174.556 174.772 -0.216 25469 7096 1 12 . 1 1 100 100 SER CA C 100 57.985 57.985 59.280 -1.295 25469 7097 1 12 . 1 1 100 100 SER CB C 100 64.167 64.167 63.327 0.841 25469 7098 1 12 . 1 1 100 100 SER H H 100 8.516 8.516 8.563 -0.047 25469 7099 1 12 . 1 1 101 101 ALA N N 101 126.048 126.048 122.573 3.475 25469 7100 1 12 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.079 0.178 25469 7101 1 12 . 1 1 101 101 ALA C C 101 178.047 178.047 177.632 0.415 25469 7102 1 12 . 1 1 101 101 ALA CA C 101 53.348 53.348 54.116 -0.768 25469 7103 1 12 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.434 1.511 25469 7104 1 12 . 1 1 101 101 ALA H H 101 8.538 8.538 8.227 0.311 25469 7105 1 12 . 1 1 102 102 ALA N N 102 121.566 121.566 119.530 2.036 25469 7106 1 12 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.629 -0.404 25469 7107 1 12 . 1 1 102 102 ALA C C 102 178.254 178.254 178.074 0.180 25469 7108 1 12 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.146 0.899 25469 7109 1 12 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.517 -0.474 25469 7110 1 12 . 1 1 102 102 ALA H H 102 8.212 8.212 8.135 0.077 25469 7111 1 12 . 1 1 103 103 GLU N N 103 118.735 118.735 119.043 -0.308 25469 7112 1 12 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.203 -0.002 25469 7113 1 12 . 1 1 103 103 GLU C C 103 176.516 176.516 176.942 -0.426 25469 7114 1 12 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.880 -1.224 25469 7115 1 12 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.147 1.080 25469 7116 1 12 . 1 1 103 103 GLU H H 103 8.071 8.071 8.900 -0.829 25469 7117 1 12 . 1 1 104 104 MET N N 104 120.106 120.106 116.535 3.571 25469 7118 1 12 . 1 1 104 104 MET HA H 104 4.326 4.326 4.377 -0.051 25469 7119 1 12 . 1 1 104 104 MET C C 104 175.862 175.862 175.095 0.767 25469 7120 1 12 . 1 1 104 104 MET CA C 104 55.939 55.939 55.388 0.551 25469 7121 1 12 . 1 1 104 104 MET CB C 104 32.999 32.999 33.328 -0.329 25469 7122 1 12 . 1 1 104 104 MET H H 104 8.073 8.073 7.994 0.079 25469 7123 1 12 . 1 1 105 105 TYR N N 105 120.285 120.285 116.541 3.744 25469 7124 1 12 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.751 -0.098 25469 7125 1 12 . 1 1 105 105 TYR C C 105 175.319 175.319 175.867 -0.548 25469 7126 1 12 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.897 -0.302 25469 7127 1 12 . 1 1 105 105 TYR CB C 105 38.939 38.939 40.160 -1.221 25469 7128 1 12 . 1 1 105 105 TYR H H 105 8.126 8.126 7.760 0.366 25469 7129 1 13 . 1 1 3 3 SER HA H 3 4.553 4.553 4.456 0.097 25469 7130 1 13 . 1 1 3 3 SER C C 3 173.408 173.408 175.485 -2.077 25469 7131 1 13 . 1 1 3 3 SER CA C 3 58.273 58.273 57.145 1.128 25469 7132 1 13 . 1 1 3 3 SER CB C 3 63.940 63.940 64.037 -0.097 25469 7133 1 13 . 1 1 4 4 ASN N N 4 120.235 120.235 121.097 -0.862 25469 7134 1 13 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.996 0.221 25469 7135 1 13 . 1 1 4 4 ASN C C 4 176.243 176.243 175.048 1.195 25469 7136 1 13 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.182 -0.139 25469 7137 1 13 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.725 0.007 25469 7138 1 13 . 1 1 4 4 ASN H H 4 8.774 8.774 8.606 0.168 25469 7139 1 13 . 1 1 5 5 VAL N N 5 122.554 122.554 121.781 0.773 25469 7140 1 13 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.226 -0.457 25469 7141 1 13 . 1 1 5 5 VAL C C 5 177.223 177.223 175.142 2.081 25469 7142 1 13 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.672 3.139 25469 7143 1 13 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.664 -1.790 25469 7144 1 13 . 1 1 5 5 VAL H H 5 8.315 8.315 7.349 0.966 25469 7145 1 13 . 1 1 6 6 THR N N 6 118.503 118.503 115.054 3.449 25469 7146 1 13 . 1 1 6 6 THR HA H 6 4.678 4.678 4.409 0.269 25469 7147 1 13 . 1 1 6 6 THR C C 6 174.350 174.350 173.314 1.036 25469 7148 1 13 . 1 1 6 6 THR CA C 6 60.560 60.560 61.352 -0.792 25469 7149 1 13 . 1 1 6 6 THR CB C 6 69.833 69.833 69.704 0.129 25469 7150 1 13 . 1 1 6 6 THR H H 6 9.394 9.394 8.475 0.919 25469 7151 1 13 . 1 1 7 7 ASN N N 7 120.872 120.872 119.663 1.209 25469 7152 1 13 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.654 -0.098 25469 7153 1 13 . 1 1 7 7 ASN C C 7 176.866 176.866 173.804 3.062 25469 7154 1 13 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.385 -0.488 25469 7155 1 13 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.529 -0.447 25469 7156 1 13 . 1 1 7 7 ASN H H 7 7.976 7.976 8.178 -0.202 25469 7157 1 13 . 1 1 8 8 LYS N N 8 121.728 121.728 123.347 -1.619 25469 7158 1 13 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.624 -0.368 25469 7159 1 13 . 1 1 8 8 LYS C C 8 180.142 180.142 175.475 4.667 25469 7160 1 13 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.358 2.842 25469 7161 1 13 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.901 -3.609 25469 7162 1 13 . 1 1 8 8 LYS H H 8 8.572 8.572 8.206 0.366 25469 7163 1 13 . 1 1 9 9 THR N N 9 110.858 110.858 111.947 -1.089 25469 7164 1 13 . 1 1 9 9 THR HA H 9 4.463 4.463 4.497 -0.034 25469 7165 1 13 . 1 1 9 9 THR C C 9 174.485 174.485 174.056 0.429 25469 7166 1 13 . 1 1 9 9 THR CA C 9 61.246 61.246 61.424 -0.178 25469 7167 1 13 . 1 1 9 9 THR CB C 9 69.039 69.039 68.955 0.084 25469 7168 1 13 . 1 1 9 9 THR H H 9 8.691 8.691 8.552 0.139 25469 7169 1 13 . 1 1 10 10 ASP N N 10 121.014 121.014 124.937 -3.923 25469 7170 1 13 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.823 0.002 25469 7171 1 13 . 1 1 10 10 ASP C C 10 173.946 173.946 176.205 -2.259 25469 7172 1 13 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.768 -1.204 25469 7173 1 13 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.284 -1.683 25469 7174 1 13 . 1 1 10 10 ASP H H 10 7.907 7.907 7.628 0.279 25469 7175 1 13 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.379 -0.224 25469 7176 1 13 . 1 1 11 11 PRO C C 11 178.421 178.421 176.385 2.036 25469 7177 1 13 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.590 1.651 25469 7178 1 13 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.032 0.166 25469 7179 1 13 . 1 1 12 12 ARG N N 12 116.361 116.361 116.745 -0.384 25469 7180 1 13 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.495 -0.403 25469 7181 1 13 . 1 1 12 12 ARG C C 12 180.446 180.446 177.049 3.397 25469 7182 1 13 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.702 1.833 25469 7183 1 13 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.227 -1.977 25469 7184 1 13 . 1 1 12 12 ARG H H 12 7.940 7.940 8.177 -0.237 25469 7185 1 13 . 1 1 13 13 SER N N 13 119.379 119.379 116.041 3.338 25469 7186 1 13 . 1 1 13 13 SER HA H 13 4.052 4.052 4.339 -0.287 25469 7187 1 13 . 1 1 13 13 SER C C 13 178.762 178.762 176.076 2.686 25469 7188 1 13 . 1 1 13 13 SER CA C 13 61.529 61.529 61.331 0.198 25469 7189 1 13 . 1 1 13 13 SER CB C 13 61.778 61.778 63.230 -1.452 25469 7190 1 13 . 1 1 13 13 SER H H 13 8.143 8.143 8.364 -0.221 25469 7191 1 13 . 1 1 14 14 MET N N 14 120.327 120.327 115.042 5.285 25469 7192 1 13 . 1 1 14 14 MET HA H 14 4.097 4.097 4.554 -0.457 25469 7193 1 13 . 1 1 14 14 MET C C 14 178.576 178.576 174.844 3.732 25469 7194 1 13 . 1 1 14 14 MET CA C 14 58.293 58.293 57.220 1.073 25469 7195 1 13 . 1 1 14 14 MET CB C 14 31.813 31.813 33.165 -1.352 25469 7196 1 13 . 1 1 14 14 MET H H 14 8.238 8.238 7.526 0.712 25469 7197 1 13 . 1 1 15 15 ASN N N 15 115.378 115.378 116.186 -0.808 25469 7198 1 13 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.888 -0.263 25469 7199 1 13 . 1 1 15 15 ASN C C 15 172.556 172.556 176.248 -3.692 25469 7200 1 13 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.531 -0.502 25469 7201 1 13 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.394 -1.744 25469 7202 1 13 . 1 1 15 15 ASN H H 15 7.968 7.968 7.474 0.494 25469 7203 1 13 . 1 1 16 16 SER N N 16 106.215 106.215 115.191 -8.976 25469 7204 1 13 . 1 1 16 16 SER HA H 16 4.495 4.495 4.648 -0.153 25469 7205 1 13 . 1 1 16 16 SER C C 16 172.121 172.121 173.269 -1.148 25469 7206 1 13 . 1 1 16 16 SER CA C 16 56.785 56.785 59.163 -2.378 25469 7207 1 13 . 1 1 16 16 SER CB C 16 63.428 63.428 63.374 0.054 25469 7208 1 13 . 1 1 16 16 SER H H 16 7.253 7.253 7.889 -0.636 25469 7209 1 13 . 1 1 17 17 ARG N N 17 123.348 123.348 121.185 2.163 25469 7210 1 13 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.108 0.484 25469 7211 1 13 . 1 1 17 17 ARG C C 17 174.491 174.491 174.911 -0.420 25469 7212 1 13 . 1 1 17 17 ARG CA C 17 54.379 54.379 54.653 -0.274 25469 7213 1 13 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.898 -0.989 25469 7214 1 13 . 1 1 17 17 ARG H H 17 7.405 7.405 7.679 -0.274 25469 7215 1 13 . 1 1 18 18 VAL N N 18 122.328 122.328 122.104 0.224 25469 7216 1 13 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.477 0.232 25469 7217 1 13 . 1 1 18 18 VAL C C 18 174.863 174.863 173.960 0.903 25469 7218 1 13 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.339 -0.682 25469 7219 1 13 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.656 -1.354 25469 7220 1 13 . 1 1 18 18 VAL H H 18 9.260 9.260 8.939 0.321 25469 7221 1 13 . 1 1 19 19 PHE N N 19 126.010 126.010 128.426 -2.416 25469 7222 1 13 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.293 0.173 25469 7223 1 13 . 1 1 19 19 PHE C C 19 171.967 171.967 173.445 -1.478 25469 7224 1 13 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.136 1.973 25469 7225 1 13 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.478 -0.455 25469 7226 1 13 . 1 1 19 19 PHE H H 19 9.159 9.159 9.213 -0.054 25469 7227 1 13 . 1 1 20 20 ILE N N 20 126.422 126.422 127.663 -1.241 25469 7228 1 13 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.084 -0.223 25469 7229 1 13 . 1 1 20 20 ILE C C 20 173.050 173.050 174.427 -1.377 25469 7230 1 13 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.893 -0.545 25469 7231 1 13 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.087 1.113 25469 7232 1 13 . 1 1 20 20 ILE H H 20 7.716 7.716 8.392 -0.676 25469 7233 1 13 . 1 1 21 21 GLY N N 21 113.182 113.182 111.543 1.639 25469 7234 1 13 . 1 1 21 21 GLY C C 21 173.769 173.769 173.980 -0.211 25469 7235 1 13 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.400 0.460 25469 7236 1 13 . 1 1 21 21 GLY H H 21 8.550 8.550 7.890 0.660 25469 7237 1 13 . 1 1 22 22 ASN N N 22 116.072 116.072 115.789 0.283 25469 7238 1 13 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.339 0.008 25469 7239 1 13 . 1 1 22 22 ASN C C 22 174.205 174.205 173.880 0.325 25469 7240 1 13 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.676 -0.243 25469 7241 1 13 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.705 1.121 25469 7242 1 13 . 1 1 22 22 ASN H H 22 7.291 7.291 8.522 -1.231 25469 7243 1 13 . 1 1 23 23 LEU N N 23 118.873 118.873 118.987 -0.114 25469 7244 1 13 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.670 -0.742 25469 7245 1 13 . 1 1 23 23 LEU C C 23 176.551 176.551 176.252 0.299 25469 7246 1 13 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.446 -0.781 25469 7247 1 13 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.254 0.095 25469 7248 1 13 . 1 1 23 23 LEU H H 23 7.279 7.279 7.987 -0.708 25469 7249 1 13 . 1 1 24 24 ASN N N 24 124.260 124.260 122.616 1.644 25469 7250 1 13 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.476 0.283 25469 7251 1 13 . 1 1 24 24 ASN C C 24 175.831 175.831 175.613 0.218 25469 7252 1 13 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.362 -3.722 25469 7253 1 13 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.716 -3.161 25469 7254 1 13 . 1 1 24 24 ASN H H 24 9.075 9.075 8.776 0.299 25469 7255 1 13 . 1 1 25 25 THR N N 25 118.101 118.101 106.625 11.476 25469 7256 1 13 . 1 1 25 25 THR HA H 25 4.377 4.377 4.131 0.246 25469 7257 1 13 . 1 1 25 25 THR C C 25 175.286 175.286 174.691 0.595 25469 7258 1 13 . 1 1 25 25 THR CA C 25 63.324 63.324 63.851 -0.527 25469 7259 1 13 . 1 1 25 25 THR CB C 25 67.439 67.439 67.749 -0.310 25469 7260 1 13 . 1 1 25 25 THR H H 25 8.226 8.226 7.921 0.305 25469 7261 1 13 . 1 1 26 26 LEU N N 26 121.285 121.285 119.325 1.960 25469 7262 1 13 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.365 -0.054 25469 7263 1 13 . 1 1 26 26 LEU C C 26 178.244 178.244 177.484 0.760 25469 7264 1 13 . 1 1 26 26 LEU CA C 26 57.314 57.314 57.036 0.278 25469 7265 1 13 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.130 -0.802 25469 7266 1 13 . 1 1 26 26 LEU H H 26 7.670 7.670 7.999 -0.329 25469 7267 1 13 . 1 1 27 27 VAL N N 27 114.562 114.562 115.725 -1.163 25469 7268 1 13 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.142 -0.095 25469 7269 1 13 . 1 1 27 27 VAL C C 27 175.200 175.200 175.423 -0.223 25469 7270 1 13 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.597 0.434 25469 7271 1 13 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.116 2.066 25469 7272 1 13 . 1 1 27 27 VAL H H 27 6.790 6.790 7.520 -0.730 25469 7273 1 13 . 1 1 28 28 VAL N N 28 121.996 121.996 121.798 0.198 25469 7274 1 13 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.227 -0.368 25469 7275 1 13 . 1 1 28 28 VAL C C 28 174.352 174.352 174.411 -0.059 25469 7276 1 13 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.282 1.910 25469 7277 1 13 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.364 -1.423 25469 7278 1 13 . 1 1 28 28 VAL H H 28 8.276 8.276 7.666 0.610 25469 7279 1 13 . 1 1 29 29 LYS N N 29 124.228 124.228 126.156 -1.928 25469 7280 1 13 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.764 -0.162 25469 7281 1 13 . 1 1 29 29 LYS C C 29 177.959 177.959 177.140 0.819 25469 7282 1 13 . 1 1 29 29 LYS CA C 29 53.646 53.646 53.256 0.390 25469 7283 1 13 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.617 -1.222 25469 7284 1 13 . 1 1 29 29 LYS H H 29 8.925 8.925 8.054 0.871 25469 7285 1 13 . 1 1 30 30 LYS N N 30 123.350 123.350 120.347 3.003 25469 7286 1 13 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.145 -0.491 25469 7287 1 13 . 1 1 30 30 LYS C C 30 177.639 177.639 177.209 0.430 25469 7288 1 13 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.552 2.848 25469 7289 1 13 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.796 0.853 25469 7290 1 13 . 1 1 30 30 LYS H H 30 8.993 8.993 8.672 0.321 25469 7291 1 13 . 1 1 31 31 SER N N 31 111.465 111.465 113.747 -2.282 25469 7292 1 13 . 1 1 31 31 SER HA H 31 4.167 4.167 4.678 -0.511 25469 7293 1 13 . 1 1 31 31 SER C C 31 177.617 177.617 174.196 3.421 25469 7294 1 13 . 1 1 31 31 SER CA C 31 61.389 61.389 58.538 2.851 25469 7295 1 13 . 1 1 31 31 SER CB C 31 61.533 61.533 63.522 -1.989 25469 7296 1 13 . 1 1 31 31 SER H H 31 8.669 8.669 8.104 0.565 25469 7297 1 13 . 1 1 32 32 ASP N N 32 122.187 122.187 121.808 0.379 25469 7298 1 13 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.809 -0.289 25469 7299 1 13 . 1 1 32 32 ASP C C 32 178.194 178.194 178.293 -0.099 25469 7300 1 13 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.908 1.280 25469 7301 1 13 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.475 -0.628 25469 7302 1 13 . 1 1 32 32 ASP H H 32 7.141 7.141 7.985 -0.844 25469 7303 1 13 . 1 1 33 33 VAL N N 33 120.138 120.138 120.211 -0.073 25469 7304 1 13 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.932 -0.471 25469 7305 1 13 . 1 1 33 33 VAL C C 33 178.624 178.624 176.584 2.040 25469 7306 1 13 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.861 0.513 25469 7307 1 13 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.695 -0.409 25469 7308 1 13 . 1 1 33 33 VAL H H 33 7.956 7.956 8.243 -0.287 25469 7309 1 13 . 1 1 34 34 GLU N N 34 118.717 118.717 116.165 2.552 25469 7310 1 13 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.217 -0.463 25469 7311 1 13 . 1 1 34 34 GLU C C 34 178.701 178.701 175.838 2.863 25469 7312 1 13 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.481 3.024 25469 7313 1 13 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.715 0.629 25469 7314 1 13 . 1 1 34 34 GLU H H 34 8.637 8.637 8.710 -0.073 25469 7315 1 13 . 1 1 35 35 ALA N N 35 121.541 121.541 120.028 1.513 25469 7316 1 13 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.568 -0.419 25469 7317 1 13 . 1 1 35 35 ALA C C 35 180.483 180.483 177.338 3.145 25469 7318 1 13 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.689 2.827 25469 7319 1 13 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.258 -2.210 25469 7320 1 13 . 1 1 35 35 ALA H H 35 7.823 7.823 7.913 -0.090 25469 7321 1 13 . 1 1 36 36 ILE N N 36 117.449 117.449 117.255 0.194 25469 7322 1 13 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.050 -0.387 25469 7323 1 13 . 1 1 36 36 ILE C C 36 178.665 178.665 176.001 2.664 25469 7324 1 13 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.906 1.905 25469 7325 1 13 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.544 0.246 25469 7326 1 13 . 1 1 36 36 ILE H H 36 7.773 7.773 7.525 0.248 25469 7327 1 13 . 1 1 37 37 PHE N N 37 113.524 113.524 117.109 -3.585 25469 7328 1 13 . 1 1 37 37 PHE HA H 37 4.358 4.358 5.004 -0.646 25469 7329 1 13 . 1 1 37 37 PHE C C 37 179.593 179.593 177.470 2.123 25469 7330 1 13 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.463 3.217 25469 7331 1 13 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.504 -3.294 25469 7332 1 13 . 1 1 37 37 PHE H H 37 8.566 8.566 8.347 0.219 25469 7333 1 13 . 1 1 38 38 SER N N 38 122.025 122.025 114.913 7.112 25469 7334 1 13 . 1 1 38 38 SER HA H 38 4.821 4.821 4.684 0.137 25469 7335 1 13 . 1 1 38 38 SER C C 38 175.439 175.439 175.476 -0.037 25469 7336 1 13 . 1 1 38 38 SER CA C 38 61.519 61.519 60.233 1.286 25469 7337 1 13 . 1 1 38 38 SER CB C 38 62.765 62.765 63.525 -0.760 25469 7338 1 13 . 1 1 38 38 SER H H 38 8.834 8.834 8.554 0.280 25469 7339 1 13 . 1 1 39 39 LYS N N 39 119.387 119.387 118.858 0.529 25469 7340 1 13 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.085 -0.124 25469 7341 1 13 . 1 1 39 39 LYS C C 39 177.064 177.064 176.175 0.889 25469 7342 1 13 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.269 1.010 25469 7343 1 13 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.405 0.181 25469 7344 1 13 . 1 1 39 39 LYS H H 39 7.054 7.054 7.947 -0.893 25469 7345 1 13 . 1 1 40 40 TYR N N 40 114.433 114.433 118.692 -4.259 25469 7346 1 13 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.592 -0.315 25469 7347 1 13 . 1 1 40 40 TYR C C 40 174.842 174.842 174.896 -0.054 25469 7348 1 13 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.987 0.863 25469 7349 1 13 . 1 1 40 40 TYR CB C 40 38.427 38.427 39.991 -1.564 25469 7350 1 13 . 1 1 40 40 TYR H H 40 6.956 6.956 7.458 -0.502 25469 7351 1 13 . 1 1 41 41 GLY N N 41 106.514 106.514 103.864 2.650 25469 7352 1 13 . 1 1 41 41 GLY C C 41 170.573 170.573 171.827 -1.254 25469 7353 1 13 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.841 -0.285 25469 7354 1 13 . 1 1 41 41 GLY H H 41 7.428 7.428 7.289 0.139 25469 7355 1 13 . 1 1 42 42 LYS N N 42 117.788 117.788 121.813 -4.025 25469 7356 1 13 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.342 -0.145 25469 7357 1 13 . 1 1 42 42 LYS C C 42 176.536 176.536 176.039 0.497 25469 7358 1 13 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.736 0.400 25469 7359 1 13 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.720 0.247 25469 7360 1 13 . 1 1 42 42 LYS H H 42 8.034 8.034 8.484 -0.450 25469 7361 1 13 . 1 1 43 43 ILE N N 43 127.104 127.104 127.310 -0.206 25469 7362 1 13 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.485 -0.461 25469 7363 1 13 . 1 1 43 43 ILE C C 43 176.993 176.993 176.479 0.514 25469 7364 1 13 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.765 -0.385 25469 7365 1 13 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.736 0.177 25469 7366 1 13 . 1 1 43 43 ILE H H 43 8.711 8.711 8.632 0.079 25469 7367 1 13 . 1 1 44 44 VAL N N 44 121.993 121.993 120.199 1.794 25469 7368 1 13 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.511 -0.147 25469 7369 1 13 . 1 1 44 44 VAL C C 44 176.853 176.853 175.298 1.555 25469 7370 1 13 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.834 1.024 25469 7371 1 13 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.326 -0.774 25469 7372 1 13 . 1 1 44 44 VAL H H 44 8.711 8.711 8.737 -0.026 25469 7373 1 13 . 1 1 45 45 GLY N N 45 109.507 109.507 107.179 2.328 25469 7374 1 13 . 1 1 45 45 GLY C C 45 171.266 171.266 171.712 -0.446 25469 7375 1 13 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.595 -0.586 25469 7376 1 13 . 1 1 45 45 GLY H H 45 7.530 7.530 7.459 0.071 25469 7377 1 13 . 1 1 46 46 CYS N N 46 124.546 124.546 121.264 3.282 25469 7378 1 13 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.389 -0.358 25469 7379 1 13 . 1 1 46 46 CYS C C 46 172.073 172.073 172.291 -0.218 25469 7380 1 13 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.291 0.672 25469 7381 1 13 . 1 1 46 46 CYS CB C 46 28.342 28.342 30.648 -2.307 25469 7382 1 13 . 1 1 46 46 CYS H H 46 8.982 8.982 9.192 -0.210 25469 7383 1 13 . 1 1 47 47 SER N N 47 122.933 122.933 119.401 3.532 25469 7384 1 13 . 1 1 47 47 SER HA H 47 4.908 4.908 4.836 0.072 25469 7385 1 13 . 1 1 47 47 SER C C 47 171.849 171.849 172.074 -0.225 25469 7386 1 13 . 1 1 47 47 SER CA C 47 56.585 56.585 57.234 -0.650 25469 7387 1 13 . 1 1 47 47 SER CB C 47 65.733 65.733 65.400 0.333 25469 7388 1 13 . 1 1 47 47 SER H H 47 8.569 8.569 8.971 -0.402 25469 7389 1 13 . 1 1 48 48 VAL N N 48 121.588 121.588 122.883 -1.295 25469 7390 1 13 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.294 -0.156 25469 7391 1 13 . 1 1 48 48 VAL C C 48 173.991 173.991 174.225 -0.234 25469 7392 1 13 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.326 0.984 25469 7393 1 13 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.690 -0.766 25469 7394 1 13 . 1 1 48 48 VAL H H 48 8.565 8.565 8.247 0.318 25469 7395 1 13 . 1 1 49 49 HIS N N 49 130.308 130.308 123.650 6.658 25469 7396 1 13 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.739 -0.307 25469 7397 1 13 . 1 1 49 49 HIS C C 49 173.950 173.950 173.765 0.185 25469 7398 1 13 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.218 0.433 25469 7399 1 13 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.453 -0.900 25469 7400 1 13 . 1 1 49 49 HIS H H 49 8.441 8.441 8.841 -0.400 25469 7401 1 13 . 1 1 50 50 LYS N N 50 121.937 121.937 120.091 1.846 25469 7402 1 13 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.153 0.307 25469 7403 1 13 . 1 1 50 50 LYS C C 50 175.528 175.528 177.371 -1.843 25469 7404 1 13 . 1 1 50 50 LYS CA C 50 56.289 56.289 55.872 0.417 25469 7405 1 13 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.831 -1.353 25469 7406 1 13 . 1 1 50 50 LYS H H 50 7.926 7.926 8.223 -0.297 25469 7407 1 13 . 1 1 51 51 GLY N N 51 114.868 114.868 111.441 3.427 25469 7408 1 13 . 1 1 51 51 GLY C C 51 174.253 174.253 172.919 1.334 25469 7409 1 13 . 1 1 51 51 GLY CA C 51 45.520 45.520 45.966 -0.446 25469 7410 1 13 . 1 1 51 51 GLY H H 51 8.644 8.644 8.774 -0.130 25469 7411 1 13 . 1 1 52 52 PHE N N 52 112.790 112.790 115.547 -2.757 25469 7412 1 13 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.662 -0.414 25469 7413 1 13 . 1 1 52 52 PHE C C 52 171.606 171.606 172.932 -1.326 25469 7414 1 13 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.301 0.929 25469 7415 1 13 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.565 -0.520 25469 7416 1 13 . 1 1 52 52 PHE H H 52 7.005 7.005 7.177 -0.172 25469 7417 1 13 . 1 1 53 53 ALA N N 53 119.858 119.858 119.354 0.504 25469 7418 1 13 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.914 -0.079 25469 7419 1 13 . 1 1 53 53 ALA C C 53 173.030 173.030 174.597 -1.567 25469 7420 1 13 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.112 -0.766 25469 7421 1 13 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.481 2.252 25469 7422 1 13 . 1 1 53 53 ALA H H 53 8.724 8.724 8.471 0.253 25469 7423 1 13 . 1 1 54 54 PHE N N 54 112.158 112.158 116.284 -4.126 25469 7424 1 13 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.699 -0.119 25469 7425 1 13 . 1 1 54 54 PHE C C 54 175.765 175.765 174.161 1.604 25469 7426 1 13 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.133 -0.529 25469 7427 1 13 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.475 -0.181 25469 7428 1 13 . 1 1 54 54 PHE H H 54 8.764 8.764 9.118 -0.354 25469 7429 1 13 . 1 1 55 55 VAL N N 55 118.628 118.628 120.529 -1.901 25469 7430 1 13 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.611 -0.399 25469 7431 1 13 . 1 1 55 55 VAL C C 55 172.807 172.807 173.777 -0.970 25469 7432 1 13 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.809 1.068 25469 7433 1 13 . 1 1 55 55 VAL CB C 55 34.953 34.953 36.029 -1.076 25469 7434 1 13 . 1 1 55 55 VAL H H 55 8.310 8.310 8.868 -0.558 25469 7435 1 13 . 1 1 56 56 GLN N N 56 128.402 128.402 122.795 5.607 25469 7436 1 13 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.920 -0.355 25469 7437 1 13 . 1 1 56 56 GLN C C 56 173.894 173.894 174.143 -0.249 25469 7438 1 13 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.952 0.261 25469 7439 1 13 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.270 -0.164 25469 7440 1 13 . 1 1 56 56 GLN H H 56 9.253 9.253 8.695 0.558 25469 7441 1 13 . 1 1 57 57 TYR N N 57 127.617 127.617 123.913 3.704 25469 7442 1 13 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.417 -0.136 25469 7443 1 13 . 1 1 57 57 TYR C C 57 175.610 175.610 176.845 -1.235 25469 7444 1 13 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.400 2.291 25469 7445 1 13 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.948 -0.879 25469 7446 1 13 . 1 1 57 57 TYR H H 57 8.919 8.919 9.018 -0.099 25469 7447 1 13 . 1 1 58 58 VAL N N 58 116.705 116.705 119.432 -2.727 25469 7448 1 13 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.823 0.290 25469 7449 1 13 . 1 1 58 58 VAL C C 58 175.860 175.860 175.094 0.766 25469 7450 1 13 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.491 -0.462 25469 7451 1 13 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.201 0.848 25469 7452 1 13 . 1 1 58 58 VAL H H 58 9.458 9.458 8.793 0.665 25469 7453 1 13 . 1 1 59 59 ASN N N 59 112.563 112.563 111.221 1.342 25469 7454 1 13 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.889 0.261 25469 7455 1 13 . 1 1 59 59 ASN C C 59 174.483 174.483 175.468 -0.985 25469 7456 1 13 . 1 1 59 59 ASN CA C 59 51.952 51.952 51.845 0.107 25469 7457 1 13 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.549 1.628 25469 7458 1 13 . 1 1 59 59 ASN H H 59 7.230 7.230 7.428 -0.198 25469 7459 1 13 . 1 1 60 60 GLU N N 60 124.320 124.320 120.698 3.622 25469 7460 1 13 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.129 0.186 25469 7461 1 13 . 1 1 60 60 GLU C C 60 178.202 178.202 177.741 0.461 25469 7462 1 13 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.414 -0.633 25469 7463 1 13 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.865 0.513 25469 7464 1 13 . 1 1 60 60 GLU H H 60 8.807 8.807 8.911 -0.104 25469 7465 1 13 . 1 1 61 61 ARG N N 61 118.347 118.347 118.991 -0.644 25469 7466 1 13 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.039 -0.049 25469 7467 1 13 . 1 1 61 61 ARG C C 61 179.341 179.341 178.552 0.789 25469 7468 1 13 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.539 0.928 25469 7469 1 13 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.758 -0.357 25469 7470 1 13 . 1 1 61 61 ARG H H 61 8.620 8.620 8.277 0.343 25469 7471 1 13 . 1 1 62 62 ASN N N 62 118.085 118.085 117.258 0.827 25469 7472 1 13 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.324 -0.047 25469 7473 1 13 . 1 1 62 62 ASN C C 62 174.852 174.852 176.517 -1.665 25469 7474 1 13 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.239 0.226 25469 7475 1 13 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.176 0.831 25469 7476 1 13 . 1 1 62 62 ASN H H 62 7.781 7.781 7.999 -0.218 25469 7477 1 13 . 1 1 63 63 ALA N N 63 119.580 119.580 122.984 -3.404 25469 7478 1 13 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.427 -0.679 25469 7479 1 13 . 1 1 63 63 ALA C C 63 178.862 178.862 179.330 -0.468 25469 7480 1 13 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.750 0.211 25469 7481 1 13 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.747 -0.205 25469 7482 1 13 . 1 1 63 63 ALA H H 63 6.775 6.775 7.260 -0.485 25469 7483 1 13 . 1 1 64 64 ARG N N 64 114.991 114.991 118.421 -3.430 25469 7484 1 13 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.136 -0.296 25469 7485 1 13 . 1 1 64 64 ARG C C 64 179.776 179.776 178.638 1.138 25469 7486 1 13 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.102 2.080 25469 7487 1 13 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.702 -0.455 25469 7488 1 13 . 1 1 64 64 ARG H H 64 8.737 8.737 8.526 0.211 25469 7489 1 13 . 1 1 65 65 ALA N N 65 123.698 123.698 121.355 2.343 25469 7490 1 13 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.271 -0.144 25469 7491 1 13 . 1 1 65 65 ALA C C 65 179.561 179.561 178.592 0.969 25469 7492 1 13 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.561 0.387 25469 7493 1 13 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.323 -0.432 25469 7494 1 13 . 1 1 65 65 ALA H H 65 7.820 7.820 7.567 0.253 25469 7495 1 13 . 1 1 66 66 ALA N N 66 123.811 123.811 120.073 3.738 25469 7496 1 13 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.688 -1.621 25469 7497 1 13 . 1 1 66 66 ALA C C 66 179.260 179.260 179.239 0.021 25469 7498 1 13 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.406 -0.097 25469 7499 1 13 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.108 0.200 25469 7500 1 13 . 1 1 66 66 ALA H H 66 7.538 7.538 7.407 0.131 25469 7501 1 13 . 1 1 67 67 VAL N N 67 116.571 116.571 118.556 -1.985 25469 7502 1 13 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.682 -0.327 25469 7503 1 13 . 1 1 67 67 VAL C C 67 177.744 177.744 177.561 0.183 25469 7504 1 13 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.870 -0.340 25469 7505 1 13 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.670 0.297 25469 7506 1 13 . 1 1 67 67 VAL H H 67 7.612 7.612 8.363 -0.751 25469 7507 1 13 . 1 1 68 68 ALA N N 68 118.239 118.239 120.070 -1.831 25469 7508 1 13 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.303 -0.182 25469 7509 1 13 . 1 1 68 68 ALA C C 68 180.749 180.749 178.186 2.563 25469 7510 1 13 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.490 0.862 25469 7511 1 13 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.690 -0.593 25469 7512 1 13 . 1 1 68 68 ALA H H 68 7.549 7.549 7.543 0.006 25469 7513 1 13 . 1 1 69 69 GLY N N 69 103.748 103.748 105.273 -1.525 25469 7514 1 13 . 1 1 69 69 GLY C C 69 175.627 175.627 174.945 0.682 25469 7515 1 13 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.071 1.016 25469 7516 1 13 . 1 1 69 69 GLY H H 69 8.135 8.135 7.310 0.825 25469 7517 1 13 . 1 1 70 70 GLU N N 70 114.571 114.571 116.645 -2.074 25469 7518 1 13 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.351 0.281 25469 7519 1 13 . 1 1 70 70 GLU C C 70 176.392 176.392 174.957 1.435 25469 7520 1 13 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.795 -0.597 25469 7521 1 13 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.880 -0.508 25469 7522 1 13 . 1 1 70 70 GLU H H 70 7.653 7.653 7.610 0.043 25469 7523 1 13 . 1 1 71 71 ASP N N 71 118.127 118.127 121.307 -3.180 25469 7524 1 13 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.303 -0.018 25469 7525 1 13 . 1 1 71 71 ASP C C 71 178.699 178.699 177.128 1.571 25469 7526 1 13 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.224 1.317 25469 7527 1 13 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.101 1.269 25469 7528 1 13 . 1 1 71 71 ASP H H 71 8.026 8.026 7.562 0.464 25469 7529 1 13 . 1 1 72 72 GLY N N 72 114.353 114.353 114.327 0.026 25469 7530 1 13 . 1 1 72 72 GLY C C 72 173.792 173.792 175.171 -1.379 25469 7531 1 13 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.762 -0.003 25469 7532 1 13 . 1 1 72 72 GLY H H 72 8.292 8.292 8.140 0.152 25469 7533 1 13 . 1 1 73 73 ARG N N 73 121.996 121.996 119.482 2.514 25469 7534 1 13 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.174 0.012 25469 7535 1 13 . 1 1 73 73 ARG C C 73 175.188 175.188 176.440 -1.252 25469 7536 1 13 . 1 1 73 73 ARG CA C 73 56.476 56.476 56.306 0.170 25469 7537 1 13 . 1 1 73 73 ARG CB C 73 31.319 31.319 30.462 0.858 25469 7538 1 13 . 1 1 73 73 ARG H H 73 7.981 7.981 7.763 0.218 25469 7539 1 13 . 1 1 74 74 MET N N 74 125.120 125.120 118.127 6.993 25469 7540 1 13 . 1 1 74 74 MET HA H 74 4.795 4.795 4.214 0.581 25469 7541 1 13 . 1 1 74 74 MET C C 74 175.727 175.727 174.111 1.616 25469 7542 1 13 . 1 1 74 74 MET CA C 74 55.054 55.054 56.380 -1.326 25469 7543 1 13 . 1 1 74 74 MET CB C 74 33.076 33.076 32.403 0.673 25469 7544 1 13 . 1 1 74 74 MET H H 74 8.710 8.710 7.926 0.784 25469 7545 1 13 . 1 1 75 75 ILE N N 75 127.530 127.530 125.632 1.898 25469 7546 1 13 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.453 -0.066 25469 7547 1 13 . 1 1 75 75 ILE C C 75 175.277 175.277 175.865 -0.588 25469 7548 1 13 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.758 -1.027 25469 7549 1 13 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.548 -1.141 25469 7550 1 13 . 1 1 75 75 ILE H H 75 8.583 8.583 8.686 -0.103 25469 7551 1 13 . 1 1 76 76 ALA N N 76 132.166 132.166 129.583 2.583 25469 7552 1 13 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.988 0.044 25469 7553 1 13 . 1 1 76 76 ALA C C 76 177.206 177.206 177.730 -0.524 25469 7554 1 13 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.331 -0.459 25469 7555 1 13 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.437 -0.189 25469 7556 1 13 . 1 1 76 76 ALA H H 76 9.540 9.540 9.014 0.526 25469 7557 1 13 . 1 1 77 77 GLY N N 77 101.685 101.685 102.794 -1.109 25469 7558 1 13 . 1 1 77 77 GLY C C 77 174.206 174.206 173.883 0.323 25469 7559 1 13 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.846 0.921 25469 7560 1 13 . 1 1 77 77 GLY H H 77 8.446 8.446 8.311 0.135 25469 7561 1 13 . 1 1 78 78 GLN N N 78 118.947 118.947 120.020 -1.073 25469 7562 1 13 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.656 0.075 25469 7563 1 13 . 1 1 78 78 GLN C C 78 174.047 174.047 174.966 -0.919 25469 7564 1 13 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.184 0.077 25469 7565 1 13 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.673 0.431 25469 7566 1 13 . 1 1 78 78 GLN H H 78 7.708 7.708 8.139 -0.431 25469 7567 1 13 . 1 1 79 79 VAL N N 79 123.383 123.383 126.438 -3.055 25469 7568 1 13 . 1 1 79 79 VAL HA H 79 4.014 4.014 3.919 0.095 25469 7569 1 13 . 1 1 79 79 VAL C C 79 176.348 176.348 175.385 0.963 25469 7570 1 13 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.248 -0.580 25469 7571 1 13 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.264 -0.135 25469 7572 1 13 . 1 1 79 79 VAL H H 79 8.570 8.570 8.549 0.021 25469 7573 1 13 . 1 1 80 80 LEU N N 80 128.544 128.544 126.140 2.404 25469 7574 1 13 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.633 -0.325 25469 7575 1 13 . 1 1 80 80 LEU C C 80 176.522 176.522 176.193 0.329 25469 7576 1 13 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.642 2.259 25469 7577 1 13 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.791 -0.892 25469 7578 1 13 . 1 1 80 80 LEU H H 80 9.002 9.002 8.229 0.773 25469 7579 1 13 . 1 1 81 81 ASP N N 81 124.135 124.135 122.362 1.773 25469 7580 1 13 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.208 0.013 25469 7581 1 13 . 1 1 81 81 ASP C C 81 174.660 174.660 174.735 -0.075 25469 7582 1 13 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.857 -0.870 25469 7583 1 13 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.342 0.425 25469 7584 1 13 . 1 1 81 81 ASP H H 81 7.718 7.718 8.356 -0.638 25469 7585 1 13 . 1 1 82 82 ILE N N 82 123.344 123.344 123.340 0.004 25469 7586 1 13 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.688 0.709 25469 7587 1 13 . 1 1 82 82 ILE C C 82 174.521 174.521 174.715 -0.194 25469 7588 1 13 . 1 1 82 82 ILE CA C 82 59.134 59.134 60.115 -0.981 25469 7589 1 13 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.265 0.702 25469 7590 1 13 . 1 1 82 82 ILE H H 82 9.071 9.071 8.842 0.229 25469 7591 1 13 . 1 1 83 83 ASN N N 83 116.447 116.447 122.834 -6.387 25469 7592 1 13 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.982 -0.140 25469 7593 1 13 . 1 1 83 83 ASN C C 83 174.566 174.566 173.754 0.812 25469 7594 1 13 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.132 0.996 25469 7595 1 13 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.515 0.559 25469 7596 1 13 . 1 1 83 83 ASN H H 83 8.494 8.494 8.813 -0.319 25469 7597 1 13 . 1 1 84 84 LEU N N 84 123.786 123.786 122.880 0.906 25469 7598 1 13 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.354 0.366 25469 7599 1 13 . 1 1 84 84 LEU C C 84 180.969 180.969 178.149 2.820 25469 7600 1 13 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.329 0.028 25469 7601 1 13 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.319 -2.000 25469 7602 1 13 . 1 1 84 84 LEU H H 84 9.414 9.414 8.814 0.600 25469 7603 1 13 . 1 1 85 85 ALA N N 85 127.577 127.577 129.484 -1.907 25469 7604 1 13 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.352 -0.304 25469 7605 1 13 . 1 1 85 85 ALA C C 85 177.932 177.932 176.697 1.235 25469 7606 1 13 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.220 2.129 25469 7607 1 13 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.010 -1.023 25469 7608 1 13 . 1 1 85 85 ALA H H 85 9.279 9.279 8.294 0.985 25469 7609 1 13 . 1 1 86 86 ALA N N 86 116.071 116.071 116.651 -0.580 25469 7610 1 13 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.413 -0.002 25469 7611 1 13 . 1 1 86 86 ALA C C 86 176.153 176.153 176.592 -0.439 25469 7612 1 13 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.027 -0.298 25469 7613 1 13 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.895 -0.586 25469 7614 1 13 . 1 1 86 86 ALA H H 86 8.687 8.687 8.002 0.685 25469 7615 1 13 . 1 1 87 87 GLU N N 87 118.959 118.959 119.226 -0.267 25469 7616 1 13 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.735 0.001 25469 7617 1 13 . 1 1 87 87 GLU C C 87 171.677 171.677 173.900 -2.223 25469 7618 1 13 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.328 -0.156 25469 7619 1 13 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.227 -0.254 25469 7620 1 13 . 1 1 87 87 GLU H H 87 7.901 7.901 7.797 0.104 25469 7621 1 13 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.498 -0.155 25469 7622 1 13 . 1 1 88 88 PRO C C 88 177.303 177.303 175.894 1.409 25469 7623 1 13 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.077 -0.159 25469 7624 1 13 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.656 -0.758 25469 7625 1 13 . 1 1 89 89 LYS N N 89 121.298 121.298 122.541 -1.243 25469 7626 1 13 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.403 -0.176 25469 7627 1 13 . 1 1 89 89 LYS C C 89 177.690 177.690 175.902 1.788 25469 7628 1 13 . 1 1 89 89 LYS CA C 89 56.802 56.802 56.295 0.507 25469 7629 1 13 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.761 0.743 25469 7630 1 13 . 1 1 89 89 LYS H H 89 7.973 7.973 8.565 -0.592 25469 7631 1 13 . 1 1 90 90 VAL N N 90 120.788 120.788 115.121 5.667 25469 7632 1 13 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.367 -0.438 25469 7633 1 13 . 1 1 90 90 VAL C C 90 176.170 176.170 175.659 0.511 25469 7634 1 13 . 1 1 90 90 VAL CA C 90 63.217 63.217 61.558 1.659 25469 7635 1 13 . 1 1 90 90 VAL CB C 90 32.346 32.346 32.614 -0.268 25469 7636 1 13 . 1 1 90 90 VAL H H 90 8.216 8.216 8.252 -0.036 25469 7637 1 13 . 1 1 91 91 ASN N N 91 119.438 119.438 118.974 0.464 25469 7638 1 13 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.587 0.072 25469 7639 1 13 . 1 1 91 91 ASN C C 91 175.173 175.173 174.281 0.892 25469 7640 1 13 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.874 -0.837 25469 7641 1 13 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.581 -0.414 25469 7642 1 13 . 1 1 91 91 ASN H H 91 8.451 8.451 8.296 0.155 25469 7643 1 13 . 1 1 92 92 ARG N N 92 120.958 120.958 119.984 0.974 25469 7644 1 13 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.593 -0.356 25469 7645 1 13 . 1 1 92 92 ARG C C 92 177.002 177.002 175.186 1.816 25469 7646 1 13 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.517 1.127 25469 7647 1 13 . 1 1 92 92 ARG CB C 92 30.526 30.526 31.454 -0.928 25469 7648 1 13 . 1 1 92 92 ARG H H 92 7.978 7.978 7.702 0.276 25469 7649 1 13 . 1 1 93 93 GLY N N 93 110.275 110.275 111.437 -1.162 25469 7650 1 13 . 1 1 93 93 GLY C C 93 174.246 174.246 173.577 0.669 25469 7651 1 13 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.215 0.169 25469 7652 1 13 . 1 1 93 93 GLY H H 93 8.604 8.604 8.556 0.048 25469 7653 1 13 . 1 1 94 94 LYS N N 94 120.750 120.750 119.197 1.553 25469 7654 1 13 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.746 -0.449 25469 7655 1 13 . 1 1 94 94 LYS C C 94 176.525 176.525 175.838 0.687 25469 7656 1 13 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.210 -0.166 25469 7657 1 13 . 1 1 94 94 LYS CB C 94 33.025 33.025 34.414 -1.389 25469 7658 1 13 . 1 1 94 94 LYS H H 94 8.113 8.113 8.593 -0.480 25469 7659 1 13 . 1 1 95 95 ALA N N 95 124.912 124.912 120.931 3.981 25469 7660 1 13 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.597 -0.298 25469 7661 1 13 . 1 1 95 95 ALA C C 95 178.325 178.325 176.460 1.865 25469 7662 1 13 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.674 1.078 25469 7663 1 13 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.316 -1.176 25469 7664 1 13 . 1 1 95 95 ALA H H 95 8.367 8.367 7.706 0.661 25469 7665 1 13 . 1 1 96 96 GLY N N 96 108.328 108.328 106.098 2.230 25469 7666 1 13 . 1 1 96 96 GLY C C 96 174.096 174.096 174.413 -0.317 25469 7667 1 13 . 1 1 96 96 GLY CA C 96 45.241 45.241 46.102 -0.861 25469 7668 1 13 . 1 1 96 96 GLY H H 96 8.390 8.390 8.216 0.174 25469 7669 1 13 . 1 1 97 97 VAL N N 97 119.774 119.774 118.848 0.926 25469 7670 1 13 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.353 -0.276 25469 7671 1 13 . 1 1 97 97 VAL C C 97 176.156 176.156 174.983 1.173 25469 7672 1 13 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.499 0.800 25469 7673 1 13 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.756 -0.902 25469 7674 1 13 . 1 1 97 97 VAL H H 97 7.925 7.925 7.514 0.411 25469 7675 1 13 . 1 1 98 98 LYS N N 98 126.024 126.024 126.677 -0.653 25469 7676 1 13 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.554 -0.228 25469 7677 1 13 . 1 1 98 98 LYS C C 98 176.427 176.427 175.926 0.501 25469 7678 1 13 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.141 -0.040 25469 7679 1 13 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.194 0.867 25469 7680 1 13 . 1 1 98 98 LYS H H 98 8.473 8.473 8.542 -0.069 25469 7681 1 13 . 1 1 99 99 ARG N N 99 123.644 123.644 118.709 4.935 25469 7682 1 13 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.512 -0.133 25469 7683 1 13 . 1 1 99 99 ARG C C 99 176.231 176.231 176.297 -0.066 25469 7684 1 13 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.223 0.709 25469 7685 1 13 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.928 -0.661 25469 7686 1 13 . 1 1 99 99 ARG H H 99 8.464 8.464 7.620 0.844 25469 7687 1 13 . 1 1 100 100 SER N N 100 117.863 117.863 118.111 -0.248 25469 7688 1 13 . 1 1 100 100 SER HA H 100 4.449 4.449 4.332 0.117 25469 7689 1 13 . 1 1 100 100 SER C C 100 174.556 174.556 174.720 -0.164 25469 7690 1 13 . 1 1 100 100 SER CA C 100 57.985 57.985 59.362 -1.377 25469 7691 1 13 . 1 1 100 100 SER CB C 100 64.167 64.167 63.301 0.866 25469 7692 1 13 . 1 1 100 100 SER H H 100 8.516 8.516 8.555 -0.039 25469 7693 1 13 . 1 1 101 101 ALA N N 101 126.048 126.048 121.167 4.881 25469 7694 1 13 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.047 0.210 25469 7695 1 13 . 1 1 101 101 ALA C C 101 178.047 178.047 176.512 1.535 25469 7696 1 13 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.490 -0.142 25469 7697 1 13 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.044 0.901 25469 7698 1 13 . 1 1 101 101 ALA H H 101 8.538 8.538 8.041 0.497 25469 7699 1 13 . 1 1 102 102 ALA N N 102 121.566 121.566 119.514 2.052 25469 7700 1 13 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.615 -0.390 25469 7701 1 13 . 1 1 102 102 ALA C C 102 178.254 178.254 178.094 0.160 25469 7702 1 13 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.149 0.896 25469 7703 1 13 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.498 -0.455 25469 7704 1 13 . 1 1 102 102 ALA H H 102 8.212 8.212 8.133 0.079 25469 7705 1 13 . 1 1 103 103 GLU N N 103 118.735 118.735 117.381 1.354 25469 7706 1 13 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.164 0.037 25469 7707 1 13 . 1 1 103 103 GLU C C 103 176.516 176.516 176.542 -0.026 25469 7708 1 13 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.594 -1.938 25469 7709 1 13 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.021 1.206 25469 7710 1 13 . 1 1 103 103 GLU H H 103 8.071 8.071 8.800 -0.729 25469 7711 1 13 . 1 1 104 104 MET N N 104 120.106 120.106 118.146 1.960 25469 7712 1 13 . 1 1 104 104 MET HA H 104 4.326 4.326 4.424 -0.098 25469 7713 1 13 . 1 1 104 104 MET C C 104 175.862 175.862 175.536 0.326 25469 7714 1 13 . 1 1 104 104 MET CA C 104 55.939 55.939 55.522 0.417 25469 7715 1 13 . 1 1 104 104 MET CB C 104 32.999 32.999 32.535 0.464 25469 7716 1 13 . 1 1 104 104 MET H H 104 8.073 8.073 7.646 0.427 25469 7717 1 13 . 1 1 105 105 TYR N N 105 120.285 120.285 116.715 3.570 25469 7718 1 13 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.675 -0.022 25469 7719 1 13 . 1 1 105 105 TYR C C 105 175.319 175.319 176.473 -1.154 25469 7720 1 13 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.947 -0.352 25469 7721 1 13 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.486 -0.547 25469 7722 1 13 . 1 1 105 105 TYR H H 105 8.126 8.126 7.814 0.312 25469 7723 1 14 . 1 1 3 3 SER HA H 3 4.553 4.553 4.537 0.016 25469 7724 1 14 . 1 1 3 3 SER C C 3 173.408 173.408 174.885 -1.477 25469 7725 1 14 . 1 1 3 3 SER CA C 3 58.273 58.273 57.455 0.818 25469 7726 1 14 . 1 1 3 3 SER CB C 3 63.940 63.940 63.971 -0.031 25469 7727 1 14 . 1 1 4 4 ASN N N 4 120.235 120.235 119.650 0.585 25469 7728 1 14 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.920 0.297 25469 7729 1 14 . 1 1 4 4 ASN C C 4 176.243 176.243 174.386 1.857 25469 7730 1 14 . 1 1 4 4 ASN CA C 4 53.044 53.044 52.971 0.073 25469 7731 1 14 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.567 0.165 25469 7732 1 14 . 1 1 4 4 ASN H H 4 8.774 8.774 8.657 0.117 25469 7733 1 14 . 1 1 5 5 VAL N N 5 122.554 122.554 119.085 3.469 25469 7734 1 14 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.272 -0.503 25469 7735 1 14 . 1 1 5 5 VAL C C 5 177.223 177.223 175.454 1.769 25469 7736 1 14 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.406 3.405 25469 7737 1 14 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.864 -1.990 25469 7738 1 14 . 1 1 5 5 VAL H H 5 8.315 8.315 7.488 0.827 25469 7739 1 14 . 1 1 6 6 THR N N 6 118.503 118.503 115.095 3.408 25469 7740 1 14 . 1 1 6 6 THR HA H 6 4.678 4.678 4.420 0.258 25469 7741 1 14 . 1 1 6 6 THR C C 6 174.350 174.350 173.260 1.090 25469 7742 1 14 . 1 1 6 6 THR CA C 6 60.560 60.560 61.230 -0.670 25469 7743 1 14 . 1 1 6 6 THR CB C 6 69.833 69.833 69.854 -0.021 25469 7744 1 14 . 1 1 6 6 THR H H 6 9.394 9.394 8.423 0.971 25469 7745 1 14 . 1 1 7 7 ASN N N 7 120.872 120.872 119.546 1.326 25469 7746 1 14 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.636 -0.080 25469 7747 1 14 . 1 1 7 7 ASN C C 7 176.866 176.866 173.969 2.897 25469 7748 1 14 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.953 -1.056 25469 7749 1 14 . 1 1 7 7 ASN CB C 7 38.082 38.082 39.049 -0.967 25469 7750 1 14 . 1 1 7 7 ASN H H 7 7.976 7.976 7.983 -0.007 25469 7751 1 14 . 1 1 8 8 LYS N N 8 121.728 121.728 123.757 -2.029 25469 7752 1 14 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.620 -0.364 25469 7753 1 14 . 1 1 8 8 LYS C C 8 180.142 180.142 175.409 4.733 25469 7754 1 14 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.598 2.602 25469 7755 1 14 . 1 1 8 8 LYS CB C 8 32.292 32.292 36.063 -3.772 25469 7756 1 14 . 1 1 8 8 LYS H H 8 8.572 8.572 8.122 0.450 25469 7757 1 14 . 1 1 9 9 THR N N 9 110.858 110.858 110.517 0.341 25469 7758 1 14 . 1 1 9 9 THR HA H 9 4.463 4.463 4.456 0.007 25469 7759 1 14 . 1 1 9 9 THR C C 9 174.485 174.485 173.585 0.900 25469 7760 1 14 . 1 1 9 9 THR CA C 9 61.246 61.246 61.233 0.014 25469 7761 1 14 . 1 1 9 9 THR CB C 9 69.039 69.039 69.477 -0.438 25469 7762 1 14 . 1 1 9 9 THR H H 9 8.691 8.691 8.618 0.073 25469 7763 1 14 . 1 1 10 10 ASP N N 10 121.014 121.014 123.644 -2.630 25469 7764 1 14 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.750 0.075 25469 7765 1 14 . 1 1 10 10 ASP C C 10 173.946 173.946 176.659 -2.713 25469 7766 1 14 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.282 -0.718 25469 7767 1 14 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.276 -1.675 25469 7768 1 14 . 1 1 10 10 ASP H H 10 7.907 7.907 7.954 -0.047 25469 7769 1 14 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.419 -0.264 25469 7770 1 14 . 1 1 11 11 PRO C C 11 178.421 178.421 176.387 2.034 25469 7771 1 14 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.468 1.773 25469 7772 1 14 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.066 0.132 25469 7773 1 14 . 1 1 12 12 ARG N N 12 116.361 116.361 116.516 -0.155 25469 7774 1 14 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.602 -0.510 25469 7775 1 14 . 1 1 12 12 ARG C C 12 180.446 180.446 176.860 3.586 25469 7776 1 14 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.464 2.071 25469 7777 1 14 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.357 -2.107 25469 7778 1 14 . 1 1 12 12 ARG H H 12 7.940 7.940 8.057 -0.117 25469 7779 1 14 . 1 1 13 13 SER N N 13 119.379 119.379 116.039 3.340 25469 7780 1 14 . 1 1 13 13 SER HA H 13 4.052 4.052 4.474 -0.422 25469 7781 1 14 . 1 1 13 13 SER C C 13 178.762 178.762 175.316 3.446 25469 7782 1 14 . 1 1 13 13 SER CA C 13 61.529 61.529 61.613 -0.084 25469 7783 1 14 . 1 1 13 13 SER CB C 13 61.778 61.778 63.361 -1.583 25469 7784 1 14 . 1 1 13 13 SER H H 13 8.143 8.143 8.280 -0.137 25469 7785 1 14 . 1 1 14 14 MET N N 14 120.327 120.327 114.053 6.274 25469 7786 1 14 . 1 1 14 14 MET HA H 14 4.097 4.097 4.554 -0.457 25469 7787 1 14 . 1 1 14 14 MET C C 14 178.576 178.576 175.515 3.061 25469 7788 1 14 . 1 1 14 14 MET CA C 14 58.293 58.293 56.444 1.849 25469 7789 1 14 . 1 1 14 14 MET CB C 14 31.813 31.813 32.831 -1.018 25469 7790 1 14 . 1 1 14 14 MET H H 14 8.238 8.238 7.534 0.704 25469 7791 1 14 . 1 1 15 15 ASN N N 15 115.378 115.378 117.350 -1.972 25469 7792 1 14 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.859 -0.234 25469 7793 1 14 . 1 1 15 15 ASN C C 15 172.556 172.556 176.625 -4.069 25469 7794 1 14 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.189 -0.160 25469 7795 1 14 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.738 -2.088 25469 7796 1 14 . 1 1 15 15 ASN H H 15 7.968 7.968 7.574 0.394 25469 7797 1 14 . 1 1 16 16 SER N N 16 106.215 106.215 115.006 -8.791 25469 7798 1 14 . 1 1 16 16 SER HA H 16 4.495 4.495 4.646 -0.151 25469 7799 1 14 . 1 1 16 16 SER C C 16 172.121 172.121 174.023 -1.902 25469 7800 1 14 . 1 1 16 16 SER CA C 16 56.785 56.785 58.961 -2.176 25469 7801 1 14 . 1 1 16 16 SER CB C 16 63.428 63.428 63.636 -0.208 25469 7802 1 14 . 1 1 16 16 SER H H 16 7.253 7.253 7.814 -0.561 25469 7803 1 14 . 1 1 17 17 ARG N N 17 123.348 123.348 122.864 0.484 25469 7804 1 14 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.230 0.362 25469 7805 1 14 . 1 1 17 17 ARG C C 17 174.491 174.491 174.666 -0.175 25469 7806 1 14 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.429 -1.050 25469 7807 1 14 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.187 -0.278 25469 7808 1 14 . 1 1 17 17 ARG H H 17 7.405 7.405 7.539 -0.134 25469 7809 1 14 . 1 1 18 18 VAL N N 18 122.328 122.328 122.819 -0.491 25469 7810 1 14 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.632 0.077 25469 7811 1 14 . 1 1 18 18 VAL C C 18 174.863 174.863 174.213 0.650 25469 7812 1 14 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.241 -0.584 25469 7813 1 14 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.401 -1.099 25469 7814 1 14 . 1 1 18 18 VAL H H 18 9.260 9.260 8.957 0.302 25469 7815 1 14 . 1 1 19 19 PHE N N 19 126.010 126.010 128.850 -2.840 25469 7816 1 14 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.312 0.154 25469 7817 1 14 . 1 1 19 19 PHE C C 19 171.967 171.967 173.543 -1.576 25469 7818 1 14 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.462 1.647 25469 7819 1 14 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.149 -0.126 25469 7820 1 14 . 1 1 19 19 PHE H H 19 9.159 9.159 9.322 -0.163 25469 7821 1 14 . 1 1 20 20 ILE N N 20 126.422 126.422 127.650 -1.228 25469 7822 1 14 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.065 -0.204 25469 7823 1 14 . 1 1 20 20 ILE C C 20 173.050 173.050 174.375 -1.325 25469 7824 1 14 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.924 -0.576 25469 7825 1 14 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.094 1.106 25469 7826 1 14 . 1 1 20 20 ILE H H 20 7.716 7.716 8.332 -0.616 25469 7827 1 14 . 1 1 21 21 GLY N N 21 113.182 113.182 111.551 1.631 25469 7828 1 14 . 1 1 21 21 GLY C C 21 173.769 173.769 173.821 -0.052 25469 7829 1 14 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.129 0.731 25469 7830 1 14 . 1 1 21 21 GLY H H 21 8.550 8.550 7.827 0.723 25469 7831 1 14 . 1 1 22 22 ASN N N 22 116.072 116.072 115.603 0.469 25469 7832 1 14 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.350 -0.003 25469 7833 1 14 . 1 1 22 22 ASN C C 22 174.205 174.205 173.855 0.350 25469 7834 1 14 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.721 -0.288 25469 7835 1 14 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.708 1.118 25469 7836 1 14 . 1 1 22 22 ASN H H 22 7.291 7.291 8.634 -1.343 25469 7837 1 14 . 1 1 23 23 LEU N N 23 118.873 118.873 118.884 -0.011 25469 7838 1 14 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.696 -0.768 25469 7839 1 14 . 1 1 23 23 LEU C C 23 176.551 176.551 176.170 0.381 25469 7840 1 14 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.285 -0.619 25469 7841 1 14 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.495 -0.146 25469 7842 1 14 . 1 1 23 23 LEU H H 23 7.279 7.279 8.039 -0.760 25469 7843 1 14 . 1 1 24 24 ASN N N 24 124.260 124.260 122.571 1.689 25469 7844 1 14 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.475 0.284 25469 7845 1 14 . 1 1 24 24 ASN C C 24 175.831 175.831 175.528 0.303 25469 7846 1 14 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.546 -3.906 25469 7847 1 14 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.384 -2.829 25469 7848 1 14 . 1 1 24 24 ASN H H 24 9.075 9.075 8.801 0.274 25469 7849 1 14 . 1 1 25 25 THR N N 25 118.101 118.101 106.966 11.135 25469 7850 1 14 . 1 1 25 25 THR HA H 25 4.377 4.377 4.175 0.202 25469 7851 1 14 . 1 1 25 25 THR C C 25 175.286 175.286 174.174 1.112 25469 7852 1 14 . 1 1 25 25 THR CA C 25 63.324 63.324 63.776 -0.452 25469 7853 1 14 . 1 1 25 25 THR CB C 25 67.439 67.439 67.608 -0.169 25469 7854 1 14 . 1 1 25 25 THR H H 25 8.226 8.226 8.060 0.166 25469 7855 1 14 . 1 1 26 26 LEU N N 26 121.285 121.285 118.760 2.525 25469 7856 1 14 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.433 -0.122 25469 7857 1 14 . 1 1 26 26 LEU C C 26 178.244 178.244 176.798 1.446 25469 7858 1 14 . 1 1 26 26 LEU CA C 26 57.314 57.314 55.572 1.742 25469 7859 1 14 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.510 -1.182 25469 7860 1 14 . 1 1 26 26 LEU H H 26 7.670 7.670 7.703 -0.033 25469 7861 1 14 . 1 1 27 27 VAL N N 27 114.562 114.562 116.026 -1.464 25469 7862 1 14 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.218 -0.171 25469 7863 1 14 . 1 1 27 27 VAL C C 27 175.200 175.200 175.312 -0.112 25469 7864 1 14 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.409 0.622 25469 7865 1 14 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.843 2.339 25469 7866 1 14 . 1 1 27 27 VAL H H 27 6.790 6.790 7.493 -0.703 25469 7867 1 14 . 1 1 28 28 VAL N N 28 121.996 121.996 121.108 0.888 25469 7868 1 14 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.173 -0.314 25469 7869 1 14 . 1 1 28 28 VAL C C 28 174.352 174.352 174.414 -0.062 25469 7870 1 14 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.371 1.821 25469 7871 1 14 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.138 -1.197 25469 7872 1 14 . 1 1 28 28 VAL H H 28 8.276 8.276 7.751 0.525 25469 7873 1 14 . 1 1 29 29 LYS N N 29 124.228 124.228 125.461 -1.233 25469 7874 1 14 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.726 -0.124 25469 7875 1 14 . 1 1 29 29 LYS C C 29 177.959 177.959 176.888 1.071 25469 7876 1 14 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.344 -0.698 25469 7877 1 14 . 1 1 29 29 LYS CB C 29 34.395 34.395 36.054 -1.659 25469 7878 1 14 . 1 1 29 29 LYS H H 29 8.925 8.925 8.069 0.856 25469 7879 1 14 . 1 1 30 30 LYS N N 30 123.350 123.350 120.927 2.423 25469 7880 1 14 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.064 -0.410 25469 7881 1 14 . 1 1 30 30 LYS C C 30 177.639 177.639 176.944 0.695 25469 7882 1 14 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.543 2.857 25469 7883 1 14 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.793 0.856 25469 7884 1 14 . 1 1 30 30 LYS H H 30 8.993 8.993 8.769 0.224 25469 7885 1 14 . 1 1 31 31 SER N N 31 111.465 111.465 111.525 -0.060 25469 7886 1 14 . 1 1 31 31 SER HA H 31 4.167 4.167 4.764 -0.597 25469 7887 1 14 . 1 1 31 31 SER C C 31 177.617 177.617 174.822 2.795 25469 7888 1 14 . 1 1 31 31 SER CA C 31 61.389 61.389 58.479 2.910 25469 7889 1 14 . 1 1 31 31 SER CB C 31 61.533 61.533 63.895 -2.362 25469 7890 1 14 . 1 1 31 31 SER H H 31 8.669 8.669 8.018 0.651 25469 7891 1 14 . 1 1 32 32 ASP N N 32 122.187 122.187 122.303 -0.116 25469 7892 1 14 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.818 -0.298 25469 7893 1 14 . 1 1 32 32 ASP C C 32 178.194 178.194 178.412 -0.218 25469 7894 1 14 . 1 1 32 32 ASP CA C 32 57.188 57.188 56.117 1.071 25469 7895 1 14 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.176 -0.329 25469 7896 1 14 . 1 1 32 32 ASP H H 32 7.141 7.141 8.042 -0.901 25469 7897 1 14 . 1 1 33 33 VAL N N 33 120.138 120.138 119.880 0.258 25469 7898 1 14 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.964 -0.503 25469 7899 1 14 . 1 1 33 33 VAL C C 33 178.624 178.624 176.651 1.973 25469 7900 1 14 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.767 0.607 25469 7901 1 14 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.714 -0.429 25469 7902 1 14 . 1 1 33 33 VAL H H 33 7.956 7.956 8.117 -0.161 25469 7903 1 14 . 1 1 34 34 GLU N N 34 118.717 118.717 116.098 2.619 25469 7904 1 14 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.211 -0.457 25469 7905 1 14 . 1 1 34 34 GLU C C 34 178.701 178.701 175.863 2.838 25469 7906 1 14 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.411 3.094 25469 7907 1 14 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.804 0.540 25469 7908 1 14 . 1 1 34 34 GLU H H 34 8.637 8.637 8.588 0.049 25469 7909 1 14 . 1 1 35 35 ALA N N 35 121.541 121.541 120.255 1.286 25469 7910 1 14 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.605 -0.456 25469 7911 1 14 . 1 1 35 35 ALA C C 35 180.483 180.483 177.616 2.867 25469 7912 1 14 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.872 2.644 25469 7913 1 14 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.311 -2.263 25469 7914 1 14 . 1 1 35 35 ALA H H 35 7.823 7.823 7.798 0.025 25469 7915 1 14 . 1 1 36 36 ILE N N 36 117.449 117.449 117.849 -0.400 25469 7916 1 14 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.139 -0.476 25469 7917 1 14 . 1 1 36 36 ILE C C 36 178.665 178.665 176.630 2.035 25469 7918 1 14 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.943 1.868 25469 7919 1 14 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.359 0.431 25469 7920 1 14 . 1 1 36 36 ILE H H 36 7.773 7.773 7.570 0.203 25469 7921 1 14 . 1 1 37 37 PHE N N 37 113.524 113.524 117.405 -3.881 25469 7922 1 14 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.956 -0.598 25469 7923 1 14 . 1 1 37 37 PHE C C 37 179.593 179.593 177.696 1.897 25469 7924 1 14 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.350 3.330 25469 7925 1 14 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.299 -3.089 25469 7926 1 14 . 1 1 37 37 PHE H H 37 8.566 8.566 8.258 0.308 25469 7927 1 14 . 1 1 38 38 SER N N 38 122.025 122.025 115.000 7.025 25469 7928 1 14 . 1 1 38 38 SER HA H 38 4.821 4.821 4.690 0.131 25469 7929 1 14 . 1 1 38 38 SER C C 38 175.439 175.439 175.413 0.026 25469 7930 1 14 . 1 1 38 38 SER CA C 38 61.519 61.519 59.870 1.649 25469 7931 1 14 . 1 1 38 38 SER CB C 38 62.765 62.765 62.869 -0.104 25469 7932 1 14 . 1 1 38 38 SER H H 38 8.834 8.834 8.558 0.276 25469 7933 1 14 . 1 1 39 39 LYS N N 39 119.387 119.387 117.684 1.703 25469 7934 1 14 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.086 -0.125 25469 7935 1 14 . 1 1 39 39 LYS C C 39 177.064 177.064 176.308 0.756 25469 7936 1 14 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.517 0.762 25469 7937 1 14 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.551 0.035 25469 7938 1 14 . 1 1 39 39 LYS H H 39 7.054 7.054 7.985 -0.931 25469 7939 1 14 . 1 1 40 40 TYR N N 40 114.433 114.433 118.276 -3.843 25469 7940 1 14 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.559 -0.282 25469 7941 1 14 . 1 1 40 40 TYR C C 40 174.842 174.842 174.606 0.236 25469 7942 1 14 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.355 0.495 25469 7943 1 14 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.359 -1.932 25469 7944 1 14 . 1 1 40 40 TYR H H 40 6.956 6.956 7.393 -0.437 25469 7945 1 14 . 1 1 41 41 GLY N N 41 106.514 106.514 104.771 1.743 25469 7946 1 14 . 1 1 41 41 GLY C C 41 170.573 170.573 171.776 -1.203 25469 7947 1 14 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.875 -0.319 25469 7948 1 14 . 1 1 41 41 GLY H H 41 7.428 7.428 7.336 0.092 25469 7949 1 14 . 1 1 42 42 LYS N N 42 117.788 117.788 121.990 -4.202 25469 7950 1 14 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.366 -0.169 25469 7951 1 14 . 1 1 42 42 LYS C C 42 176.536 176.536 176.033 0.503 25469 7952 1 14 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.507 0.629 25469 7953 1 14 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.959 0.008 25469 7954 1 14 . 1 1 42 42 LYS H H 42 8.034 8.034 8.437 -0.403 25469 7955 1 14 . 1 1 43 43 ILE N N 43 127.104 127.104 127.281 -0.177 25469 7956 1 14 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.491 -0.467 25469 7957 1 14 . 1 1 43 43 ILE C C 43 176.993 176.993 176.510 0.483 25469 7958 1 14 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.806 -0.426 25469 7959 1 14 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.703 0.210 25469 7960 1 14 . 1 1 43 43 ILE H H 43 8.711 8.711 8.639 0.072 25469 7961 1 14 . 1 1 44 44 VAL N N 44 121.993 121.993 120.754 1.239 25469 7962 1 14 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.482 -0.118 25469 7963 1 14 . 1 1 44 44 VAL C C 44 176.853 176.853 175.089 1.764 25469 7964 1 14 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.141 0.717 25469 7965 1 14 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.109 -0.557 25469 7966 1 14 . 1 1 44 44 VAL H H 44 8.711 8.711 8.773 -0.062 25469 7967 1 14 . 1 1 45 45 GLY N N 45 109.507 109.507 107.335 2.172 25469 7968 1 14 . 1 1 45 45 GLY C C 45 171.266 171.266 171.724 -0.458 25469 7969 1 14 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.643 -0.634 25469 7970 1 14 . 1 1 45 45 GLY H H 45 7.530 7.530 7.422 0.108 25469 7971 1 14 . 1 1 46 46 CYS N N 46 124.546 124.546 120.626 3.920 25469 7972 1 14 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.462 -0.431 25469 7973 1 14 . 1 1 46 46 CYS C C 46 172.073 172.073 172.402 -0.329 25469 7974 1 14 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.831 0.132 25469 7975 1 14 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.330 -2.988 25469 7976 1 14 . 1 1 46 46 CYS H H 46 8.982 8.982 9.181 -0.199 25469 7977 1 14 . 1 1 47 47 SER N N 47 122.933 122.933 119.242 3.691 25469 7978 1 14 . 1 1 47 47 SER HA H 47 4.908 4.908 4.929 -0.021 25469 7979 1 14 . 1 1 47 47 SER C C 47 171.849 171.849 172.168 -0.319 25469 7980 1 14 . 1 1 47 47 SER CA C 47 56.585 56.585 57.045 -0.460 25469 7981 1 14 . 1 1 47 47 SER CB C 47 65.733 65.733 65.025 0.708 25469 7982 1 14 . 1 1 47 47 SER H H 47 8.569 8.569 8.950 -0.381 25469 7983 1 14 . 1 1 48 48 VAL N N 48 121.588 121.588 124.178 -2.590 25469 7984 1 14 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.233 -0.095 25469 7985 1 14 . 1 1 48 48 VAL C C 48 173.991 173.991 174.361 -0.370 25469 7986 1 14 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.324 0.986 25469 7987 1 14 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.302 -0.378 25469 7988 1 14 . 1 1 48 48 VAL H H 48 8.565 8.565 8.231 0.334 25469 7989 1 14 . 1 1 49 49 HIS N N 49 130.308 130.308 123.832 6.476 25469 7990 1 14 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.743 -0.311 25469 7991 1 14 . 1 1 49 49 HIS C C 49 173.950 173.950 173.664 0.286 25469 7992 1 14 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.330 0.321 25469 7993 1 14 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.193 -0.640 25469 7994 1 14 . 1 1 49 49 HIS H H 49 8.441 8.441 8.819 -0.378 25469 7995 1 14 . 1 1 50 50 LYS N N 50 121.937 121.937 120.872 1.065 25469 7996 1 14 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.046 0.414 25469 7997 1 14 . 1 1 50 50 LYS C C 50 175.528 175.528 177.235 -1.707 25469 7998 1 14 . 1 1 50 50 LYS CA C 50 56.289 56.289 55.705 0.584 25469 7999 1 14 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.545 -1.067 25469 8000 1 14 . 1 1 50 50 LYS H H 50 7.926 7.926 8.085 -0.159 25469 8001 1 14 . 1 1 51 51 GLY N N 51 114.868 114.868 113.826 1.042 25469 8002 1 14 . 1 1 51 51 GLY C C 51 174.253 174.253 172.843 1.410 25469 8003 1 14 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.056 -0.536 25469 8004 1 14 . 1 1 51 51 GLY H H 51 8.644 8.644 8.745 -0.101 25469 8005 1 14 . 1 1 52 52 PHE N N 52 112.790 112.790 115.516 -2.726 25469 8006 1 14 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.665 -0.417 25469 8007 1 14 . 1 1 52 52 PHE C C 52 171.606 171.606 172.917 -1.311 25469 8008 1 14 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.316 0.914 25469 8009 1 14 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.571 -0.526 25469 8010 1 14 . 1 1 52 52 PHE H H 52 7.005 7.005 7.216 -0.211 25469 8011 1 14 . 1 1 53 53 ALA N N 53 119.858 119.858 119.647 0.211 25469 8012 1 14 . 1 1 53 53 ALA HA H 53 4.835 4.835 5.044 -0.209 25469 8013 1 14 . 1 1 53 53 ALA C C 53 173.030 173.030 174.556 -1.526 25469 8014 1 14 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.043 -0.697 25469 8015 1 14 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.544 2.189 25469 8016 1 14 . 1 1 53 53 ALA H H 53 8.724 8.724 8.533 0.191 25469 8017 1 14 . 1 1 54 54 PHE N N 54 112.158 112.158 116.058 -3.900 25469 8018 1 14 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.633 -0.053 25469 8019 1 14 . 1 1 54 54 PHE C C 54 175.765 175.765 174.179 1.586 25469 8020 1 14 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.070 -0.466 25469 8021 1 14 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.461 -0.167 25469 8022 1 14 . 1 1 54 54 PHE H H 54 8.764 8.764 9.176 -0.412 25469 8023 1 14 . 1 1 55 55 VAL N N 55 118.628 118.628 121.163 -2.535 25469 8024 1 14 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.512 -0.300 25469 8025 1 14 . 1 1 55 55 VAL C C 55 172.807 172.807 173.667 -0.860 25469 8026 1 14 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.083 0.794 25469 8027 1 14 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.747 -0.794 25469 8028 1 14 . 1 1 55 55 VAL H H 55 8.310 8.310 8.826 -0.516 25469 8029 1 14 . 1 1 56 56 GLN N N 56 128.402 128.402 124.599 3.803 25469 8030 1 14 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.731 -0.166 25469 8031 1 14 . 1 1 56 56 GLN C C 56 173.894 173.894 174.232 -0.338 25469 8032 1 14 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.888 0.325 25469 8033 1 14 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.834 0.272 25469 8034 1 14 . 1 1 56 56 GLN H H 56 9.253 9.253 8.923 0.330 25469 8035 1 14 . 1 1 57 57 TYR N N 57 127.617 127.617 124.075 3.542 25469 8036 1 14 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.388 -0.107 25469 8037 1 14 . 1 1 57 57 TYR C C 57 175.610 175.610 176.870 -1.260 25469 8038 1 14 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.457 2.234 25469 8039 1 14 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.890 -0.821 25469 8040 1 14 . 1 1 57 57 TYR H H 57 8.919 8.919 8.941 -0.022 25469 8041 1 14 . 1 1 58 58 VAL N N 58 116.705 116.705 118.730 -2.025 25469 8042 1 14 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.877 0.236 25469 8043 1 14 . 1 1 58 58 VAL C C 58 175.860 175.860 175.751 0.109 25469 8044 1 14 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.524 -0.495 25469 8045 1 14 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.199 0.850 25469 8046 1 14 . 1 1 58 58 VAL H H 58 9.458 9.458 8.795 0.663 25469 8047 1 14 . 1 1 59 59 ASN N N 59 112.563 112.563 113.679 -1.116 25469 8048 1 14 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.841 0.309 25469 8049 1 14 . 1 1 59 59 ASN C C 59 174.483 174.483 174.662 -0.179 25469 8050 1 14 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.397 -0.445 25469 8051 1 14 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.006 2.171 25469 8052 1 14 . 1 1 59 59 ASN H H 59 7.230 7.230 7.430 -0.200 25469 8053 1 14 . 1 1 60 60 GLU N N 60 124.320 124.320 119.782 4.538 25469 8054 1 14 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.200 0.115 25469 8055 1 14 . 1 1 60 60 GLU C C 60 178.202 178.202 177.810 0.392 25469 8056 1 14 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.499 -0.719 25469 8057 1 14 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.719 0.659 25469 8058 1 14 . 1 1 60 60 GLU H H 60 8.807 8.807 8.912 -0.105 25469 8059 1 14 . 1 1 61 61 ARG N N 61 118.347 118.347 118.995 -0.648 25469 8060 1 14 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.040 -0.050 25469 8061 1 14 . 1 1 61 61 ARG C C 61 179.341 179.341 178.524 0.817 25469 8062 1 14 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.561 0.906 25469 8063 1 14 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.762 -0.360 25469 8064 1 14 . 1 1 61 61 ARG H H 61 8.620 8.620 8.333 0.287 25469 8065 1 14 . 1 1 62 62 ASN N N 62 118.085 118.085 117.259 0.826 25469 8066 1 14 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.324 -0.047 25469 8067 1 14 . 1 1 62 62 ASN C C 62 174.852 174.852 176.545 -1.693 25469 8068 1 14 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.240 0.225 25469 8069 1 14 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.179 0.828 25469 8070 1 14 . 1 1 62 62 ASN H H 62 7.781 7.781 7.958 -0.177 25469 8071 1 14 . 1 1 63 63 ALA N N 63 119.580 119.580 122.907 -3.327 25469 8072 1 14 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.447 -0.699 25469 8073 1 14 . 1 1 63 63 ALA C C 63 178.862 178.862 179.368 -0.506 25469 8074 1 14 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.766 0.195 25469 8075 1 14 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.736 -0.195 25469 8076 1 14 . 1 1 63 63 ALA H H 63 6.775 6.775 7.290 -0.515 25469 8077 1 14 . 1 1 64 64 ARG N N 64 114.991 114.991 118.337 -3.346 25469 8078 1 14 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.170 -0.330 25469 8079 1 14 . 1 1 64 64 ARG C C 64 179.776 179.776 178.642 1.134 25469 8080 1 14 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.851 2.331 25469 8081 1 14 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.662 -0.415 25469 8082 1 14 . 1 1 64 64 ARG H H 64 8.737 8.737 8.385 0.352 25469 8083 1 14 . 1 1 65 65 ALA N N 65 123.698 123.698 121.456 2.242 25469 8084 1 14 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.287 -0.160 25469 8085 1 14 . 1 1 65 65 ALA C C 65 179.561 179.561 178.591 0.970 25469 8086 1 14 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.540 0.408 25469 8087 1 14 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.344 -0.453 25469 8088 1 14 . 1 1 65 65 ALA H H 65 7.820 7.820 7.559 0.261 25469 8089 1 14 . 1 1 66 66 ALA N N 66 123.811 123.811 120.162 3.649 25469 8090 1 14 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.729 -1.662 25469 8091 1 14 . 1 1 66 66 ALA C C 66 179.260 179.260 179.215 0.045 25469 8092 1 14 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.471 -0.162 25469 8093 1 14 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.134 0.174 25469 8094 1 14 . 1 1 66 66 ALA H H 66 7.538 7.538 7.506 0.032 25469 8095 1 14 . 1 1 67 67 VAL N N 67 116.571 116.571 118.228 -1.657 25469 8096 1 14 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.695 -0.340 25469 8097 1 14 . 1 1 67 67 VAL C C 67 177.744 177.744 177.561 0.183 25469 8098 1 14 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.773 -0.243 25469 8099 1 14 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.649 0.318 25469 8100 1 14 . 1 1 67 67 VAL H H 67 7.612 7.612 8.318 -0.706 25469 8101 1 14 . 1 1 68 68 ALA N N 68 118.239 118.239 120.441 -2.202 25469 8102 1 14 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.348 -0.227 25469 8103 1 14 . 1 1 68 68 ALA C C 68 180.749 180.749 178.180 2.569 25469 8104 1 14 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.524 0.828 25469 8105 1 14 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.635 -0.538 25469 8106 1 14 . 1 1 68 68 ALA H H 68 7.549 7.549 7.527 0.022 25469 8107 1 14 . 1 1 69 69 GLY N N 69 103.748 103.748 105.136 -1.388 25469 8108 1 14 . 1 1 69 69 GLY C C 69 175.627 175.627 174.842 0.785 25469 8109 1 14 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.028 1.058 25469 8110 1 14 . 1 1 69 69 GLY H H 69 8.135 8.135 7.320 0.815 25469 8111 1 14 . 1 1 70 70 GLU N N 70 114.571 114.571 116.234 -1.663 25469 8112 1 14 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.349 0.283 25469 8113 1 14 . 1 1 70 70 GLU C C 70 176.392 176.392 174.973 1.419 25469 8114 1 14 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.934 -0.736 25469 8115 1 14 . 1 1 70 70 GLU CB C 70 31.372 31.372 32.020 -0.648 25469 8116 1 14 . 1 1 70 70 GLU H H 70 7.653 7.653 7.606 0.047 25469 8117 1 14 . 1 1 71 71 ASP N N 71 118.127 118.127 121.174 -3.047 25469 8118 1 14 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.360 -0.075 25469 8119 1 14 . 1 1 71 71 ASP C C 71 178.699 178.699 177.036 1.663 25469 8120 1 14 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.963 1.579 25469 8121 1 14 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.194 1.176 25469 8122 1 14 . 1 1 71 71 ASP H H 71 8.026 8.026 7.576 0.450 25469 8123 1 14 . 1 1 72 72 GLY N N 72 114.353 114.353 113.696 0.657 25469 8124 1 14 . 1 1 72 72 GLY C C 72 173.792 173.792 174.373 -0.581 25469 8125 1 14 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.145 0.614 25469 8126 1 14 . 1 1 72 72 GLY H H 72 8.292 8.292 8.042 0.250 25469 8127 1 14 . 1 1 73 73 ARG N N 73 121.996 121.996 118.783 3.213 25469 8128 1 14 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.424 -0.238 25469 8129 1 14 . 1 1 73 73 ARG C C 73 175.188 175.188 174.744 0.444 25469 8130 1 14 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.944 1.532 25469 8131 1 14 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.210 0.109 25469 8132 1 14 . 1 1 73 73 ARG H H 73 7.981 7.981 7.890 0.091 25469 8133 1 14 . 1 1 74 74 MET N N 74 125.120 125.120 120.590 4.530 25469 8134 1 14 . 1 1 74 74 MET HA H 74 4.795 4.795 4.666 0.129 25469 8135 1 14 . 1 1 74 74 MET C C 74 175.727 175.727 174.840 0.887 25469 8136 1 14 . 1 1 74 74 MET CA C 74 55.054 55.054 54.722 0.332 25469 8137 1 14 . 1 1 74 74 MET CB C 74 33.076 33.076 34.298 -1.222 25469 8138 1 14 . 1 1 74 74 MET H H 74 8.710 8.710 8.334 0.376 25469 8139 1 14 . 1 1 75 75 ILE N N 75 127.530 127.530 125.761 1.769 25469 8140 1 14 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 8141 1 14 . 1 1 75 75 ILE C C 75 175.277 175.277 175.638 -0.361 25469 8142 1 14 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.578 -0.847 25469 8143 1 14 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.383 -0.976 25469 8144 1 14 . 1 1 75 75 ILE H H 75 8.583 8.583 8.769 -0.186 25469 8145 1 14 . 1 1 76 76 ALA N N 76 132.166 132.166 130.072 2.094 25469 8146 1 14 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.991 0.041 25469 8147 1 14 . 1 1 76 76 ALA C C 76 177.206 177.206 177.709 -0.503 25469 8148 1 14 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.273 -0.401 25469 8149 1 14 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.368 -0.120 25469 8150 1 14 . 1 1 76 76 ALA H H 76 9.540 9.540 9.044 0.496 25469 8151 1 14 . 1 1 77 77 GLY N N 77 101.685 101.685 102.792 -1.107 25469 8152 1 14 . 1 1 77 77 GLY C C 77 174.206 174.206 173.887 0.319 25469 8153 1 14 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.867 0.900 25469 8154 1 14 . 1 1 77 77 GLY H H 77 8.446 8.446 8.335 0.111 25469 8155 1 14 . 1 1 78 78 GLN N N 78 118.947 118.947 120.174 -1.227 25469 8156 1 14 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.658 0.073 25469 8157 1 14 . 1 1 78 78 GLN C C 78 174.047 174.047 174.803 -0.756 25469 8158 1 14 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.435 -0.174 25469 8159 1 14 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.685 0.419 25469 8160 1 14 . 1 1 78 78 GLN H H 78 7.708 7.708 8.122 -0.414 25469 8161 1 14 . 1 1 79 79 VAL N N 79 123.383 123.383 126.939 -3.556 25469 8162 1 14 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.457 -0.443 25469 8163 1 14 . 1 1 79 79 VAL C C 79 176.348 176.348 176.339 0.009 25469 8164 1 14 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.580 -0.912 25469 8165 1 14 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.267 -0.138 25469 8166 1 14 . 1 1 79 79 VAL H H 79 8.570 8.570 8.534 0.036 25469 8167 1 14 . 1 1 80 80 LEU N N 80 128.544 128.544 126.252 2.292 25469 8168 1 14 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.696 -0.388 25469 8169 1 14 . 1 1 80 80 LEU C C 80 176.522 176.522 176.249 0.273 25469 8170 1 14 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.398 2.503 25469 8171 1 14 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.837 -0.938 25469 8172 1 14 . 1 1 80 80 LEU H H 80 9.002 9.002 8.433 0.569 25469 8173 1 14 . 1 1 81 81 ASP N N 81 124.135 124.135 122.445 1.690 25469 8174 1 14 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.195 0.026 25469 8175 1 14 . 1 1 81 81 ASP C C 81 174.660 174.660 174.646 0.014 25469 8176 1 14 . 1 1 81 81 ASP CA C 81 52.987 52.987 52.547 0.439 25469 8177 1 14 . 1 1 81 81 ASP CB C 81 42.767 42.767 41.828 0.939 25469 8178 1 14 . 1 1 81 81 ASP H H 81 7.718 7.718 8.366 -0.648 25469 8179 1 14 . 1 1 82 82 ILE N N 82 123.344 123.344 125.344 -2.000 25469 8180 1 14 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.848 0.549 25469 8181 1 14 . 1 1 82 82 ILE C C 82 174.521 174.521 174.490 0.031 25469 8182 1 14 . 1 1 82 82 ILE CA C 82 59.134 59.134 60.005 -0.871 25469 8183 1 14 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.871 0.096 25469 8184 1 14 . 1 1 82 82 ILE H H 82 9.071 9.071 8.788 0.283 25469 8185 1 14 . 1 1 83 83 ASN N N 83 116.447 116.447 121.304 -4.857 25469 8186 1 14 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.029 -0.187 25469 8187 1 14 . 1 1 83 83 ASN C C 83 174.566 174.566 173.754 0.812 25469 8188 1 14 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.306 0.822 25469 8189 1 14 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.382 0.692 25469 8190 1 14 . 1 1 83 83 ASN H H 83 8.494 8.494 8.738 -0.244 25469 8191 1 14 . 1 1 84 84 LEU N N 84 123.786 123.786 123.991 -0.205 25469 8192 1 14 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.341 0.379 25469 8193 1 14 . 1 1 84 84 LEU C C 84 180.969 180.969 178.068 2.901 25469 8194 1 14 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.977 0.380 25469 8195 1 14 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.358 -1.039 25469 8196 1 14 . 1 1 84 84 LEU H H 84 9.414 9.414 8.901 0.513 25469 8197 1 14 . 1 1 85 85 ALA N N 85 127.577 127.577 128.970 -1.393 25469 8198 1 14 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.273 -0.225 25469 8199 1 14 . 1 1 85 85 ALA C C 85 177.932 177.932 176.557 1.375 25469 8200 1 14 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.447 1.902 25469 8201 1 14 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.001 -1.014 25469 8202 1 14 . 1 1 85 85 ALA H H 85 9.279 9.279 8.220 1.060 25469 8203 1 14 . 1 1 86 86 ALA N N 86 116.071 116.071 116.901 -0.830 25469 8204 1 14 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.399 0.012 25469 8205 1 14 . 1 1 86 86 ALA C C 86 176.153 176.153 176.419 -0.266 25469 8206 1 14 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.066 -0.337 25469 8207 1 14 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.582 -0.272 25469 8208 1 14 . 1 1 86 86 ALA H H 86 8.687 8.687 8.039 0.648 25469 8209 1 14 . 1 1 87 87 GLU N N 87 118.959 118.959 119.773 -0.814 25469 8210 1 14 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.635 0.101 25469 8211 1 14 . 1 1 87 87 GLU C C 87 171.677 171.677 173.715 -2.038 25469 8212 1 14 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.186 -0.014 25469 8213 1 14 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.143 -0.170 25469 8214 1 14 . 1 1 87 87 GLU H H 87 7.901 7.901 7.760 0.141 25469 8215 1 14 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.430 -0.087 25469 8216 1 14 . 1 1 88 88 PRO C C 88 177.303 177.303 177.534 -0.231 25469 8217 1 14 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.227 -0.309 25469 8218 1 14 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.520 -0.622 25469 8219 1 14 . 1 1 89 89 LYS N N 89 121.298 121.298 123.809 -2.511 25469 8220 1 14 . 1 1 89 89 LYS HA H 89 4.227 4.227 3.993 0.234 25469 8221 1 14 . 1 1 89 89 LYS C C 89 177.690 177.690 177.167 0.523 25469 8222 1 14 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.638 -1.836 25469 8223 1 14 . 1 1 89 89 LYS CB C 89 33.504 33.504 31.981 1.523 25469 8224 1 14 . 1 1 89 89 LYS H H 89 7.973 7.973 8.338 -0.365 25469 8225 1 14 . 1 1 90 90 VAL N N 90 120.788 120.788 116.928 3.860 25469 8226 1 14 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.125 -0.196 25469 8227 1 14 . 1 1 90 90 VAL C C 90 176.170 176.170 174.929 1.241 25469 8228 1 14 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.903 0.314 25469 8229 1 14 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.321 -0.975 25469 8230 1 14 . 1 1 90 90 VAL H H 90 8.216 8.216 7.976 0.240 25469 8231 1 14 . 1 1 91 91 ASN N N 91 119.438 119.438 117.033 2.405 25469 8232 1 14 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.973 -0.314 25469 8233 1 14 . 1 1 91 91 ASN C C 91 175.173 175.173 174.438 0.735 25469 8234 1 14 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.389 0.648 25469 8235 1 14 . 1 1 91 91 ASN CB C 91 38.167 38.167 39.927 -1.760 25469 8236 1 14 . 1 1 91 91 ASN H H 91 8.451 8.451 7.691 0.760 25469 8237 1 14 . 1 1 92 92 ARG N N 92 120.958 120.958 119.370 1.588 25469 8238 1 14 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.305 -0.068 25469 8239 1 14 . 1 1 92 92 ARG C C 92 177.002 177.002 177.697 -0.695 25469 8240 1 14 . 1 1 92 92 ARG CA C 92 56.644 56.644 57.071 -0.427 25469 8241 1 14 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.394 0.132 25469 8242 1 14 . 1 1 92 92 ARG H H 92 7.978 7.978 8.841 -0.863 25469 8243 1 14 . 1 1 93 93 GLY N N 93 110.275 110.275 107.485 2.790 25469 8244 1 14 . 1 1 93 93 GLY C C 93 174.246 174.246 174.774 -0.528 25469 8245 1 14 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.678 -0.294 25469 8246 1 14 . 1 1 93 93 GLY H H 93 8.604 8.604 8.178 0.426 25469 8247 1 14 . 1 1 94 94 LYS N N 94 120.750 120.750 118.239 2.511 25469 8248 1 14 . 1 1 94 94 LYS HA H 94 4.297 4.297 3.881 0.416 25469 8249 1 14 . 1 1 94 94 LYS C C 94 176.525 176.525 175.384 1.141 25469 8250 1 14 . 1 1 94 94 LYS CA C 94 56.044 56.044 57.609 -1.565 25469 8251 1 14 . 1 1 94 94 LYS CB C 94 33.025 33.025 31.767 1.258 25469 8252 1 14 . 1 1 94 94 LYS H H 94 8.113 8.113 8.280 -0.167 25469 8253 1 14 . 1 1 95 95 ALA N N 95 124.912 124.912 119.160 5.752 25469 8254 1 14 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.626 -0.327 25469 8255 1 14 . 1 1 95 95 ALA C C 95 178.325 178.325 176.506 1.819 25469 8256 1 14 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.285 1.467 25469 8257 1 14 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.894 -2.754 25469 8258 1 14 . 1 1 95 95 ALA H H 95 8.367 8.367 7.693 0.674 25469 8259 1 14 . 1 1 96 96 GLY N N 96 108.328 108.328 108.531 -0.203 25469 8260 1 14 . 1 1 96 96 GLY C C 96 174.096 174.096 175.039 -0.943 25469 8261 1 14 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.568 -0.327 25469 8262 1 14 . 1 1 96 96 GLY H H 96 8.390 8.390 8.721 -0.331 25469 8263 1 14 . 1 1 97 97 VAL N N 97 119.774 119.774 118.764 1.010 25469 8264 1 14 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.312 -0.235 25469 8265 1 14 . 1 1 97 97 VAL C C 97 176.156 176.156 175.385 0.771 25469 8266 1 14 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.611 0.688 25469 8267 1 14 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.887 -0.033 25469 8268 1 14 . 1 1 97 97 VAL H H 97 7.925 7.925 7.445 0.480 25469 8269 1 14 . 1 1 98 98 LYS N N 98 126.024 126.024 126.624 -0.600 25469 8270 1 14 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.582 -0.256 25469 8271 1 14 . 1 1 98 98 LYS C C 98 176.427 176.427 176.123 0.304 25469 8272 1 14 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.933 0.168 25469 8273 1 14 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.969 0.092 25469 8274 1 14 . 1 1 98 98 LYS H H 98 8.473 8.473 8.522 -0.049 25469 8275 1 14 . 1 1 99 99 ARG N N 99 123.644 123.644 119.420 4.224 25469 8276 1 14 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.537 -0.158 25469 8277 1 14 . 1 1 99 99 ARG C C 99 176.231 176.231 176.351 -0.120 25469 8278 1 14 . 1 1 99 99 ARG CA C 99 55.932 55.932 54.858 1.074 25469 8279 1 14 . 1 1 99 99 ARG CB C 99 31.267 31.267 33.205 -1.938 25469 8280 1 14 . 1 1 99 99 ARG H H 99 8.464 8.464 7.609 0.855 25469 8281 1 14 . 1 1 100 100 SER N N 100 117.863 117.863 116.505 1.358 25469 8282 1 14 . 1 1 100 100 SER HA H 100 4.449 4.449 4.367 0.082 25469 8283 1 14 . 1 1 100 100 SER C C 100 174.556 174.556 174.909 -0.353 25469 8284 1 14 . 1 1 100 100 SER CA C 100 57.985 57.985 60.129 -2.144 25469 8285 1 14 . 1 1 100 100 SER CB C 100 64.167 64.167 63.376 0.791 25469 8286 1 14 . 1 1 100 100 SER H H 100 8.516 8.516 9.124 -0.608 25469 8287 1 14 . 1 1 101 101 ALA N N 101 126.048 126.048 120.533 5.515 25469 8288 1 14 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.037 0.220 25469 8289 1 14 . 1 1 101 101 ALA C C 101 178.047 178.047 176.668 1.379 25469 8290 1 14 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.550 -0.202 25469 8291 1 14 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.704 1.240 25469 8292 1 14 . 1 1 101 101 ALA H H 101 8.538 8.538 8.284 0.254 25469 8293 1 14 . 1 1 102 102 ALA N N 102 121.566 121.566 119.528 2.038 25469 8294 1 14 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.620 -0.395 25469 8295 1 14 . 1 1 102 102 ALA C C 102 178.254 178.254 178.227 0.027 25469 8296 1 14 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.163 0.882 25469 8297 1 14 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.599 -0.556 25469 8298 1 14 . 1 1 102 102 ALA H H 102 8.212 8.212 8.137 0.075 25469 8299 1 14 . 1 1 103 103 GLU N N 103 118.735 118.735 118.104 0.631 25469 8300 1 14 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.264 -0.063 25469 8301 1 14 . 1 1 103 103 GLU C C 103 176.516 176.516 176.994 -0.478 25469 8302 1 14 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.681 -1.025 25469 8303 1 14 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.320 0.907 25469 8304 1 14 . 1 1 103 103 GLU H H 103 8.071 8.071 8.808 -0.737 25469 8305 1 14 . 1 1 104 104 MET N N 104 120.106 120.106 117.395 2.711 25469 8306 1 14 . 1 1 104 104 MET HA H 104 4.326 4.326 4.376 -0.050 25469 8307 1 14 . 1 1 104 104 MET C C 104 175.862 175.862 175.370 0.492 25469 8308 1 14 . 1 1 104 104 MET CA C 104 55.939 55.939 55.295 0.644 25469 8309 1 14 . 1 1 104 104 MET CB C 104 32.999 32.999 32.944 0.055 25469 8310 1 14 . 1 1 104 104 MET H H 104 8.073 8.073 7.961 0.112 25469 8311 1 14 . 1 1 105 105 TYR N N 105 120.285 120.285 117.074 3.211 25469 8312 1 14 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.641 0.012 25469 8313 1 14 . 1 1 105 105 TYR C C 105 175.319 175.319 176.868 -1.549 25469 8314 1 14 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.556 0.039 25469 8315 1 14 . 1 1 105 105 TYR CB C 105 38.939 38.939 38.843 0.096 25469 8316 1 14 . 1 1 105 105 TYR H H 105 8.126 8.126 7.530 0.596 25469 8317 1 15 . 1 1 3 3 SER HA H 3 4.553 4.553 4.448 0.105 25469 8318 1 15 . 1 1 3 3 SER C C 3 173.408 173.408 175.193 -1.785 25469 8319 1 15 . 1 1 3 3 SER CA C 3 58.273 58.273 57.928 0.345 25469 8320 1 15 . 1 1 3 3 SER CB C 3 63.940 63.940 65.541 -1.601 25469 8321 1 15 . 1 1 4 4 ASN N N 4 120.235 120.235 119.256 0.979 25469 8322 1 15 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.494 0.723 25469 8323 1 15 . 1 1 4 4 ASN C C 4 176.243 176.243 173.750 2.493 25469 8324 1 15 . 1 1 4 4 ASN CA C 4 53.044 53.044 54.649 -1.605 25469 8325 1 15 . 1 1 4 4 ASN CB C 4 38.732 38.732 37.727 1.004 25469 8326 1 15 . 1 1 4 4 ASN H H 4 8.774 8.774 8.732 0.042 25469 8327 1 15 . 1 1 5 5 VAL N N 5 122.554 122.554 119.187 3.367 25469 8328 1 15 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.366 -0.597 25469 8329 1 15 . 1 1 5 5 VAL C C 5 177.223 177.223 174.816 2.407 25469 8330 1 15 . 1 1 5 5 VAL CA C 5 65.811 65.811 61.624 4.187 25469 8331 1 15 . 1 1 5 5 VAL CB C 5 30.874 30.874 34.627 -3.753 25469 8332 1 15 . 1 1 5 5 VAL H H 5 8.315 8.315 7.552 0.763 25469 8333 1 15 . 1 1 6 6 THR N N 6 118.503 118.503 114.406 4.097 25469 8334 1 15 . 1 1 6 6 THR HA H 6 4.678 4.678 4.417 0.261 25469 8335 1 15 . 1 1 6 6 THR C C 6 174.350 174.350 173.434 0.916 25469 8336 1 15 . 1 1 6 6 THR CA C 6 60.560 60.560 61.630 -1.069 25469 8337 1 15 . 1 1 6 6 THR CB C 6 69.833 69.833 69.854 -0.021 25469 8338 1 15 . 1 1 6 6 THR H H 6 9.394 9.394 8.285 1.109 25469 8339 1 15 . 1 1 7 7 ASN N N 7 120.872 120.872 119.755 1.117 25469 8340 1 15 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.638 -0.082 25469 8341 1 15 . 1 1 7 7 ASN C C 7 176.866 176.866 174.092 2.774 25469 8342 1 15 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.869 -0.972 25469 8343 1 15 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.527 -0.445 25469 8344 1 15 . 1 1 7 7 ASN H H 7 7.976 7.976 8.040 -0.064 25469 8345 1 15 . 1 1 8 8 LYS N N 8 121.728 121.728 124.448 -2.720 25469 8346 1 15 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.648 -0.392 25469 8347 1 15 . 1 1 8 8 LYS C C 8 180.142 180.142 175.425 4.717 25469 8348 1 15 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.748 2.452 25469 8349 1 15 . 1 1 8 8 LYS CB C 8 32.292 32.292 36.264 -3.972 25469 8350 1 15 . 1 1 8 8 LYS H H 8 8.572 8.572 7.965 0.607 25469 8351 1 15 . 1 1 9 9 THR N N 9 110.858 110.858 112.177 -1.319 25469 8352 1 15 . 1 1 9 9 THR HA H 9 4.463 4.463 4.491 -0.028 25469 8353 1 15 . 1 1 9 9 THR C C 9 174.485 174.485 173.936 0.549 25469 8354 1 15 . 1 1 9 9 THR CA C 9 61.246 61.246 60.725 0.521 25469 8355 1 15 . 1 1 9 9 THR CB C 9 69.039 69.039 69.397 -0.358 25469 8356 1 15 . 1 1 9 9 THR H H 9 8.691 8.691 8.471 0.220 25469 8357 1 15 . 1 1 10 10 ASP N N 10 121.014 121.014 124.033 -3.019 25469 8358 1 15 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.783 0.042 25469 8359 1 15 . 1 1 10 10 ASP C C 10 173.946 173.946 176.349 -2.403 25469 8360 1 15 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.361 -0.797 25469 8361 1 15 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.083 -1.482 25469 8362 1 15 . 1 1 10 10 ASP H H 10 7.907 7.907 7.940 -0.033 25469 8363 1 15 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.257 -0.102 25469 8364 1 15 . 1 1 11 11 PRO C C 11 178.421 178.421 177.163 1.258 25469 8365 1 15 . 1 1 11 11 PRO CA C 11 66.241 66.241 65.287 0.954 25469 8366 1 15 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.023 0.175 25469 8367 1 15 . 1 1 12 12 ARG N N 12 116.361 116.361 115.441 0.920 25469 8368 1 15 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.399 -0.307 25469 8369 1 15 . 1 1 12 12 ARG C C 12 180.446 180.446 177.301 3.145 25469 8370 1 15 . 1 1 12 12 ARG CA C 12 59.535 59.535 58.185 1.350 25469 8371 1 15 . 1 1 12 12 ARG CB C 12 29.250 29.250 30.748 -1.498 25469 8372 1 15 . 1 1 12 12 ARG H H 12 7.940 7.940 8.066 -0.126 25469 8373 1 15 . 1 1 13 13 SER N N 13 119.379 119.379 117.152 2.227 25469 8374 1 15 . 1 1 13 13 SER HA H 13 4.052 4.052 4.237 -0.185 25469 8375 1 15 . 1 1 13 13 SER C C 13 178.762 178.762 175.278 3.484 25469 8376 1 15 . 1 1 13 13 SER CA C 13 61.529 61.529 62.746 -1.217 25469 8377 1 15 . 1 1 13 13 SER CB C 13 61.778 61.778 62.932 -1.154 25469 8378 1 15 . 1 1 13 13 SER H H 13 8.143 8.143 8.448 -0.305 25469 8379 1 15 . 1 1 14 14 MET N N 14 120.327 120.327 118.393 1.934 25469 8380 1 15 . 1 1 14 14 MET HA H 14 4.097 4.097 4.292 -0.195 25469 8381 1 15 . 1 1 14 14 MET C C 14 178.576 178.576 174.996 3.580 25469 8382 1 15 . 1 1 14 14 MET CA C 14 58.293 58.293 57.917 0.376 25469 8383 1 15 . 1 1 14 14 MET CB C 14 31.813 31.813 33.135 -1.322 25469 8384 1 15 . 1 1 14 14 MET H H 14 8.238 8.238 7.790 0.448 25469 8385 1 15 . 1 1 15 15 ASN N N 15 115.378 115.378 115.472 -0.094 25469 8386 1 15 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.832 -0.207 25469 8387 1 15 . 1 1 15 15 ASN C C 15 172.556 172.556 176.793 -4.237 25469 8388 1 15 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.621 -0.592 25469 8389 1 15 . 1 1 15 15 ASN CB C 15 38.650 38.650 39.712 -1.062 25469 8390 1 15 . 1 1 15 15 ASN H H 15 7.968 7.968 7.550 0.418 25469 8391 1 15 . 1 1 16 16 SER N N 16 106.215 106.215 115.089 -8.874 25469 8392 1 15 . 1 1 16 16 SER HA H 16 4.495 4.495 4.601 -0.106 25469 8393 1 15 . 1 1 16 16 SER C C 16 172.121 172.121 173.142 -1.021 25469 8394 1 15 . 1 1 16 16 SER CA C 16 56.785 56.785 59.286 -2.501 25469 8395 1 15 . 1 1 16 16 SER CB C 16 63.428 63.428 63.470 -0.042 25469 8396 1 15 . 1 1 16 16 SER H H 16 7.253 7.253 8.451 -1.198 25469 8397 1 15 . 1 1 17 17 ARG N N 17 123.348 123.348 122.280 1.068 25469 8398 1 15 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.090 0.502 25469 8399 1 15 . 1 1 17 17 ARG C C 17 174.491 174.491 175.031 -0.540 25469 8400 1 15 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.327 -0.947 25469 8401 1 15 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.403 -0.494 25469 8402 1 15 . 1 1 17 17 ARG H H 17 7.405 7.405 7.327 0.078 25469 8403 1 15 . 1 1 18 18 VAL N N 18 122.328 122.328 123.008 -0.680 25469 8404 1 15 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.486 0.223 25469 8405 1 15 . 1 1 18 18 VAL C C 18 174.863 174.863 174.008 0.855 25469 8406 1 15 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.346 -0.689 25469 8407 1 15 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.488 -1.186 25469 8408 1 15 . 1 1 18 18 VAL H H 18 9.260 9.260 9.022 0.238 25469 8409 1 15 . 1 1 19 19 PHE N N 19 126.010 126.010 128.594 -2.584 25469 8410 1 15 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.584 -0.118 25469 8411 1 15 . 1 1 19 19 PHE C C 19 171.967 171.967 173.421 -1.454 25469 8412 1 15 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.715 1.394 25469 8413 1 15 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.880 -0.857 25469 8414 1 15 . 1 1 19 19 PHE H H 19 9.159 9.159 9.211 -0.052 25469 8415 1 15 . 1 1 20 20 ILE N N 20 126.422 126.422 126.720 -0.298 25469 8416 1 15 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.081 -0.220 25469 8417 1 15 . 1 1 20 20 ILE C C 20 173.050 173.050 174.472 -1.422 25469 8418 1 15 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.857 -0.509 25469 8419 1 15 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.178 1.022 25469 8420 1 15 . 1 1 20 20 ILE H H 20 7.716 7.716 8.190 -0.474 25469 8421 1 15 . 1 1 21 21 GLY N N 21 113.182 113.182 111.154 2.028 25469 8422 1 15 . 1 1 21 21 GLY C C 21 173.769 173.769 173.904 -0.135 25469 8423 1 15 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.181 0.679 25469 8424 1 15 . 1 1 21 21 GLY H H 21 8.550 8.550 8.002 0.548 25469 8425 1 15 . 1 1 22 22 ASN N N 22 116.072 116.072 115.274 0.798 25469 8426 1 15 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.343 0.004 25469 8427 1 15 . 1 1 22 22 ASN C C 22 174.205 174.205 174.082 0.123 25469 8428 1 15 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.829 -0.396 25469 8429 1 15 . 1 1 22 22 ASN CB C 22 38.826 38.826 38.138 0.688 25469 8430 1 15 . 1 1 22 22 ASN H H 22 7.291 7.291 8.618 -1.327 25469 8431 1 15 . 1 1 23 23 LEU N N 23 118.873 118.873 118.456 0.417 25469 8432 1 15 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.627 -0.699 25469 8433 1 15 . 1 1 23 23 LEU C C 23 176.551 176.551 176.378 0.173 25469 8434 1 15 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.509 -0.844 25469 8435 1 15 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.036 0.313 25469 8436 1 15 . 1 1 23 23 LEU H H 23 7.279 7.279 7.884 -0.605 25469 8437 1 15 . 1 1 24 24 ASN N N 24 124.260 124.260 122.786 1.474 25469 8438 1 15 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.476 0.283 25469 8439 1 15 . 1 1 24 24 ASN C C 24 175.831 175.831 175.410 0.421 25469 8440 1 15 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.086 -3.446 25469 8441 1 15 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.660 -3.105 25469 8442 1 15 . 1 1 24 24 ASN H H 24 9.075 9.075 8.817 0.258 25469 8443 1 15 . 1 1 25 25 THR N N 25 118.101 118.101 107.098 11.003 25469 8444 1 15 . 1 1 25 25 THR HA H 25 4.377 4.377 4.085 0.292 25469 8445 1 15 . 1 1 25 25 THR C C 25 175.286 175.286 173.702 1.584 25469 8446 1 15 . 1 1 25 25 THR CA C 25 63.324 63.324 63.357 -0.033 25469 8447 1 15 . 1 1 25 25 THR CB C 25 67.439 67.439 67.981 -0.542 25469 8448 1 15 . 1 1 25 25 THR H H 25 8.226 8.226 7.930 0.296 25469 8449 1 15 . 1 1 26 26 LEU N N 26 121.285 121.285 117.833 3.452 25469 8450 1 15 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.421 -0.110 25469 8451 1 15 . 1 1 26 26 LEU C C 26 178.244 178.244 176.567 1.677 25469 8452 1 15 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.450 0.864 25469 8453 1 15 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.412 -1.084 25469 8454 1 15 . 1 1 26 26 LEU H H 26 7.670 7.670 7.791 -0.121 25469 8455 1 15 . 1 1 27 27 VAL N N 27 114.562 114.562 115.668 -1.106 25469 8456 1 15 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.148 -0.101 25469 8457 1 15 . 1 1 27 27 VAL C C 27 175.200 175.200 175.651 -0.451 25469 8458 1 15 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.438 0.593 25469 8459 1 15 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.331 1.851 25469 8460 1 15 . 1 1 27 27 VAL H H 27 6.790 6.790 7.598 -0.808 25469 8461 1 15 . 1 1 28 28 VAL N N 28 121.996 121.996 120.720 1.276 25469 8462 1 15 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.129 -0.270 25469 8463 1 15 . 1 1 28 28 VAL C C 28 174.352 174.352 174.481 -0.129 25469 8464 1 15 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.237 1.955 25469 8465 1 15 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.246 -1.305 25469 8466 1 15 . 1 1 28 28 VAL H H 28 8.276 8.276 7.617 0.659 25469 8467 1 15 . 1 1 29 29 LYS N N 29 124.228 124.228 123.974 0.254 25469 8468 1 15 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.715 -0.113 25469 8469 1 15 . 1 1 29 29 LYS C C 29 177.959 177.959 176.596 1.363 25469 8470 1 15 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.885 -1.239 25469 8471 1 15 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.693 -1.298 25469 8472 1 15 . 1 1 29 29 LYS H H 29 8.925 8.925 8.151 0.774 25469 8473 1 15 . 1 1 30 30 LYS N N 30 123.350 123.350 120.238 3.112 25469 8474 1 15 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.010 -0.356 25469 8475 1 15 . 1 1 30 30 LYS C C 30 177.639 177.639 176.840 0.799 25469 8476 1 15 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.730 2.670 25469 8477 1 15 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.952 0.697 25469 8478 1 15 . 1 1 30 30 LYS H H 30 8.993 8.993 8.620 0.373 25469 8479 1 15 . 1 1 31 31 SER N N 31 111.465 111.465 111.402 0.063 25469 8480 1 15 . 1 1 31 31 SER HA H 31 4.167 4.167 4.780 -0.613 25469 8481 1 15 . 1 1 31 31 SER C C 31 177.617 177.617 174.818 2.799 25469 8482 1 15 . 1 1 31 31 SER CA C 31 61.389 61.389 58.402 2.987 25469 8483 1 15 . 1 1 31 31 SER CB C 31 61.533 61.533 63.993 -2.460 25469 8484 1 15 . 1 1 31 31 SER H H 31 8.669 8.669 8.006 0.663 25469 8485 1 15 . 1 1 32 32 ASP N N 32 122.187 122.187 122.488 -0.301 25469 8486 1 15 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.806 -0.286 25469 8487 1 15 . 1 1 32 32 ASP C C 32 178.194 178.194 178.480 -0.286 25469 8488 1 15 . 1 1 32 32 ASP CA C 32 57.188 57.188 56.106 1.082 25469 8489 1 15 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.011 -0.164 25469 8490 1 15 . 1 1 32 32 ASP H H 32 7.141 7.141 8.029 -0.888 25469 8491 1 15 . 1 1 33 33 VAL N N 33 120.138 120.138 119.927 0.211 25469 8492 1 15 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.934 -0.473 25469 8493 1 15 . 1 1 33 33 VAL C C 33 178.624 178.624 176.693 1.931 25469 8494 1 15 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.883 0.491 25469 8495 1 15 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.648 -0.363 25469 8496 1 15 . 1 1 33 33 VAL H H 33 7.956 7.956 8.236 -0.280 25469 8497 1 15 . 1 1 34 34 GLU N N 34 118.717 118.717 115.975 2.742 25469 8498 1 15 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.195 -0.441 25469 8499 1 15 . 1 1 34 34 GLU C C 34 178.701 178.701 175.859 2.842 25469 8500 1 15 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.396 3.109 25469 8501 1 15 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.800 0.544 25469 8502 1 15 . 1 1 34 34 GLU H H 34 8.637 8.637 8.604 0.033 25469 8503 1 15 . 1 1 35 35 ALA N N 35 121.541 121.541 120.330 1.211 25469 8504 1 15 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.604 -0.455 25469 8505 1 15 . 1 1 35 35 ALA C C 35 180.483 180.483 177.558 2.925 25469 8506 1 15 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.851 2.665 25469 8507 1 15 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.274 -2.226 25469 8508 1 15 . 1 1 35 35 ALA H H 35 7.823 7.823 7.855 -0.032 25469 8509 1 15 . 1 1 36 36 ILE N N 36 117.449 117.449 117.732 -0.283 25469 8510 1 15 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.151 -0.488 25469 8511 1 15 . 1 1 36 36 ILE C C 36 178.665 178.665 176.599 2.066 25469 8512 1 15 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.858 1.953 25469 8513 1 15 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.477 0.313 25469 8514 1 15 . 1 1 36 36 ILE H H 36 7.773 7.773 7.572 0.201 25469 8515 1 15 . 1 1 37 37 PHE N N 37 113.524 113.524 117.597 -4.073 25469 8516 1 15 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.953 -0.595 25469 8517 1 15 . 1 1 37 37 PHE C C 37 179.593 179.593 177.644 1.949 25469 8518 1 15 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.365 3.315 25469 8519 1 15 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.337 -3.127 25469 8520 1 15 . 1 1 37 37 PHE H H 37 8.566 8.566 8.224 0.342 25469 8521 1 15 . 1 1 38 38 SER N N 38 122.025 122.025 114.951 7.074 25469 8522 1 15 . 1 1 38 38 SER HA H 38 4.821 4.821 4.715 0.106 25469 8523 1 15 . 1 1 38 38 SER C C 38 175.439 175.439 175.395 0.044 25469 8524 1 15 . 1 1 38 38 SER CA C 38 61.519 61.519 59.713 1.806 25469 8525 1 15 . 1 1 38 38 SER CB C 38 62.765 62.765 62.843 -0.078 25469 8526 1 15 . 1 1 38 38 SER H H 38 8.834 8.834 8.545 0.289 25469 8527 1 15 . 1 1 39 39 LYS N N 39 119.387 119.387 117.782 1.605 25469 8528 1 15 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.088 -0.127 25469 8529 1 15 . 1 1 39 39 LYS C C 39 177.064 177.064 176.363 0.701 25469 8530 1 15 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.561 0.718 25469 8531 1 15 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.569 0.017 25469 8532 1 15 . 1 1 39 39 LYS H H 39 7.054 7.054 7.980 -0.926 25469 8533 1 15 . 1 1 40 40 TYR N N 40 114.433 114.433 118.807 -4.374 25469 8534 1 15 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.583 -0.306 25469 8535 1 15 . 1 1 40 40 TYR C C 40 174.842 174.842 175.004 -0.162 25469 8536 1 15 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.050 0.800 25469 8537 1 15 . 1 1 40 40 TYR CB C 40 38.427 38.427 39.981 -1.554 25469 8538 1 15 . 1 1 40 40 TYR H H 40 6.956 6.956 7.422 -0.466 25469 8539 1 15 . 1 1 41 41 GLY N N 41 106.514 106.514 103.828 2.686 25469 8540 1 15 . 1 1 41 41 GLY C C 41 170.573 170.573 171.831 -1.258 25469 8541 1 15 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.857 -0.301 25469 8542 1 15 . 1 1 41 41 GLY H H 41 7.428 7.428 7.389 0.039 25469 8543 1 15 . 1 1 42 42 LYS N N 42 117.788 117.788 122.039 -4.251 25469 8544 1 15 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.314 -0.117 25469 8545 1 15 . 1 1 42 42 LYS C C 42 176.536 176.536 176.064 0.472 25469 8546 1 15 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.685 0.451 25469 8547 1 15 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.780 0.187 25469 8548 1 15 . 1 1 42 42 LYS H H 42 8.034 8.034 8.479 -0.445 25469 8549 1 15 . 1 1 43 43 ILE N N 43 127.104 127.104 126.917 0.187 25469 8550 1 15 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.447 -0.423 25469 8551 1 15 . 1 1 43 43 ILE C C 43 176.993 176.993 176.477 0.516 25469 8552 1 15 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.786 -0.406 25469 8553 1 15 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.771 0.142 25469 8554 1 15 . 1 1 43 43 ILE H H 43 8.711 8.711 8.647 0.064 25469 8555 1 15 . 1 1 44 44 VAL N N 44 121.993 121.993 120.430 1.563 25469 8556 1 15 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.487 -0.123 25469 8557 1 15 . 1 1 44 44 VAL C C 44 176.853 176.853 174.751 2.102 25469 8558 1 15 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.882 0.976 25469 8559 1 15 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.513 -0.961 25469 8560 1 15 . 1 1 44 44 VAL H H 44 8.711 8.711 8.741 -0.030 25469 8561 1 15 . 1 1 45 45 GLY N N 45 109.507 109.507 107.461 2.046 25469 8562 1 15 . 1 1 45 45 GLY C C 45 171.266 171.266 172.075 -0.809 25469 8563 1 15 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.636 -0.628 25469 8564 1 15 . 1 1 45 45 GLY H H 45 7.530 7.530 7.486 0.044 25469 8565 1 15 . 1 1 46 46 CYS N N 46 124.546 124.546 117.430 7.116 25469 8566 1 15 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.479 -0.448 25469 8567 1 15 . 1 1 46 46 CYS C C 46 172.073 172.073 172.509 -0.436 25469 8568 1 15 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.922 1.041 25469 8569 1 15 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.624 -3.282 25469 8570 1 15 . 1 1 46 46 CYS H H 46 8.982 8.982 8.539 0.443 25469 8571 1 15 . 1 1 47 47 SER N N 47 122.933 122.933 115.942 6.991 25469 8572 1 15 . 1 1 47 47 SER HA H 47 4.908 4.908 4.729 0.179 25469 8573 1 15 . 1 1 47 47 SER C C 47 171.849 171.849 172.150 -0.301 25469 8574 1 15 . 1 1 47 47 SER CA C 47 56.585 56.585 57.346 -0.761 25469 8575 1 15 . 1 1 47 47 SER CB C 47 65.733 65.733 65.001 0.732 25469 8576 1 15 . 1 1 47 47 SER H H 47 8.569 8.569 8.703 -0.134 25469 8577 1 15 . 1 1 48 48 VAL N N 48 121.588 121.588 125.981 -4.393 25469 8578 1 15 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.292 -0.154 25469 8579 1 15 . 1 1 48 48 VAL C C 48 173.991 173.991 174.792 -0.801 25469 8580 1 15 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.615 1.695 25469 8581 1 15 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.113 -0.189 25469 8582 1 15 . 1 1 48 48 VAL H H 48 8.565 8.565 8.465 0.100 25469 8583 1 15 . 1 1 49 49 HIS N N 49 130.308 130.308 123.847 6.461 25469 8584 1 15 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.651 -0.219 25469 8585 1 15 . 1 1 49 49 HIS C C 49 173.950 173.950 173.834 0.116 25469 8586 1 15 . 1 1 49 49 HIS CA C 49 54.651 54.651 53.871 0.780 25469 8587 1 15 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.404 -0.851 25469 8588 1 15 . 1 1 49 49 HIS H H 49 8.441 8.441 8.815 -0.374 25469 8589 1 15 . 1 1 50 50 LYS N N 50 121.937 121.937 119.922 2.015 25469 8590 1 15 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.061 0.399 25469 8591 1 15 . 1 1 50 50 LYS C C 50 175.528 175.528 177.346 -1.818 25469 8592 1 15 . 1 1 50 50 LYS CA C 50 56.289 56.289 55.877 0.412 25469 8593 1 15 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.666 -1.188 25469 8594 1 15 . 1 1 50 50 LYS H H 50 7.926 7.926 8.197 -0.271 25469 8595 1 15 . 1 1 51 51 GLY N N 51 114.868 114.868 112.087 2.781 25469 8596 1 15 . 1 1 51 51 GLY C C 51 174.253 174.253 173.004 1.249 25469 8597 1 15 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.244 -0.724 25469 8598 1 15 . 1 1 51 51 GLY H H 51 8.644 8.644 8.667 -0.023 25469 8599 1 15 . 1 1 52 52 PHE N N 52 112.790 112.790 115.205 -2.415 25469 8600 1 15 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.632 -0.384 25469 8601 1 15 . 1 1 52 52 PHE C C 52 171.606 171.606 172.868 -1.262 25469 8602 1 15 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.275 0.955 25469 8603 1 15 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.474 -0.429 25469 8604 1 15 . 1 1 52 52 PHE H H 52 7.005 7.005 7.194 -0.189 25469 8605 1 15 . 1 1 53 53 ALA N N 53 119.858 119.858 119.476 0.382 25469 8606 1 15 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.962 -0.127 25469 8607 1 15 . 1 1 53 53 ALA C C 53 173.030 173.030 174.525 -1.495 25469 8608 1 15 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.059 -0.713 25469 8609 1 15 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.465 2.268 25469 8610 1 15 . 1 1 53 53 ALA H H 53 8.724 8.724 8.333 0.391 25469 8611 1 15 . 1 1 54 54 PHE N N 54 112.158 112.158 116.176 -4.018 25469 8612 1 15 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.636 -0.056 25469 8613 1 15 . 1 1 54 54 PHE C C 54 175.765 175.765 174.167 1.598 25469 8614 1 15 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.072 -0.468 25469 8615 1 15 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.408 -0.114 25469 8616 1 15 . 1 1 54 54 PHE H H 54 8.764 8.764 9.184 -0.420 25469 8617 1 15 . 1 1 55 55 VAL N N 55 118.628 118.628 120.849 -2.221 25469 8618 1 15 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.549 -0.337 25469 8619 1 15 . 1 1 55 55 VAL C C 55 172.807 172.807 173.692 -0.885 25469 8620 1 15 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.970 0.907 25469 8621 1 15 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.927 -0.974 25469 8622 1 15 . 1 1 55 55 VAL H H 55 8.310 8.310 9.003 -0.693 25469 8623 1 15 . 1 1 56 56 GLN N N 56 128.402 128.402 123.724 4.678 25469 8624 1 15 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.916 -0.351 25469 8625 1 15 . 1 1 56 56 GLN C C 56 173.894 173.894 174.208 -0.314 25469 8626 1 15 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.788 0.424 25469 8627 1 15 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.252 -0.146 25469 8628 1 15 . 1 1 56 56 GLN H H 56 9.253 9.253 8.880 0.373 25469 8629 1 15 . 1 1 57 57 TYR N N 57 127.617 127.617 123.623 3.994 25469 8630 1 15 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.366 -0.085 25469 8631 1 15 . 1 1 57 57 TYR C C 57 175.610 175.610 176.911 -1.301 25469 8632 1 15 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.527 2.164 25469 8633 1 15 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.971 -0.902 25469 8634 1 15 . 1 1 57 57 TYR H H 57 8.919 8.919 8.887 0.032 25469 8635 1 15 . 1 1 58 58 VAL N N 58 116.705 116.705 119.525 -2.820 25469 8636 1 15 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.847 0.266 25469 8637 1 15 . 1 1 58 58 VAL C C 58 175.860 175.860 175.195 0.665 25469 8638 1 15 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.953 -0.924 25469 8639 1 15 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.261 0.788 25469 8640 1 15 . 1 1 58 58 VAL H H 58 9.458 9.458 8.848 0.610 25469 8641 1 15 . 1 1 59 59 ASN N N 59 112.563 112.563 111.785 0.778 25469 8642 1 15 . 1 1 59 59 ASN HA H 59 5.150 5.150 5.004 0.146 25469 8643 1 15 . 1 1 59 59 ASN C C 59 174.483 174.483 175.339 -0.856 25469 8644 1 15 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.195 -0.243 25469 8645 1 15 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.612 1.565 25469 8646 1 15 . 1 1 59 59 ASN H H 59 7.230 7.230 7.474 -0.244 25469 8647 1 15 . 1 1 60 60 GLU N N 60 124.320 124.320 120.645 3.675 25469 8648 1 15 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.122 0.193 25469 8649 1 15 . 1 1 60 60 GLU C C 60 178.202 178.202 177.787 0.415 25469 8650 1 15 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.481 -0.700 25469 8651 1 15 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.849 0.529 25469 8652 1 15 . 1 1 60 60 GLU H H 60 8.807 8.807 8.887 -0.080 25469 8653 1 15 . 1 1 61 61 ARG N N 61 118.347 118.347 118.983 -0.636 25469 8654 1 15 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.027 -0.037 25469 8655 1 15 . 1 1 61 61 ARG C C 61 179.341 179.341 178.559 0.782 25469 8656 1 15 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.581 0.886 25469 8657 1 15 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.746 -0.345 25469 8658 1 15 . 1 1 61 61 ARG H H 61 8.620 8.620 8.319 0.301 25469 8659 1 15 . 1 1 62 62 ASN N N 62 118.085 118.085 117.128 0.957 25469 8660 1 15 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.325 -0.048 25469 8661 1 15 . 1 1 62 62 ASN C C 62 174.852 174.852 176.462 -1.610 25469 8662 1 15 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.173 0.292 25469 8663 1 15 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.209 0.798 25469 8664 1 15 . 1 1 62 62 ASN H H 62 7.781 7.781 7.986 -0.205 25469 8665 1 15 . 1 1 63 63 ALA N N 63 119.580 119.580 122.974 -3.394 25469 8666 1 15 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.415 -0.667 25469 8667 1 15 . 1 1 63 63 ALA C C 63 178.862 178.862 179.323 -0.461 25469 8668 1 15 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.721 0.240 25469 8669 1 15 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.773 -0.232 25469 8670 1 15 . 1 1 63 63 ALA H H 63 6.775 6.775 7.261 -0.486 25469 8671 1 15 . 1 1 64 64 ARG N N 64 114.991 114.991 118.357 -3.366 25469 8672 1 15 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.150 -0.310 25469 8673 1 15 . 1 1 64 64 ARG C C 64 179.776 179.776 178.594 1.182 25469 8674 1 15 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.990 2.192 25469 8675 1 15 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.701 -0.455 25469 8676 1 15 . 1 1 64 64 ARG H H 64 8.737 8.737 8.562 0.175 25469 8677 1 15 . 1 1 65 65 ALA N N 65 123.698 123.698 121.357 2.341 25469 8678 1 15 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.294 -0.167 25469 8679 1 15 . 1 1 65 65 ALA C C 65 179.561 179.561 178.514 1.047 25469 8680 1 15 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.453 0.495 25469 8681 1 15 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.338 -0.447 25469 8682 1 15 . 1 1 65 65 ALA H H 65 7.820 7.820 7.541 0.279 25469 8683 1 15 . 1 1 66 66 ALA N N 66 123.811 123.811 119.937 3.874 25469 8684 1 15 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.641 -1.574 25469 8685 1 15 . 1 1 66 66 ALA C C 66 179.260 179.260 179.132 0.128 25469 8686 1 15 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.465 -0.156 25469 8687 1 15 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.076 0.232 25469 8688 1 15 . 1 1 66 66 ALA H H 66 7.538 7.538 7.339 0.199 25469 8689 1 15 . 1 1 67 67 VAL N N 67 116.571 116.571 117.846 -1.275 25469 8690 1 15 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.726 -0.371 25469 8691 1 15 . 1 1 67 67 VAL C C 67 177.744 177.744 177.755 -0.011 25469 8692 1 15 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.364 0.166 25469 8693 1 15 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.265 0.702 25469 8694 1 15 . 1 1 67 67 VAL H H 67 7.612 7.612 8.269 -0.657 25469 8695 1 15 . 1 1 68 68 ALA N N 68 118.239 118.239 119.984 -1.745 25469 8696 1 15 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.285 -0.164 25469 8697 1 15 . 1 1 68 68 ALA C C 68 180.749 180.749 178.221 2.528 25469 8698 1 15 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.356 0.996 25469 8699 1 15 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.710 -0.613 25469 8700 1 15 . 1 1 68 68 ALA H H 68 7.549 7.549 7.575 -0.026 25469 8701 1 15 . 1 1 69 69 GLY N N 69 103.748 103.748 105.132 -1.384 25469 8702 1 15 . 1 1 69 69 GLY C C 69 175.627 175.627 174.910 0.717 25469 8703 1 15 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.014 1.072 25469 8704 1 15 . 1 1 69 69 GLY H H 69 8.135 8.135 7.322 0.813 25469 8705 1 15 . 1 1 70 70 GLU N N 70 114.571 114.571 116.275 -1.704 25469 8706 1 15 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.375 0.257 25469 8707 1 15 . 1 1 70 70 GLU C C 70 176.392 176.392 175.053 1.339 25469 8708 1 15 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.915 -0.717 25469 8709 1 15 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.884 -0.512 25469 8710 1 15 . 1 1 70 70 GLU H H 70 7.653 7.653 7.578 0.075 25469 8711 1 15 . 1 1 71 71 ASP N N 71 118.127 118.127 121.251 -3.124 25469 8712 1 15 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.377 -0.092 25469 8713 1 15 . 1 1 71 71 ASP C C 71 178.699 178.699 177.044 1.655 25469 8714 1 15 . 1 1 71 71 ASP CA C 71 57.542 57.542 55.924 1.618 25469 8715 1 15 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.162 1.208 25469 8716 1 15 . 1 1 71 71 ASP H H 71 8.026 8.026 7.570 0.456 25469 8717 1 15 . 1 1 72 72 GLY N N 72 114.353 114.353 113.737 0.616 25469 8718 1 15 . 1 1 72 72 GLY C C 72 173.792 173.792 174.379 -0.587 25469 8719 1 15 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.124 0.635 25469 8720 1 15 . 1 1 72 72 GLY H H 72 8.292 8.292 8.081 0.211 25469 8721 1 15 . 1 1 73 73 ARG N N 73 121.996 121.996 118.822 3.174 25469 8722 1 15 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.440 -0.254 25469 8723 1 15 . 1 1 73 73 ARG C C 73 175.188 175.188 174.774 0.414 25469 8724 1 15 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.930 1.546 25469 8725 1 15 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.207 0.112 25469 8726 1 15 . 1 1 73 73 ARG H H 73 7.981 7.981 7.929 0.052 25469 8727 1 15 . 1 1 74 74 MET N N 74 125.120 125.120 120.579 4.541 25469 8728 1 15 . 1 1 74 74 MET HA H 74 4.795 4.795 4.681 0.114 25469 8729 1 15 . 1 1 74 74 MET C C 74 175.727 175.727 174.851 0.876 25469 8730 1 15 . 1 1 74 74 MET CA C 74 55.054 55.054 54.676 0.378 25469 8731 1 15 . 1 1 74 74 MET CB C 74 33.076 33.076 34.365 -1.289 25469 8732 1 15 . 1 1 74 74 MET H H 74 8.710 8.710 8.314 0.396 25469 8733 1 15 . 1 1 75 75 ILE N N 75 127.530 127.530 125.732 1.798 25469 8734 1 15 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.430 -0.043 25469 8735 1 15 . 1 1 75 75 ILE C C 75 175.277 175.277 175.633 -0.356 25469 8736 1 15 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.596 -0.865 25469 8737 1 15 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.424 -1.017 25469 8738 1 15 . 1 1 75 75 ILE H H 75 8.583 8.583 8.846 -0.263 25469 8739 1 15 . 1 1 76 76 ALA N N 76 132.166 132.166 130.055 2.111 25469 8740 1 15 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.979 0.053 25469 8741 1 15 . 1 1 76 76 ALA C C 76 177.206 177.206 177.712 -0.506 25469 8742 1 15 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.228 -0.356 25469 8743 1 15 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.344 -0.096 25469 8744 1 15 . 1 1 76 76 ALA H H 76 9.540 9.540 9.028 0.512 25469 8745 1 15 . 1 1 77 77 GLY N N 77 101.685 101.685 102.525 -0.840 25469 8746 1 15 . 1 1 77 77 GLY C C 77 174.206 174.206 173.536 0.670 25469 8747 1 15 . 1 1 77 77 GLY CA C 77 45.767 45.767 45.007 0.760 25469 8748 1 15 . 1 1 77 77 GLY H H 77 8.446 8.446 8.322 0.124 25469 8749 1 15 . 1 1 78 78 GLN N N 78 118.947 118.947 119.646 -0.699 25469 8750 1 15 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.748 -0.017 25469 8751 1 15 . 1 1 78 78 GLN C C 78 174.047 174.047 174.628 -0.581 25469 8752 1 15 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.167 0.094 25469 8753 1 15 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.965 0.139 25469 8754 1 15 . 1 1 78 78 GLN H H 78 7.708 7.708 8.099 -0.391 25469 8755 1 15 . 1 1 79 79 VAL N N 79 123.383 123.383 126.710 -3.327 25469 8756 1 15 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.477 -0.463 25469 8757 1 15 . 1 1 79 79 VAL C C 79 176.348 176.348 176.361 -0.013 25469 8758 1 15 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.785 -1.117 25469 8759 1 15 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.267 -0.138 25469 8760 1 15 . 1 1 79 79 VAL H H 79 8.570 8.570 8.556 0.014 25469 8761 1 15 . 1 1 80 80 LEU N N 80 128.544 128.544 126.322 2.222 25469 8762 1 15 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.687 -0.379 25469 8763 1 15 . 1 1 80 80 LEU C C 80 176.522 176.522 176.171 0.351 25469 8764 1 15 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.364 2.537 25469 8765 1 15 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.998 -1.099 25469 8766 1 15 . 1 1 80 80 LEU H H 80 9.002 9.002 8.498 0.504 25469 8767 1 15 . 1 1 81 81 ASP N N 81 124.135 124.135 121.934 2.201 25469 8768 1 15 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.278 -0.057 25469 8769 1 15 . 1 1 81 81 ASP C C 81 174.660 174.660 174.692 -0.032 25469 8770 1 15 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.007 -0.020 25469 8771 1 15 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.537 0.230 25469 8772 1 15 . 1 1 81 81 ASP H H 81 7.718 7.718 8.392 -0.674 25469 8773 1 15 . 1 1 82 82 ILE N N 82 123.344 123.344 125.587 -2.243 25469 8774 1 15 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.972 0.425 25469 8775 1 15 . 1 1 82 82 ILE C C 82 174.521 174.521 174.424 0.097 25469 8776 1 15 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.947 -0.813 25469 8777 1 15 . 1 1 82 82 ILE CB C 82 40.967 40.967 41.144 -0.177 25469 8778 1 15 . 1 1 82 82 ILE H H 82 9.071 9.071 9.066 0.005 25469 8779 1 15 . 1 1 83 83 ASN N N 83 116.447 116.447 120.869 -4.422 25469 8780 1 15 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.009 -0.167 25469 8781 1 15 . 1 1 83 83 ASN C C 83 174.566 174.566 173.309 1.257 25469 8782 1 15 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.848 1.280 25469 8783 1 15 . 1 1 83 83 ASN CB C 83 43.074 43.074 40.978 2.096 25469 8784 1 15 . 1 1 83 83 ASN H H 83 8.494 8.494 8.820 -0.326 25469 8785 1 15 . 1 1 84 84 LEU N N 84 123.786 123.786 120.704 3.082 25469 8786 1 15 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.297 0.423 25469 8787 1 15 . 1 1 84 84 LEU C C 84 180.969 180.969 178.512 2.457 25469 8788 1 15 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.392 -0.035 25469 8789 1 15 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.149 -1.830 25469 8790 1 15 . 1 1 84 84 LEU H H 84 9.414 9.414 8.929 0.485 25469 8791 1 15 . 1 1 85 85 ALA N N 85 127.577 127.577 127.788 -0.211 25469 8792 1 15 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.326 -0.278 25469 8793 1 15 . 1 1 85 85 ALA C C 85 177.932 177.932 176.619 1.313 25469 8794 1 15 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.386 1.963 25469 8795 1 15 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.985 -0.998 25469 8796 1 15 . 1 1 85 85 ALA H H 85 9.279 9.279 8.293 0.986 25469 8797 1 15 . 1 1 86 86 ALA N N 86 116.071 116.071 116.731 -0.660 25469 8798 1 15 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.407 0.004 25469 8799 1 15 . 1 1 86 86 ALA C C 86 176.153 176.153 176.277 -0.124 25469 8800 1 15 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.060 -0.332 25469 8801 1 15 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.509 -0.199 25469 8802 1 15 . 1 1 86 86 ALA H H 86 8.687 8.687 8.104 0.583 25469 8803 1 15 . 1 1 87 87 GLU N N 87 118.959 118.959 119.905 -0.946 25469 8804 1 15 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.626 0.110 25469 8805 1 15 . 1 1 87 87 GLU C C 87 171.677 171.677 173.733 -2.056 25469 8806 1 15 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.107 0.065 25469 8807 1 15 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.230 -0.257 25469 8808 1 15 . 1 1 87 87 GLU H H 87 7.901 7.901 7.730 0.171 25469 8809 1 15 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.478 -0.135 25469 8810 1 15 . 1 1 88 88 PRO C C 88 177.303 177.303 177.542 -0.239 25469 8811 1 15 . 1 1 88 88 PRO CA C 88 62.918 62.918 62.941 -0.023 25469 8812 1 15 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.569 -0.671 25469 8813 1 15 . 1 1 89 89 LYS N N 89 121.298 121.298 122.507 -1.209 25469 8814 1 15 . 1 1 89 89 LYS HA H 89 4.227 4.227 3.991 0.236 25469 8815 1 15 . 1 1 89 89 LYS C C 89 177.690 177.690 176.748 0.942 25469 8816 1 15 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.656 -1.854 25469 8817 1 15 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.087 1.417 25469 8818 1 15 . 1 1 89 89 LYS H H 89 7.973 7.973 8.745 -0.772 25469 8819 1 15 . 1 1 90 90 VAL N N 90 120.788 120.788 116.360 4.428 25469 8820 1 15 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.174 -0.245 25469 8821 1 15 . 1 1 90 90 VAL C C 90 176.170 176.170 175.804 0.366 25469 8822 1 15 . 1 1 90 90 VAL CA C 90 63.217 63.217 63.000 0.217 25469 8823 1 15 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.462 -1.116 25469 8824 1 15 . 1 1 90 90 VAL H H 90 8.216 8.216 7.721 0.495 25469 8825 1 15 . 1 1 91 91 ASN N N 91 119.438 119.438 116.434 3.004 25469 8826 1 15 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.831 -0.172 25469 8827 1 15 . 1 1 91 91 ASN C C 91 175.173 175.173 175.879 -0.706 25469 8828 1 15 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.730 0.307 25469 8829 1 15 . 1 1 91 91 ASN CB C 91 38.167 38.167 39.499 -1.332 25469 8830 1 15 . 1 1 91 91 ASN H H 91 8.451 8.451 8.013 0.438 25469 8831 1 15 . 1 1 92 92 ARG N N 92 120.958 120.958 120.103 0.855 25469 8832 1 15 . 1 1 92 92 ARG HA H 92 4.237 4.237 3.930 0.307 25469 8833 1 15 . 1 1 92 92 ARG C C 92 177.002 177.002 176.035 0.967 25469 8834 1 15 . 1 1 92 92 ARG CA C 92 56.644 56.644 58.479 -1.835 25469 8835 1 15 . 1 1 92 92 ARG CB C 92 30.526 30.526 29.362 1.164 25469 8836 1 15 . 1 1 92 92 ARG H H 92 7.978 7.978 8.232 -0.254 25469 8837 1 15 . 1 1 93 93 GLY N N 93 110.275 110.275 106.828 3.447 25469 8838 1 15 . 1 1 93 93 GLY C C 93 174.246 174.246 173.300 0.946 25469 8839 1 15 . 1 1 93 93 GLY CA C 93 45.384 45.384 44.717 0.667 25469 8840 1 15 . 1 1 93 93 GLY H H 93 8.604 8.604 8.367 0.237 25469 8841 1 15 . 1 1 94 94 LYS N N 94 120.750 120.750 119.841 0.909 25469 8842 1 15 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.612 -0.315 25469 8843 1 15 . 1 1 94 94 LYS C C 94 176.525 176.525 175.243 1.282 25469 8844 1 15 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.207 -0.163 25469 8845 1 15 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.600 -0.575 25469 8846 1 15 . 1 1 94 94 LYS H H 94 8.113 8.113 8.568 -0.455 25469 8847 1 15 . 1 1 95 95 ALA N N 95 124.912 124.912 123.476 1.436 25469 8848 1 15 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.654 -0.355 25469 8849 1 15 . 1 1 95 95 ALA C C 95 178.325 178.325 176.497 1.828 25469 8850 1 15 . 1 1 95 95 ALA CA C 95 52.752 52.752 52.098 0.654 25469 8851 1 15 . 1 1 95 95 ALA CB C 95 19.140 19.140 19.602 -0.462 25469 8852 1 15 . 1 1 95 95 ALA H H 95 8.367 8.367 7.659 0.708 25469 8853 1 15 . 1 1 96 96 GLY N N 96 108.328 108.328 109.808 -1.480 25469 8854 1 15 . 1 1 96 96 GLY C C 96 174.096 174.096 174.066 0.030 25469 8855 1 15 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.363 -0.122 25469 8856 1 15 . 1 1 96 96 GLY H H 96 8.390 8.390 8.684 -0.294 25469 8857 1 15 . 1 1 97 97 VAL N N 97 119.774 119.774 119.883 -0.109 25469 8858 1 15 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.196 -0.119 25469 8859 1 15 . 1 1 97 97 VAL C C 97 176.156 176.156 175.636 0.520 25469 8860 1 15 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.010 0.289 25469 8861 1 15 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.988 -1.134 25469 8862 1 15 . 1 1 97 97 VAL H H 97 7.925 7.925 7.650 0.275 25469 8863 1 15 . 1 1 98 98 LYS N N 98 126.024 126.024 126.056 -0.032 25469 8864 1 15 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.570 -0.244 25469 8865 1 15 . 1 1 98 98 LYS C C 98 176.427 176.427 176.234 0.193 25469 8866 1 15 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.329 -0.228 25469 8867 1 15 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.450 -0.389 25469 8868 1 15 . 1 1 98 98 LYS H H 98 8.473 8.473 8.411 0.062 25469 8869 1 15 . 1 1 99 99 ARG N N 99 123.644 123.644 120.651 2.993 25469 8870 1 15 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.551 -0.172 25469 8871 1 15 . 1 1 99 99 ARG C C 99 176.231 176.231 176.652 -0.421 25469 8872 1 15 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.177 0.755 25469 8873 1 15 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.327 -1.060 25469 8874 1 15 . 1 1 99 99 ARG H H 99 8.464 8.464 7.728 0.736 25469 8875 1 15 . 1 1 100 100 SER N N 100 117.863 117.863 117.077 0.786 25469 8876 1 15 . 1 1 100 100 SER HA H 100 4.449 4.449 4.318 0.131 25469 8877 1 15 . 1 1 100 100 SER C C 100 174.556 174.556 174.526 0.030 25469 8878 1 15 . 1 1 100 100 SER CA C 100 57.985 57.985 59.675 -1.690 25469 8879 1 15 . 1 1 100 100 SER CB C 100 64.167 64.167 63.270 0.897 25469 8880 1 15 . 1 1 100 100 SER H H 100 8.516 8.516 9.092 -0.576 25469 8881 1 15 . 1 1 101 101 ALA N N 101 126.048 126.048 120.175 5.873 25469 8882 1 15 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.110 0.147 25469 8883 1 15 . 1 1 101 101 ALA C C 101 178.047 178.047 176.639 1.408 25469 8884 1 15 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.371 -0.023 25469 8885 1 15 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.704 1.241 25469 8886 1 15 . 1 1 101 101 ALA H H 101 8.538 8.538 8.490 0.048 25469 8887 1 15 . 1 1 102 102 ALA N N 102 121.566 121.566 118.239 3.327 25469 8888 1 15 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.723 -0.498 25469 8889 1 15 . 1 1 102 102 ALA C C 102 178.254 178.254 177.982 0.272 25469 8890 1 15 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.144 0.901 25469 8891 1 15 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.766 -0.723 25469 8892 1 15 . 1 1 102 102 ALA H H 102 8.212 8.212 7.798 0.414 25469 8893 1 15 . 1 1 103 103 GLU N N 103 118.735 118.735 117.134 1.601 25469 8894 1 15 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.232 -0.031 25469 8895 1 15 . 1 1 103 103 GLU C C 103 176.516 176.516 176.327 0.189 25469 8896 1 15 . 1 1 103 103 GLU CA C 103 56.656 56.656 57.858 -1.202 25469 8897 1 15 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.390 0.837 25469 8898 1 15 . 1 1 103 103 GLU H H 103 8.071 8.071 8.670 -0.599 25469 8899 1 15 . 1 1 104 104 MET N N 104 120.106 120.106 115.505 4.601 25469 8900 1 15 . 1 1 104 104 MET HA H 104 4.326 4.326 4.537 -0.211 25469 8901 1 15 . 1 1 104 104 MET C C 104 175.862 175.862 175.323 0.539 25469 8902 1 15 . 1 1 104 104 MET CA C 104 55.939 55.939 55.329 0.610 25469 8903 1 15 . 1 1 104 104 MET CB C 104 32.999 32.999 32.417 0.582 25469 8904 1 15 . 1 1 104 104 MET H H 104 8.073 8.073 7.481 0.592 25469 8905 1 15 . 1 1 105 105 TYR N N 105 120.285 120.285 119.295 0.990 25469 8906 1 15 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.708 -0.055 25469 8907 1 15 . 1 1 105 105 TYR C C 105 175.319 175.319 176.804 -1.485 25469 8908 1 15 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.494 0.101 25469 8909 1 15 . 1 1 105 105 TYR CB C 105 38.939 38.939 38.757 0.182 25469 8910 1 15 . 1 1 105 105 TYR H H 105 8.126 8.126 7.764 0.361 25469 8911 1 16 . 1 1 3 3 SER HA H 3 4.553 4.553 4.647 -0.094 25469 8912 1 16 . 1 1 3 3 SER C C 3 173.408 173.408 174.909 -1.501 25469 8913 1 16 . 1 1 3 3 SER CA C 3 58.273 58.273 57.122 1.151 25469 8914 1 16 . 1 1 3 3 SER CB C 3 63.940 63.940 64.686 -0.746 25469 8915 1 16 . 1 1 4 4 ASN N N 4 120.235 120.235 118.486 1.749 25469 8916 1 16 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.998 0.219 25469 8917 1 16 . 1 1 4 4 ASN C C 4 176.243 176.243 174.990 1.253 25469 8918 1 16 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.539 -0.495 25469 8919 1 16 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.404 0.328 25469 8920 1 16 . 1 1 4 4 ASN H H 4 8.774 8.774 8.764 0.010 25469 8921 1 16 . 1 1 5 5 VAL N N 5 122.554 122.554 120.152 2.402 25469 8922 1 16 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.164 -0.395 25469 8923 1 16 . 1 1 5 5 VAL C C 5 177.223 177.223 175.463 1.760 25469 8924 1 16 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.531 3.280 25469 8925 1 16 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.899 -2.025 25469 8926 1 16 . 1 1 5 5 VAL H H 5 8.315 8.315 7.093 1.222 25469 8927 1 16 . 1 1 6 6 THR N N 6 118.503 118.503 115.779 2.724 25469 8928 1 16 . 1 1 6 6 THR HA H 6 4.678 4.678 4.510 0.168 25469 8929 1 16 . 1 1 6 6 THR C C 6 174.350 174.350 173.698 0.652 25469 8930 1 16 . 1 1 6 6 THR CA C 6 60.560 60.560 61.361 -0.801 25469 8931 1 16 . 1 1 6 6 THR CB C 6 69.833 69.833 69.728 0.104 25469 8932 1 16 . 1 1 6 6 THR H H 6 9.394 9.394 8.372 1.022 25469 8933 1 16 . 1 1 7 7 ASN N N 7 120.872 120.872 118.918 1.954 25469 8934 1 16 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.590 -0.034 25469 8935 1 16 . 1 1 7 7 ASN C C 7 176.866 176.866 175.053 1.813 25469 8936 1 16 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.566 -0.669 25469 8937 1 16 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.253 -0.171 25469 8938 1 16 . 1 1 7 7 ASN H H 7 7.976 7.976 8.066 -0.090 25469 8939 1 16 . 1 1 8 8 LYS N N 8 121.728 121.728 120.118 1.610 25469 8940 1 16 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.312 -0.056 25469 8941 1 16 . 1 1 8 8 LYS C C 8 180.142 180.142 176.545 3.597 25469 8942 1 16 . 1 1 8 8 LYS CA C 8 58.200 58.200 56.676 1.524 25469 8943 1 16 . 1 1 8 8 LYS CB C 8 32.292 32.292 32.858 -0.566 25469 8944 1 16 . 1 1 8 8 LYS H H 8 8.572 8.572 8.117 0.455 25469 8945 1 16 . 1 1 9 9 THR N N 9 110.858 110.858 113.538 -2.680 25469 8946 1 16 . 1 1 9 9 THR HA H 9 4.463 4.463 4.373 0.090 25469 8947 1 16 . 1 1 9 9 THR C C 9 174.485 174.485 173.707 0.778 25469 8948 1 16 . 1 1 9 9 THR CA C 9 61.246 61.246 60.770 0.475 25469 8949 1 16 . 1 1 9 9 THR CB C 9 69.039 69.039 69.280 -0.241 25469 8950 1 16 . 1 1 9 9 THR H H 9 8.691 8.691 8.473 0.218 25469 8951 1 16 . 1 1 10 10 ASP N N 10 121.014 121.014 123.833 -2.819 25469 8952 1 16 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.753 0.072 25469 8953 1 16 . 1 1 10 10 ASP C C 10 173.946 173.946 176.112 -2.166 25469 8954 1 16 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.484 -0.921 25469 8955 1 16 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.007 -1.406 25469 8956 1 16 . 1 1 10 10 ASP H H 10 7.907 7.907 7.848 0.059 25469 8957 1 16 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.333 -0.178 25469 8958 1 16 . 1 1 11 11 PRO C C 11 178.421 178.421 176.646 1.775 25469 8959 1 16 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.712 1.529 25469 8960 1 16 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.046 0.152 25469 8961 1 16 . 1 1 12 12 ARG N N 12 116.361 116.361 115.181 1.180 25469 8962 1 16 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.508 -0.416 25469 8963 1 16 . 1 1 12 12 ARG C C 12 180.446 180.446 176.667 3.779 25469 8964 1 16 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.505 2.030 25469 8965 1 16 . 1 1 12 12 ARG CB C 12 29.250 29.250 30.959 -1.710 25469 8966 1 16 . 1 1 12 12 ARG H H 12 7.940 7.940 8.070 -0.130 25469 8967 1 16 . 1 1 13 13 SER N N 13 119.379 119.379 116.200 3.179 25469 8968 1 16 . 1 1 13 13 SER HA H 13 4.052 4.052 4.459 -0.407 25469 8969 1 16 . 1 1 13 13 SER C C 13 178.762 178.762 175.514 3.248 25469 8970 1 16 . 1 1 13 13 SER CA C 13 61.529 61.529 61.671 -0.142 25469 8971 1 16 . 1 1 13 13 SER CB C 13 61.778 61.778 63.295 -1.517 25469 8972 1 16 . 1 1 13 13 SER H H 13 8.143 8.143 8.291 -0.148 25469 8973 1 16 . 1 1 14 14 MET N N 14 120.327 120.327 113.330 6.997 25469 8974 1 16 . 1 1 14 14 MET HA H 14 4.097 4.097 4.527 -0.430 25469 8975 1 16 . 1 1 14 14 MET C C 14 178.576 178.576 175.623 2.953 25469 8976 1 16 . 1 1 14 14 MET CA C 14 58.293 58.293 56.979 1.314 25469 8977 1 16 . 1 1 14 14 MET CB C 14 31.813 31.813 33.069 -1.256 25469 8978 1 16 . 1 1 14 14 MET H H 14 8.238 8.238 7.555 0.683 25469 8979 1 16 . 1 1 15 15 ASN N N 15 115.378 115.378 117.846 -2.468 25469 8980 1 16 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.843 -0.218 25469 8981 1 16 . 1 1 15 15 ASN C C 15 172.556 172.556 176.702 -4.146 25469 8982 1 16 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.558 -0.529 25469 8983 1 16 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.883 -2.233 25469 8984 1 16 . 1 1 15 15 ASN H H 15 7.968 7.968 7.696 0.272 25469 8985 1 16 . 1 1 16 16 SER N N 16 106.215 106.215 115.280 -9.065 25469 8986 1 16 . 1 1 16 16 SER HA H 16 4.495 4.495 4.631 -0.136 25469 8987 1 16 . 1 1 16 16 SER C C 16 172.121 172.121 173.813 -1.692 25469 8988 1 16 . 1 1 16 16 SER CA C 16 56.785 56.785 59.190 -2.405 25469 8989 1 16 . 1 1 16 16 SER CB C 16 63.428 63.428 63.661 -0.233 25469 8990 1 16 . 1 1 16 16 SER H H 16 7.253 7.253 7.933 -0.680 25469 8991 1 16 . 1 1 17 17 ARG N N 17 123.348 123.348 122.795 0.553 25469 8992 1 16 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.284 0.308 25469 8993 1 16 . 1 1 17 17 ARG C C 17 174.491 174.491 174.638 -0.147 25469 8994 1 16 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.395 -1.016 25469 8995 1 16 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.284 -0.375 25469 8996 1 16 . 1 1 17 17 ARG H H 17 7.405 7.405 7.544 -0.139 25469 8997 1 16 . 1 1 18 18 VAL N N 18 122.328 122.328 122.945 -0.617 25469 8998 1 16 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.520 0.189 25469 8999 1 16 . 1 1 18 18 VAL C C 18 174.863 174.863 174.153 0.710 25469 9000 1 16 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.285 -0.628 25469 9001 1 16 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.351 -1.049 25469 9002 1 16 . 1 1 18 18 VAL H H 18 9.260 9.260 9.024 0.236 25469 9003 1 16 . 1 1 19 19 PHE N N 19 126.010 126.010 128.895 -2.885 25469 9004 1 16 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.303 0.163 25469 9005 1 16 . 1 1 19 19 PHE C C 19 171.967 171.967 173.487 -1.520 25469 9006 1 16 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.298 1.811 25469 9007 1 16 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.218 -0.195 25469 9008 1 16 . 1 1 19 19 PHE H H 19 9.159 9.159 9.206 -0.047 25469 9009 1 16 . 1 1 20 20 ILE N N 20 126.422 126.422 127.817 -1.395 25469 9010 1 16 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.098 -0.237 25469 9011 1 16 . 1 1 20 20 ILE C C 20 173.050 173.050 174.414 -1.364 25469 9012 1 16 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.975 -0.627 25469 9013 1 16 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.173 1.027 25469 9014 1 16 . 1 1 20 20 ILE H H 20 7.716 7.716 8.442 -0.726 25469 9015 1 16 . 1 1 21 21 GLY N N 21 113.182 113.182 110.946 2.236 25469 9016 1 16 . 1 1 21 21 GLY C C 21 173.769 173.769 173.810 -0.041 25469 9017 1 16 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.057 0.803 25469 9018 1 16 . 1 1 21 21 GLY H H 21 8.550 8.550 7.891 0.659 25469 9019 1 16 . 1 1 22 22 ASN N N 22 116.072 116.072 115.270 0.802 25469 9020 1 16 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.319 0.028 25469 9021 1 16 . 1 1 22 22 ASN C C 22 174.205 174.205 174.018 0.187 25469 9022 1 16 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.777 -0.344 25469 9023 1 16 . 1 1 22 22 ASN CB C 22 38.826 38.826 38.131 0.695 25469 9024 1 16 . 1 1 22 22 ASN H H 22 7.291 7.291 8.552 -1.261 25469 9025 1 16 . 1 1 23 23 LEU N N 23 118.873 118.873 118.311 0.562 25469 9026 1 16 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.652 -0.724 25469 9027 1 16 . 1 1 23 23 LEU C C 23 176.551 176.551 176.323 0.228 25469 9028 1 16 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.395 -0.730 25469 9029 1 16 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.231 0.118 25469 9030 1 16 . 1 1 23 23 LEU H H 23 7.279 7.279 7.837 -0.558 25469 9031 1 16 . 1 1 24 24 ASN N N 24 124.260 124.260 122.413 1.847 25469 9032 1 16 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.469 0.290 25469 9033 1 16 . 1 1 24 24 ASN C C 24 175.831 175.831 175.352 0.479 25469 9034 1 16 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.256 -3.616 25469 9035 1 16 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.492 -2.937 25469 9036 1 16 . 1 1 24 24 ASN H H 24 9.075 9.075 8.760 0.315 25469 9037 1 16 . 1 1 25 25 THR N N 25 118.101 118.101 106.640 11.461 25469 9038 1 16 . 1 1 25 25 THR HA H 25 4.377 4.377 4.113 0.264 25469 9039 1 16 . 1 1 25 25 THR C C 25 175.286 175.286 173.902 1.384 25469 9040 1 16 . 1 1 25 25 THR CA C 25 63.324 63.324 63.389 -0.065 25469 9041 1 16 . 1 1 25 25 THR CB C 25 67.439 67.439 67.466 -0.027 25469 9042 1 16 . 1 1 25 25 THR H H 25 8.226 8.226 8.027 0.199 25469 9043 1 16 . 1 1 26 26 LEU N N 26 121.285 121.285 117.188 4.097 25469 9044 1 16 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.424 -0.113 25469 9045 1 16 . 1 1 26 26 LEU C C 26 178.244 178.244 176.813 1.431 25469 9046 1 16 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.320 0.994 25469 9047 1 16 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.352 -1.024 25469 9048 1 16 . 1 1 26 26 LEU H H 26 7.670 7.670 7.736 -0.066 25469 9049 1 16 . 1 1 27 27 VAL N N 27 114.562 114.562 116.118 -1.556 25469 9050 1 16 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.245 -0.198 25469 9051 1 16 . 1 1 27 27 VAL C C 27 175.200 175.200 175.389 -0.189 25469 9052 1 16 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.837 0.194 25469 9053 1 16 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.104 2.078 25469 9054 1 16 . 1 1 27 27 VAL H H 27 6.790 6.790 7.570 -0.780 25469 9055 1 16 . 1 1 28 28 VAL N N 28 121.996 121.996 120.707 1.289 25469 9056 1 16 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.173 -0.314 25469 9057 1 16 . 1 1 28 28 VAL C C 28 174.352 174.352 174.881 -0.529 25469 9058 1 16 . 1 1 28 28 VAL CA C 28 63.192 63.192 62.046 1.146 25469 9059 1 16 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.646 -0.705 25469 9060 1 16 . 1 1 28 28 VAL H H 28 8.276 8.276 7.830 0.446 25469 9061 1 16 . 1 1 29 29 LYS N N 29 124.228 124.228 125.024 -0.796 25469 9062 1 16 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.729 -0.127 25469 9063 1 16 . 1 1 29 29 LYS C C 29 177.959 177.959 177.377 0.582 25469 9064 1 16 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.605 -0.959 25469 9065 1 16 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.492 -1.097 25469 9066 1 16 . 1 1 29 29 LYS H H 29 8.925 8.925 8.154 0.771 25469 9067 1 16 . 1 1 30 30 LYS N N 30 123.350 123.350 120.768 2.582 25469 9068 1 16 . 1 1 30 30 LYS HA H 30 3.654 3.654 3.982 -0.328 25469 9069 1 16 . 1 1 30 30 LYS C C 30 177.639 177.639 176.821 0.818 25469 9070 1 16 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.846 2.554 25469 9071 1 16 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.909 0.740 25469 9072 1 16 . 1 1 30 30 LYS H H 30 8.993 8.993 8.670 0.323 25469 9073 1 16 . 1 1 31 31 SER N N 31 111.465 111.465 113.534 -2.069 25469 9074 1 16 . 1 1 31 31 SER HA H 31 4.167 4.167 4.629 -0.462 25469 9075 1 16 . 1 1 31 31 SER C C 31 177.617 177.617 174.388 3.229 25469 9076 1 16 . 1 1 31 31 SER CA C 31 61.389 61.389 58.879 2.510 25469 9077 1 16 . 1 1 31 31 SER CB C 31 61.533 61.533 63.387 -1.854 25469 9078 1 16 . 1 1 31 31 SER H H 31 8.669 8.669 8.157 0.512 25469 9079 1 16 . 1 1 32 32 ASP N N 32 122.187 122.187 122.153 0.034 25469 9080 1 16 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.828 -0.308 25469 9081 1 16 . 1 1 32 32 ASP C C 32 178.194 178.194 178.193 0.001 25469 9082 1 16 . 1 1 32 32 ASP CA C 32 57.188 57.188 56.010 1.179 25469 9083 1 16 . 1 1 32 32 ASP CB C 32 41.847 41.847 41.990 -0.143 25469 9084 1 16 . 1 1 32 32 ASP H H 32 7.141 7.141 8.164 -1.023 25469 9085 1 16 . 1 1 33 33 VAL N N 33 120.138 120.138 120.336 -0.198 25469 9086 1 16 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.955 -0.494 25469 9087 1 16 . 1 1 33 33 VAL C C 33 178.624 178.624 176.734 1.890 25469 9088 1 16 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.880 0.494 25469 9089 1 16 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.630 -0.345 25469 9090 1 16 . 1 1 33 33 VAL H H 33 7.956 7.956 8.225 -0.269 25469 9091 1 16 . 1 1 34 34 GLU N N 34 118.717 118.717 116.355 2.362 25469 9092 1 16 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.193 -0.439 25469 9093 1 16 . 1 1 34 34 GLU C C 34 178.701 178.701 176.049 2.652 25469 9094 1 16 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.568 2.937 25469 9095 1 16 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.948 0.396 25469 9096 1 16 . 1 1 34 34 GLU H H 34 8.637 8.637 8.406 0.231 25469 9097 1 16 . 1 1 35 35 ALA N N 35 121.541 121.541 120.162 1.379 25469 9098 1 16 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.484 -0.335 25469 9099 1 16 . 1 1 35 35 ALA C C 35 180.483 180.483 177.602 2.881 25469 9100 1 16 . 1 1 35 35 ALA CA C 35 55.516 55.516 53.120 2.396 25469 9101 1 16 . 1 1 35 35 ALA CB C 35 18.048 18.048 19.721 -1.673 25469 9102 1 16 . 1 1 35 35 ALA H H 35 7.823 7.823 7.987 -0.164 25469 9103 1 16 . 1 1 36 36 ILE N N 36 117.449 117.449 117.161 0.288 25469 9104 1 16 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.134 -0.471 25469 9105 1 16 . 1 1 36 36 ILE C C 36 178.665 178.665 176.279 2.386 25469 9106 1 16 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.639 2.172 25469 9107 1 16 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.635 0.155 25469 9108 1 16 . 1 1 36 36 ILE H H 36 7.773 7.773 7.592 0.181 25469 9109 1 16 . 1 1 37 37 PHE N N 37 113.524 113.524 117.490 -3.966 25469 9110 1 16 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.970 -0.612 25469 9111 1 16 . 1 1 37 37 PHE C C 37 179.593 179.593 177.378 2.215 25469 9112 1 16 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.224 3.456 25469 9113 1 16 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.480 -3.270 25469 9114 1 16 . 1 1 37 37 PHE H H 37 8.566 8.566 8.316 0.250 25469 9115 1 16 . 1 1 38 38 SER N N 38 122.025 122.025 115.215 6.810 25469 9116 1 16 . 1 1 38 38 SER HA H 38 4.821 4.821 4.745 0.076 25469 9117 1 16 . 1 1 38 38 SER C C 38 175.439 175.439 175.407 0.032 25469 9118 1 16 . 1 1 38 38 SER CA C 38 61.519 61.519 59.747 1.772 25469 9119 1 16 . 1 1 38 38 SER CB C 38 62.765 62.765 62.824 -0.059 25469 9120 1 16 . 1 1 38 38 SER H H 38 8.834 8.834 8.541 0.293 25469 9121 1 16 . 1 1 39 39 LYS N N 39 119.387 119.387 117.787 1.600 25469 9122 1 16 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.085 -0.124 25469 9123 1 16 . 1 1 39 39 LYS C C 39 177.064 177.064 176.316 0.748 25469 9124 1 16 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.573 0.706 25469 9125 1 16 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.611 -0.025 25469 9126 1 16 . 1 1 39 39 LYS H H 39 7.054 7.054 8.038 -0.984 25469 9127 1 16 . 1 1 40 40 TYR N N 40 114.433 114.433 118.665 -4.232 25469 9128 1 16 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.603 -0.326 25469 9129 1 16 . 1 1 40 40 TYR C C 40 174.842 174.842 174.983 -0.141 25469 9130 1 16 . 1 1 40 40 TYR CA C 40 58.850 58.850 57.874 0.976 25469 9131 1 16 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.045 -1.618 25469 9132 1 16 . 1 1 40 40 TYR H H 40 6.956 6.956 7.476 -0.520 25469 9133 1 16 . 1 1 41 41 GLY N N 41 106.514 106.514 103.823 2.691 25469 9134 1 16 . 1 1 41 41 GLY C C 41 170.573 170.573 171.799 -1.226 25469 9135 1 16 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.817 -0.261 25469 9136 1 16 . 1 1 41 41 GLY H H 41 7.428 7.428 7.395 0.033 25469 9137 1 16 . 1 1 42 42 LYS N N 42 117.788 117.788 121.986 -4.198 25469 9138 1 16 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.362 -0.165 25469 9139 1 16 . 1 1 42 42 LYS C C 42 176.536 176.536 176.075 0.461 25469 9140 1 16 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.483 0.654 25469 9141 1 16 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.707 0.260 25469 9142 1 16 . 1 1 42 42 LYS H H 42 8.034 8.034 8.480 -0.446 25469 9143 1 16 . 1 1 43 43 ILE N N 43 127.104 127.104 127.561 -0.457 25469 9144 1 16 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.470 -0.446 25469 9145 1 16 . 1 1 43 43 ILE C C 43 176.993 176.993 176.703 0.290 25469 9146 1 16 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.912 -0.532 25469 9147 1 16 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.542 0.371 25469 9148 1 16 . 1 1 43 43 ILE H H 43 8.711 8.711 8.672 0.039 25469 9149 1 16 . 1 1 44 44 VAL N N 44 121.993 121.993 121.655 0.338 25469 9150 1 16 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.532 -0.168 25469 9151 1 16 . 1 1 44 44 VAL C C 44 176.853 176.853 175.282 1.571 25469 9152 1 16 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.111 0.747 25469 9153 1 16 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.417 -0.865 25469 9154 1 16 . 1 1 44 44 VAL H H 44 8.711 8.711 8.823 -0.112 25469 9155 1 16 . 1 1 45 45 GLY N N 45 109.507 109.507 107.239 2.268 25469 9156 1 16 . 1 1 45 45 GLY C C 45 171.266 171.266 172.044 -0.778 25469 9157 1 16 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.586 -0.577 25469 9158 1 16 . 1 1 45 45 GLY H H 45 7.530 7.530 7.566 -0.036 25469 9159 1 16 . 1 1 46 46 CYS N N 46 124.546 124.546 117.381 7.165 25469 9160 1 16 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.456 -0.425 25469 9161 1 16 . 1 1 46 46 CYS C C 46 172.073 172.073 172.352 -0.279 25469 9162 1 16 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.524 1.439 25469 9163 1 16 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.462 -3.119 25469 9164 1 16 . 1 1 46 46 CYS H H 46 8.982 8.982 9.267 -0.285 25469 9165 1 16 . 1 1 47 47 SER N N 47 122.933 122.933 115.915 7.018 25469 9166 1 16 . 1 1 47 47 SER HA H 47 4.908 4.908 4.743 0.165 25469 9167 1 16 . 1 1 47 47 SER C C 47 171.849 171.849 172.048 -0.199 25469 9168 1 16 . 1 1 47 47 SER CA C 47 56.585 56.585 57.445 -0.860 25469 9169 1 16 . 1 1 47 47 SER CB C 47 65.733 65.733 65.143 0.590 25469 9170 1 16 . 1 1 47 47 SER H H 47 8.569 8.569 8.886 -0.317 25469 9171 1 16 . 1 1 48 48 VAL N N 48 121.588 121.588 125.721 -4.133 25469 9172 1 16 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.232 -0.094 25469 9173 1 16 . 1 1 48 48 VAL C C 48 173.991 173.991 174.868 -0.877 25469 9174 1 16 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.053 1.257 25469 9175 1 16 . 1 1 48 48 VAL CB C 48 33.924 33.924 33.887 0.037 25469 9176 1 16 . 1 1 48 48 VAL H H 48 8.565 8.565 8.405 0.160 25469 9177 1 16 . 1 1 49 49 HIS N N 49 130.308 130.308 123.832 6.476 25469 9178 1 16 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.655 -0.223 25469 9179 1 16 . 1 1 49 49 HIS C C 49 173.950 173.950 173.851 0.099 25469 9180 1 16 . 1 1 49 49 HIS CA C 49 54.651 54.651 53.897 0.754 25469 9181 1 16 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.378 -0.825 25469 9182 1 16 . 1 1 49 49 HIS H H 49 8.441 8.441 8.821 -0.380 25469 9183 1 16 . 1 1 50 50 LYS N N 50 121.937 121.937 119.859 2.078 25469 9184 1 16 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.082 0.378 25469 9185 1 16 . 1 1 50 50 LYS C C 50 175.528 175.528 177.291 -1.763 25469 9186 1 16 . 1 1 50 50 LYS CA C 50 56.289 56.289 55.802 0.487 25469 9187 1 16 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.735 -1.257 25469 9188 1 16 . 1 1 50 50 LYS H H 50 7.926 7.926 8.191 -0.265 25469 9189 1 16 . 1 1 51 51 GLY N N 51 114.868 114.868 112.173 2.695 25469 9190 1 16 . 1 1 51 51 GLY C C 51 174.253 174.253 173.030 1.223 25469 9191 1 16 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.266 -0.745 25469 9192 1 16 . 1 1 51 51 GLY H H 51 8.644 8.644 8.775 -0.131 25469 9193 1 16 . 1 1 52 52 PHE N N 52 112.790 112.790 115.140 -2.350 25469 9194 1 16 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.638 -0.390 25469 9195 1 16 . 1 1 52 52 PHE C C 52 171.606 171.606 172.887 -1.281 25469 9196 1 16 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.337 0.893 25469 9197 1 16 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.411 -0.366 25469 9198 1 16 . 1 1 52 52 PHE H H 52 7.005 7.005 7.231 -0.226 25469 9199 1 16 . 1 1 53 53 ALA N N 53 119.858 119.858 119.550 0.308 25469 9200 1 16 . 1 1 53 53 ALA HA H 53 4.835 4.835 5.066 -0.231 25469 9201 1 16 . 1 1 53 53 ALA C C 53 173.030 173.030 174.611 -1.581 25469 9202 1 16 . 1 1 53 53 ALA CA C 53 50.346 50.346 50.944 -0.598 25469 9203 1 16 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.590 2.143 25469 9204 1 16 . 1 1 53 53 ALA H H 53 8.724 8.724 8.605 0.119 25469 9205 1 16 . 1 1 54 54 PHE N N 54 112.158 112.158 116.353 -4.195 25469 9206 1 16 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.676 -0.096 25469 9207 1 16 . 1 1 54 54 PHE C C 54 175.765 175.765 174.157 1.608 25469 9208 1 16 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.006 -0.402 25469 9209 1 16 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.478 -0.184 25469 9210 1 16 . 1 1 54 54 PHE H H 54 8.764 8.764 9.170 -0.406 25469 9211 1 16 . 1 1 55 55 VAL N N 55 118.628 118.628 121.326 -2.698 25469 9212 1 16 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.496 -0.284 25469 9213 1 16 . 1 1 55 55 VAL C C 55 172.807 172.807 173.685 -0.878 25469 9214 1 16 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.083 0.794 25469 9215 1 16 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.845 -0.892 25469 9216 1 16 . 1 1 55 55 VAL H H 55 8.310 8.310 8.960 -0.650 25469 9217 1 16 . 1 1 56 56 GLN N N 56 128.402 128.402 124.524 3.878 25469 9218 1 16 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.775 -0.210 25469 9219 1 16 . 1 1 56 56 GLN C C 56 173.894 173.894 174.209 -0.315 25469 9220 1 16 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.931 0.282 25469 9221 1 16 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.784 0.322 25469 9222 1 16 . 1 1 56 56 GLN H H 56 9.253 9.253 8.922 0.331 25469 9223 1 16 . 1 1 57 57 TYR N N 57 127.617 127.617 124.291 3.326 25469 9224 1 16 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.376 -0.095 25469 9225 1 16 . 1 1 57 57 TYR C C 57 175.610 175.610 176.872 -1.262 25469 9226 1 16 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.579 2.112 25469 9227 1 16 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.972 -0.903 25469 9228 1 16 . 1 1 57 57 TYR H H 57 8.919 8.919 9.015 -0.096 25469 9229 1 16 . 1 1 58 58 VAL N N 58 116.705 116.705 118.756 -2.051 25469 9230 1 16 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.878 0.235 25469 9231 1 16 . 1 1 58 58 VAL C C 58 175.860 175.860 175.710 0.150 25469 9232 1 16 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.492 -0.463 25469 9233 1 16 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.227 0.821 25469 9234 1 16 . 1 1 58 58 VAL H H 58 9.458 9.458 8.801 0.657 25469 9235 1 16 . 1 1 59 59 ASN N N 59 112.563 112.563 113.643 -1.080 25469 9236 1 16 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.841 0.309 25469 9237 1 16 . 1 1 59 59 ASN C C 59 174.483 174.483 174.452 0.031 25469 9238 1 16 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.342 -0.390 25469 9239 1 16 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.133 2.045 25469 9240 1 16 . 1 1 59 59 ASN H H 59 7.230 7.230 7.425 -0.195 25469 9241 1 16 . 1 1 60 60 GLU N N 60 124.320 124.320 119.665 4.655 25469 9242 1 16 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.208 0.107 25469 9243 1 16 . 1 1 60 60 GLU C C 60 178.202 178.202 177.883 0.319 25469 9244 1 16 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.498 -0.717 25469 9245 1 16 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.743 0.635 25469 9246 1 16 . 1 1 60 60 GLU H H 60 8.807 8.807 8.924 -0.117 25469 9247 1 16 . 1 1 61 61 ARG N N 61 118.347 118.347 119.025 -0.678 25469 9248 1 16 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.053 -0.063 25469 9249 1 16 . 1 1 61 61 ARG C C 61 179.341 179.341 178.453 0.888 25469 9250 1 16 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.512 0.955 25469 9251 1 16 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.777 -0.376 25469 9252 1 16 . 1 1 61 61 ARG H H 61 8.620 8.620 8.330 0.290 25469 9253 1 16 . 1 1 62 62 ASN N N 62 118.085 118.085 117.654 0.431 25469 9254 1 16 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.308 -0.031 25469 9255 1 16 . 1 1 62 62 ASN C C 62 174.852 174.852 176.714 -1.862 25469 9256 1 16 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.305 0.160 25469 9257 1 16 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.111 0.896 25469 9258 1 16 . 1 1 62 62 ASN H H 62 7.781 7.781 7.850 -0.069 25469 9259 1 16 . 1 1 63 63 ALA N N 63 119.580 119.580 123.429 -3.849 25469 9260 1 16 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.404 -0.656 25469 9261 1 16 . 1 1 63 63 ALA C C 63 178.862 178.862 179.205 -0.343 25469 9262 1 16 . 1 1 63 63 ALA CA C 63 54.961 54.961 55.062 -0.101 25469 9263 1 16 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.769 -0.228 25469 9264 1 16 . 1 1 63 63 ALA H H 63 6.775 6.775 7.452 -0.677 25469 9265 1 16 . 1 1 64 64 ARG N N 64 114.991 114.991 118.345 -3.354 25469 9266 1 16 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.151 -0.311 25469 9267 1 16 . 1 1 64 64 ARG C C 64 179.776 179.776 178.604 1.172 25469 9268 1 16 . 1 1 64 64 ARG CA C 64 60.182 60.182 58.953 1.229 25469 9269 1 16 . 1 1 64 64 ARG CB C 64 29.247 29.247 30.272 -1.025 25469 9270 1 16 . 1 1 64 64 ARG H H 64 8.737 8.737 8.192 0.545 25469 9271 1 16 . 1 1 65 65 ALA N N 65 123.698 123.698 121.773 1.925 25469 9272 1 16 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.261 -0.134 25469 9273 1 16 . 1 1 65 65 ALA C C 65 179.561 179.561 178.384 1.177 25469 9274 1 16 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.492 0.456 25469 9275 1 16 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.356 -0.465 25469 9276 1 16 . 1 1 65 65 ALA H H 65 7.820 7.820 7.558 0.262 25469 9277 1 16 . 1 1 66 66 ALA N N 66 123.811 123.811 120.187 3.624 25469 9278 1 16 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.734 -1.667 25469 9279 1 16 . 1 1 66 66 ALA C C 66 179.260 179.260 179.426 -0.166 25469 9280 1 16 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.465 -0.156 25469 9281 1 16 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.102 0.206 25469 9282 1 16 . 1 1 66 66 ALA H H 66 7.538 7.538 7.406 0.132 25469 9283 1 16 . 1 1 67 67 VAL N N 67 116.571 116.571 118.281 -1.710 25469 9284 1 16 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.699 -0.344 25469 9285 1 16 . 1 1 67 67 VAL C C 67 177.744 177.744 177.481 0.263 25469 9286 1 16 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.762 -0.232 25469 9287 1 16 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.669 0.298 25469 9288 1 16 . 1 1 67 67 VAL H H 67 7.612 7.612 8.375 -0.763 25469 9289 1 16 . 1 1 68 68 ALA N N 68 118.239 118.239 120.248 -2.009 25469 9290 1 16 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.318 -0.197 25469 9291 1 16 . 1 1 68 68 ALA C C 68 180.749 180.749 178.151 2.598 25469 9292 1 16 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.458 0.894 25469 9293 1 16 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.703 -0.606 25469 9294 1 16 . 1 1 68 68 ALA H H 68 7.549 7.549 7.532 0.017 25469 9295 1 16 . 1 1 69 69 GLY N N 69 103.748 103.748 105.223 -1.475 25469 9296 1 16 . 1 1 69 69 GLY C C 69 175.627 175.627 174.932 0.695 25469 9297 1 16 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.047 1.038 25469 9298 1 16 . 1 1 69 69 GLY H H 69 8.135 8.135 7.316 0.819 25469 9299 1 16 . 1 1 70 70 GLU N N 70 114.571 114.571 116.241 -1.670 25469 9300 1 16 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.380 0.252 25469 9301 1 16 . 1 1 70 70 GLU C C 70 176.392 176.392 175.033 1.359 25469 9302 1 16 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.904 -0.706 25469 9303 1 16 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.935 -0.563 25469 9304 1 16 . 1 1 70 70 GLU H H 70 7.653 7.653 7.585 0.068 25469 9305 1 16 . 1 1 71 71 ASP N N 71 118.127 118.127 121.164 -3.037 25469 9306 1 16 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.357 -0.072 25469 9307 1 16 . 1 1 71 71 ASP C C 71 178.699 178.699 177.045 1.654 25469 9308 1 16 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.028 1.514 25469 9309 1 16 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.181 1.189 25469 9310 1 16 . 1 1 71 71 ASP H H 71 8.026 8.026 7.595 0.431 25469 9311 1 16 . 1 1 72 72 GLY N N 72 114.353 114.353 113.716 0.637 25469 9312 1 16 . 1 1 72 72 GLY C C 72 173.792 173.792 174.385 -0.593 25469 9313 1 16 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.120 0.639 25469 9314 1 16 . 1 1 72 72 GLY H H 72 8.292 8.292 8.111 0.181 25469 9315 1 16 . 1 1 73 73 ARG N N 73 121.996 121.996 119.382 2.614 25469 9316 1 16 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.433 -0.247 25469 9317 1 16 . 1 1 73 73 ARG C C 73 175.188 175.188 174.843 0.345 25469 9318 1 16 . 1 1 73 73 ARG CA C 73 56.476 56.476 55.084 1.392 25469 9319 1 16 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.208 0.111 25469 9320 1 16 . 1 1 73 73 ARG H H 73 7.981 7.981 8.056 -0.075 25469 9321 1 16 . 1 1 74 74 MET N N 74 125.120 125.120 120.592 4.528 25469 9322 1 16 . 1 1 74 74 MET HA H 74 4.795 4.795 4.767 0.028 25469 9323 1 16 . 1 1 74 74 MET C C 74 175.727 175.727 174.907 0.820 25469 9324 1 16 . 1 1 74 74 MET CA C 74 55.054 55.054 54.627 0.427 25469 9325 1 16 . 1 1 74 74 MET CB C 74 33.076 33.076 34.450 -1.374 25469 9326 1 16 . 1 1 74 74 MET H H 74 8.710 8.710 8.319 0.391 25469 9327 1 16 . 1 1 75 75 ILE N N 75 127.530 127.530 125.693 1.837 25469 9328 1 16 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.433 -0.046 25469 9329 1 16 . 1 1 75 75 ILE C C 75 175.277 175.277 175.630 -0.353 25469 9330 1 16 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.596 -0.865 25469 9331 1 16 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.432 -1.025 25469 9332 1 16 . 1 1 75 75 ILE H H 75 8.583 8.583 8.871 -0.288 25469 9333 1 16 . 1 1 76 76 ALA N N 76 132.166 132.166 130.064 2.102 25469 9334 1 16 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.993 0.039 25469 9335 1 16 . 1 1 76 76 ALA C C 76 177.206 177.206 177.725 -0.519 25469 9336 1 16 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.239 -0.367 25469 9337 1 16 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.351 -0.103 25469 9338 1 16 . 1 1 76 76 ALA H H 76 9.540 9.540 9.037 0.503 25469 9339 1 16 . 1 1 77 77 GLY N N 77 101.685 101.685 102.823 -1.138 25469 9340 1 16 . 1 1 77 77 GLY C C 77 174.206 174.206 173.895 0.311 25469 9341 1 16 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.879 0.888 25469 9342 1 16 . 1 1 77 77 GLY H H 77 8.446 8.446 8.353 0.093 25469 9343 1 16 . 1 1 78 78 GLN N N 78 118.947 118.947 120.037 -1.090 25469 9344 1 16 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.660 0.071 25469 9345 1 16 . 1 1 78 78 GLN C C 78 174.047 174.047 174.806 -0.759 25469 9346 1 16 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.428 -0.167 25469 9347 1 16 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.825 0.280 25469 9348 1 16 . 1 1 78 78 GLN H H 78 7.708 7.708 8.113 -0.405 25469 9349 1 16 . 1 1 79 79 VAL N N 79 123.383 123.383 126.647 -3.264 25469 9350 1 16 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.466 -0.452 25469 9351 1 16 . 1 1 79 79 VAL C C 79 176.348 176.348 176.344 0.004 25469 9352 1 16 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.670 -1.002 25469 9353 1 16 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.262 -0.133 25469 9354 1 16 . 1 1 79 79 VAL H H 79 8.570 8.570 8.532 0.038 25469 9355 1 16 . 1 1 80 80 LEU N N 80 128.544 128.544 126.561 1.983 25469 9356 1 16 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.690 -0.382 25469 9357 1 16 . 1 1 80 80 LEU C C 80 176.522 176.522 176.164 0.358 25469 9358 1 16 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.365 2.536 25469 9359 1 16 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.984 -1.085 25469 9360 1 16 . 1 1 80 80 LEU H H 80 9.002 9.002 8.472 0.530 25469 9361 1 16 . 1 1 81 81 ASP N N 81 124.135 124.135 121.744 2.391 25469 9362 1 16 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.263 -0.042 25469 9363 1 16 . 1 1 81 81 ASP C C 81 174.660 174.660 174.766 -0.106 25469 9364 1 16 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.170 -0.183 25469 9365 1 16 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.784 -0.017 25469 9366 1 16 . 1 1 81 81 ASP H H 81 7.718 7.718 8.332 -0.614 25469 9367 1 16 . 1 1 82 82 ILE N N 82 123.344 123.344 125.282 -1.938 25469 9368 1 16 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.810 0.587 25469 9369 1 16 . 1 1 82 82 ILE C C 82 174.521 174.521 174.572 -0.051 25469 9370 1 16 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.827 -0.693 25469 9371 1 16 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.797 0.169 25469 9372 1 16 . 1 1 82 82 ILE H H 82 9.071 9.071 8.841 0.230 25469 9373 1 16 . 1 1 83 83 ASN N N 83 116.447 116.447 121.885 -5.438 25469 9374 1 16 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.019 -0.177 25469 9375 1 16 . 1 1 83 83 ASN C C 83 174.566 174.566 173.803 0.763 25469 9376 1 16 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.093 1.035 25469 9377 1 16 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.529 0.545 25469 9378 1 16 . 1 1 83 83 ASN H H 83 8.494 8.494 8.785 -0.291 25469 9379 1 16 . 1 1 84 84 LEU N N 84 123.786 123.786 124.337 -0.551 25469 9380 1 16 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.347 0.373 25469 9381 1 16 . 1 1 84 84 LEU C C 84 180.969 180.969 177.981 2.988 25469 9382 1 16 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.972 0.385 25469 9383 1 16 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.342 -1.023 25469 9384 1 16 . 1 1 84 84 LEU H H 84 9.414 9.414 8.883 0.531 25469 9385 1 16 . 1 1 85 85 ALA N N 85 127.577 127.577 129.124 -1.547 25469 9386 1 16 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.274 -0.226 25469 9387 1 16 . 1 1 85 85 ALA C C 85 177.932 177.932 176.601 1.331 25469 9388 1 16 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.409 1.940 25469 9389 1 16 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.028 -1.041 25469 9390 1 16 . 1 1 85 85 ALA H H 85 9.279 9.279 8.240 1.039 25469 9391 1 16 . 1 1 86 86 ALA N N 86 116.071 116.071 116.900 -0.829 25469 9392 1 16 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.405 0.006 25469 9393 1 16 . 1 1 86 86 ALA C C 86 176.153 176.153 176.510 -0.357 25469 9394 1 16 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.051 -0.322 25469 9395 1 16 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.605 -0.295 25469 9396 1 16 . 1 1 86 86 ALA H H 86 8.687 8.687 8.039 0.648 25469 9397 1 16 . 1 1 87 87 GLU N N 87 118.959 118.959 119.730 -0.771 25469 9398 1 16 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.644 0.092 25469 9399 1 16 . 1 1 87 87 GLU C C 87 171.677 171.677 173.769 -2.092 25469 9400 1 16 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.261 -0.090 25469 9401 1 16 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.165 -0.192 25469 9402 1 16 . 1 1 87 87 GLU H H 87 7.901 7.901 7.792 0.109 25469 9403 1 16 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.474 -0.131 25469 9404 1 16 . 1 1 88 88 PRO C C 88 177.303 177.303 177.727 -0.424 25469 9405 1 16 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.035 -0.117 25469 9406 1 16 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.360 -0.462 25469 9407 1 16 . 1 1 89 89 LYS N N 89 121.298 121.298 123.411 -2.113 25469 9408 1 16 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.082 0.145 25469 9409 1 16 . 1 1 89 89 LYS C C 89 177.690 177.690 176.761 0.929 25469 9410 1 16 . 1 1 89 89 LYS CA C 89 56.802 56.802 58.231 -1.429 25469 9411 1 16 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.248 1.256 25469 9412 1 16 . 1 1 89 89 LYS H H 89 7.973 7.973 8.480 -0.507 25469 9413 1 16 . 1 1 90 90 VAL N N 90 120.788 120.788 116.306 4.482 25469 9414 1 16 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.123 -0.194 25469 9415 1 16 . 1 1 90 90 VAL C C 90 176.170 176.170 175.958 0.212 25469 9416 1 16 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.486 0.731 25469 9417 1 16 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.709 -1.363 25469 9418 1 16 . 1 1 90 90 VAL H H 90 8.216 8.216 7.850 0.366 25469 9419 1 16 . 1 1 91 91 ASN N N 91 119.438 119.438 118.264 1.174 25469 9420 1 16 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.891 -0.232 25469 9421 1 16 . 1 1 91 91 ASN C C 91 175.173 175.173 175.804 -0.631 25469 9422 1 16 . 1 1 91 91 ASN CA C 91 53.037 53.037 52.875 0.162 25469 9423 1 16 . 1 1 91 91 ASN CB C 91 38.167 38.167 40.067 -1.900 25469 9424 1 16 . 1 1 91 91 ASN H H 91 8.451 8.451 8.164 0.287 25469 9425 1 16 . 1 1 92 92 ARG N N 92 120.958 120.958 120.054 0.904 25469 9426 1 16 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.017 0.220 25469 9427 1 16 . 1 1 92 92 ARG C C 92 177.002 177.002 176.056 0.946 25469 9428 1 16 . 1 1 92 92 ARG CA C 92 56.644 56.644 57.763 -1.119 25469 9429 1 16 . 1 1 92 92 ARG CB C 92 30.526 30.526 29.690 0.836 25469 9430 1 16 . 1 1 92 92 ARG H H 92 7.978 7.978 8.415 -0.437 25469 9431 1 16 . 1 1 93 93 GLY N N 93 110.275 110.275 106.576 3.699 25469 9432 1 16 . 1 1 93 93 GLY C C 93 174.246 174.246 173.794 0.452 25469 9433 1 16 . 1 1 93 93 GLY CA C 93 45.384 45.384 44.814 0.570 25469 9434 1 16 . 1 1 93 93 GLY H H 93 8.604 8.604 7.966 0.638 25469 9435 1 16 . 1 1 94 94 LYS N N 94 120.750 120.750 119.450 1.300 25469 9436 1 16 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.423 -0.126 25469 9437 1 16 . 1 1 94 94 LYS C C 94 176.525 176.525 175.188 1.337 25469 9438 1 16 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.718 -0.674 25469 9439 1 16 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.287 -0.262 25469 9440 1 16 . 1 1 94 94 LYS H H 94 8.113 8.113 8.603 -0.490 25469 9441 1 16 . 1 1 95 95 ALA N N 95 124.912 124.912 120.701 4.211 25469 9442 1 16 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.907 -0.608 25469 9443 1 16 . 1 1 95 95 ALA C C 95 178.325 178.325 176.934 1.391 25469 9444 1 16 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.553 1.199 25469 9445 1 16 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.740 -1.600 25469 9446 1 16 . 1 1 95 95 ALA H H 95 8.367 8.367 7.505 0.862 25469 9447 1 16 . 1 1 96 96 GLY N N 96 108.328 108.328 107.348 0.980 25469 9448 1 16 . 1 1 96 96 GLY C C 96 174.096 174.096 174.364 -0.268 25469 9449 1 16 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.228 0.013 25469 9450 1 16 . 1 1 96 96 GLY H H 96 8.390 8.390 8.646 -0.256 25469 9451 1 16 . 1 1 97 97 VAL N N 97 119.774 119.774 119.485 0.289 25469 9452 1 16 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.126 -0.049 25469 9453 1 16 . 1 1 97 97 VAL C C 97 176.156 176.156 175.797 0.359 25469 9454 1 16 . 1 1 97 97 VAL CA C 97 62.299 62.299 62.428 -0.129 25469 9455 1 16 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.754 0.100 25469 9456 1 16 . 1 1 97 97 VAL H H 97 7.925 7.925 7.488 0.437 25469 9457 1 16 . 1 1 98 98 LYS N N 98 126.024 126.024 123.556 2.468 25469 9458 1 16 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.561 -0.235 25469 9459 1 16 . 1 1 98 98 LYS C C 98 176.427 176.427 175.935 0.492 25469 9460 1 16 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.854 0.247 25469 9461 1 16 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.332 0.729 25469 9462 1 16 . 1 1 98 98 LYS H H 98 8.473 8.473 8.415 0.058 25469 9463 1 16 . 1 1 99 99 ARG N N 99 123.644 123.644 118.738 4.906 25469 9464 1 16 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.584 -0.205 25469 9465 1 16 . 1 1 99 99 ARG C C 99 176.231 176.231 176.095 0.136 25469 9466 1 16 . 1 1 99 99 ARG CA C 99 55.932 55.932 54.649 1.283 25469 9467 1 16 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.587 -0.320 25469 9468 1 16 . 1 1 99 99 ARG H H 99 8.464 8.464 7.498 0.966 25469 9469 1 16 . 1 1 100 100 SER N N 100 117.863 117.863 116.235 1.628 25469 9470 1 16 . 1 1 100 100 SER HA H 100 4.449 4.449 4.393 0.056 25469 9471 1 16 . 1 1 100 100 SER C C 100 174.556 174.556 175.260 -0.704 25469 9472 1 16 . 1 1 100 100 SER CA C 100 57.985 57.985 59.622 -1.637 25469 9473 1 16 . 1 1 100 100 SER CB C 100 64.167 64.167 63.256 0.911 25469 9474 1 16 . 1 1 100 100 SER H H 100 8.516 8.516 8.738 -0.222 25469 9475 1 16 . 1 1 101 101 ALA N N 101 126.048 126.048 120.980 5.068 25469 9476 1 16 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.045 0.212 25469 9477 1 16 . 1 1 101 101 ALA C C 101 178.047 178.047 176.641 1.406 25469 9478 1 16 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.524 -0.176 25469 9479 1 16 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.967 0.978 25469 9480 1 16 . 1 1 101 101 ALA H H 101 8.538 8.538 7.979 0.559 25469 9481 1 16 . 1 1 102 102 ALA N N 102 121.566 121.566 119.697 1.869 25469 9482 1 16 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.631 -0.406 25469 9483 1 16 . 1 1 102 102 ALA C C 102 178.254 178.254 178.250 0.004 25469 9484 1 16 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.126 0.919 25469 9485 1 16 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.481 -0.438 25469 9486 1 16 . 1 1 102 102 ALA H H 102 8.212 8.212 8.125 0.087 25469 9487 1 16 . 1 1 103 103 GLU N N 103 118.735 118.735 118.918 -0.183 25469 9488 1 16 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.200 0.001 25469 9489 1 16 . 1 1 103 103 GLU C C 103 176.516 176.516 176.883 -0.367 25469 9490 1 16 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.309 -1.653 25469 9491 1 16 . 1 1 103 103 GLU CB C 103 30.227 30.227 28.961 1.266 25469 9492 1 16 . 1 1 103 103 GLU H H 103 8.071 8.071 8.850 -0.779 25469 9493 1 16 . 1 1 104 104 MET N N 104 120.106 120.106 116.473 3.633 25469 9494 1 16 . 1 1 104 104 MET HA H 104 4.326 4.326 4.305 0.021 25469 9495 1 16 . 1 1 104 104 MET C C 104 175.862 175.862 175.177 0.685 25469 9496 1 16 . 1 1 104 104 MET CA C 104 55.939 55.939 55.538 0.401 25469 9497 1 16 . 1 1 104 104 MET CB C 104 32.999 32.999 33.130 -0.131 25469 9498 1 16 . 1 1 104 104 MET H H 104 8.073 8.073 7.938 0.135 25469 9499 1 16 . 1 1 105 105 TYR N N 105 120.285 120.285 116.281 4.004 25469 9500 1 16 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.696 -0.043 25469 9501 1 16 . 1 1 105 105 TYR C C 105 175.319 175.319 176.716 -1.397 25469 9502 1 16 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.618 -0.023 25469 9503 1 16 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.329 -0.390 25469 9504 1 16 . 1 1 105 105 TYR H H 105 8.126 8.126 7.682 0.444 25469 9505 1 17 . 1 1 3 3 SER HA H 3 4.553 4.553 4.471 0.082 25469 9506 1 17 . 1 1 3 3 SER C C 3 173.408 173.408 174.757 -1.349 25469 9507 1 17 . 1 1 3 3 SER CA C 3 58.273 58.273 58.078 0.195 25469 9508 1 17 . 1 1 3 3 SER CB C 3 63.940 63.940 64.386 -0.446 25469 9509 1 17 . 1 1 4 4 ASN N N 4 120.235 120.235 118.892 1.343 25469 9510 1 17 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.572 0.645 25469 9511 1 17 . 1 1 4 4 ASN C C 4 176.243 176.243 173.475 2.768 25469 9512 1 17 . 1 1 4 4 ASN CA C 4 53.044 53.044 54.230 -1.186 25469 9513 1 17 . 1 1 4 4 ASN CB C 4 38.732 38.732 37.999 0.733 25469 9514 1 17 . 1 1 4 4 ASN H H 4 8.774 8.774 8.636 0.139 25469 9515 1 17 . 1 1 5 5 VAL N N 5 122.554 122.554 118.072 4.482 25469 9516 1 17 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.276 -0.507 25469 9517 1 17 . 1 1 5 5 VAL C C 5 177.223 177.223 175.078 2.145 25469 9518 1 17 . 1 1 5 5 VAL CA C 5 65.811 65.811 61.658 4.153 25469 9519 1 17 . 1 1 5 5 VAL CB C 5 30.874 30.874 34.416 -3.542 25469 9520 1 17 . 1 1 5 5 VAL H H 5 8.315 8.315 7.552 0.763 25469 9521 1 17 . 1 1 6 6 THR N N 6 118.503 118.503 114.599 3.904 25469 9522 1 17 . 1 1 6 6 THR HA H 6 4.678 4.678 4.463 0.215 25469 9523 1 17 . 1 1 6 6 THR C C 6 174.350 174.350 173.413 0.937 25469 9524 1 17 . 1 1 6 6 THR CA C 6 60.560 60.560 61.188 -0.628 25469 9525 1 17 . 1 1 6 6 THR CB C 6 69.833 69.833 70.003 -0.170 25469 9526 1 17 . 1 1 6 6 THR H H 6 9.394 9.394 8.259 1.135 25469 9527 1 17 . 1 1 7 7 ASN N N 7 120.872 120.872 119.555 1.317 25469 9528 1 17 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.609 -0.053 25469 9529 1 17 . 1 1 7 7 ASN C C 7 176.866 176.866 174.017 2.849 25469 9530 1 17 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.904 -1.006 25469 9531 1 17 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.698 -0.616 25469 9532 1 17 . 1 1 7 7 ASN H H 7 7.976 7.976 8.079 -0.103 25469 9533 1 17 . 1 1 8 8 LYS N N 8 121.728 121.728 123.663 -1.935 25469 9534 1 17 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.667 -0.411 25469 9535 1 17 . 1 1 8 8 LYS C C 8 180.142 180.142 175.644 4.498 25469 9536 1 17 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.818 2.382 25469 9537 1 17 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.778 -3.486 25469 9538 1 17 . 1 1 8 8 LYS H H 8 8.572 8.572 8.020 0.552 25469 9539 1 17 . 1 1 9 9 THR N N 9 110.858 110.858 112.018 -1.160 25469 9540 1 17 . 1 1 9 9 THR HA H 9 4.463 4.463 4.463 0.000 25469 9541 1 17 . 1 1 9 9 THR C C 9 174.485 174.485 173.702 0.783 25469 9542 1 17 . 1 1 9 9 THR CA C 9 61.246 61.246 60.872 0.374 25469 9543 1 17 . 1 1 9 9 THR CB C 9 69.039 69.039 69.305 -0.266 25469 9544 1 17 . 1 1 9 9 THR H H 9 8.691 8.691 8.585 0.106 25469 9545 1 17 . 1 1 10 10 ASP N N 10 121.014 121.014 124.201 -3.187 25469 9546 1 17 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.733 0.092 25469 9547 1 17 . 1 1 10 10 ASP C C 10 173.946 173.946 176.705 -2.759 25469 9548 1 17 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.408 -0.844 25469 9549 1 17 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.420 -1.819 25469 9550 1 17 . 1 1 10 10 ASP H H 10 7.907 7.907 7.926 -0.019 25469 9551 1 17 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.374 -0.219 25469 9552 1 17 . 1 1 11 11 PRO C C 11 178.421 178.421 176.504 1.917 25469 9553 1 17 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.623 1.618 25469 9554 1 17 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.118 0.080 25469 9555 1 17 . 1 1 12 12 ARG N N 12 116.361 116.361 116.307 0.054 25469 9556 1 17 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.534 -0.442 25469 9557 1 17 . 1 1 12 12 ARG C C 12 180.446 180.446 176.861 3.585 25469 9558 1 17 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.512 2.023 25469 9559 1 17 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.243 -1.993 25469 9560 1 17 . 1 1 12 12 ARG H H 12 7.940 7.940 8.077 -0.137 25469 9561 1 17 . 1 1 13 13 SER N N 13 119.379 119.379 116.199 3.180 25469 9562 1 17 . 1 1 13 13 SER HA H 13 4.052 4.052 4.520 -0.468 25469 9563 1 17 . 1 1 13 13 SER C C 13 178.762 178.762 175.612 3.150 25469 9564 1 17 . 1 1 13 13 SER CA C 13 61.529 61.529 61.612 -0.083 25469 9565 1 17 . 1 1 13 13 SER CB C 13 61.778 61.778 63.400 -1.622 25469 9566 1 17 . 1 1 13 13 SER H H 13 8.143 8.143 8.269 -0.126 25469 9567 1 17 . 1 1 14 14 MET N N 14 120.327 120.327 114.436 5.891 25469 9568 1 17 . 1 1 14 14 MET HA H 14 4.097 4.097 4.491 -0.394 25469 9569 1 17 . 1 1 14 14 MET C C 14 178.576 178.576 175.479 3.097 25469 9570 1 17 . 1 1 14 14 MET CA C 14 58.293 58.293 57.227 1.065 25469 9571 1 17 . 1 1 14 14 MET CB C 14 31.813 31.813 33.078 -1.265 25469 9572 1 17 . 1 1 14 14 MET H H 14 8.238 8.238 7.685 0.553 25469 9573 1 17 . 1 1 15 15 ASN N N 15 115.378 115.378 117.091 -1.713 25469 9574 1 17 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.824 -0.199 25469 9575 1 17 . 1 1 15 15 ASN C C 15 172.556 172.556 176.662 -4.106 25469 9576 1 17 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.515 -0.486 25469 9577 1 17 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.488 -1.838 25469 9578 1 17 . 1 1 15 15 ASN H H 15 7.968 7.968 7.513 0.455 25469 9579 1 17 . 1 1 16 16 SER N N 16 106.215 106.215 114.994 -8.779 25469 9580 1 17 . 1 1 16 16 SER HA H 16 4.495 4.495 4.629 -0.134 25469 9581 1 17 . 1 1 16 16 SER C C 16 172.121 172.121 173.808 -1.687 25469 9582 1 17 . 1 1 16 16 SER CA C 16 56.785 56.785 59.109 -2.324 25469 9583 1 17 . 1 1 16 16 SER CB C 16 63.428 63.428 63.651 -0.223 25469 9584 1 17 . 1 1 16 16 SER H H 16 7.253 7.253 7.827 -0.574 25469 9585 1 17 . 1 1 17 17 ARG N N 17 123.348 123.348 122.729 0.619 25469 9586 1 17 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.270 0.322 25469 9587 1 17 . 1 1 17 17 ARG C C 17 174.491 174.491 174.648 -0.157 25469 9588 1 17 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.337 -0.958 25469 9589 1 17 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.348 -0.439 25469 9590 1 17 . 1 1 17 17 ARG H H 17 7.405 7.405 7.516 -0.111 25469 9591 1 17 . 1 1 18 18 VAL N N 18 122.328 122.328 123.051 -0.723 25469 9592 1 17 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.626 0.083 25469 9593 1 17 . 1 1 18 18 VAL C C 18 174.863 174.863 174.140 0.723 25469 9594 1 17 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.274 -0.617 25469 9595 1 17 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.302 -1.000 25469 9596 1 17 . 1 1 18 18 VAL H H 18 9.260 9.260 9.004 0.256 25469 9597 1 17 . 1 1 19 19 PHE N N 19 126.010 126.010 128.762 -2.752 25469 9598 1 17 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.327 0.139 25469 9599 1 17 . 1 1 19 19 PHE C C 19 171.967 171.967 173.496 -1.529 25469 9600 1 17 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.502 1.607 25469 9601 1 17 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.457 -0.434 25469 9602 1 17 . 1 1 19 19 PHE H H 19 9.159 9.159 9.207 -0.048 25469 9603 1 17 . 1 1 20 20 ILE N N 20 126.422 126.422 127.370 -0.948 25469 9604 1 17 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.063 -0.202 25469 9605 1 17 . 1 1 20 20 ILE C C 20 173.050 173.050 174.342 -1.292 25469 9606 1 17 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.880 -0.533 25469 9607 1 17 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.145 1.055 25469 9608 1 17 . 1 1 20 20 ILE H H 20 7.716 7.716 8.258 -0.542 25469 9609 1 17 . 1 1 21 21 GLY N N 21 113.182 113.182 111.719 1.463 25469 9610 1 17 . 1 1 21 21 GLY C C 21 173.769 173.769 173.943 -0.174 25469 9611 1 17 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.213 0.647 25469 9612 1 17 . 1 1 21 21 GLY H H 21 8.550 8.550 8.014 0.536 25469 9613 1 17 . 1 1 22 22 ASN N N 22 116.072 116.072 115.678 0.394 25469 9614 1 17 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.344 0.003 25469 9615 1 17 . 1 1 22 22 ASN C C 22 174.205 174.205 173.923 0.282 25469 9616 1 17 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.697 -0.264 25469 9617 1 17 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.726 1.100 25469 9618 1 17 . 1 1 22 22 ASN H H 22 7.291 7.291 8.618 -1.327 25469 9619 1 17 . 1 1 23 23 LEU N N 23 118.873 118.873 118.938 -0.065 25469 9620 1 17 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.654 -0.726 25469 9621 1 17 . 1 1 23 23 LEU C C 23 176.551 176.551 176.304 0.247 25469 9622 1 17 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.478 -0.813 25469 9623 1 17 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.182 0.167 25469 9624 1 17 . 1 1 23 23 LEU H H 23 7.279 7.279 7.868 -0.589 25469 9625 1 17 . 1 1 24 24 ASN N N 24 124.260 124.260 123.364 0.896 25469 9626 1 17 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.471 0.288 25469 9627 1 17 . 1 1 24 24 ASN C C 24 175.831 175.831 175.697 0.134 25469 9628 1 17 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.346 -3.706 25469 9629 1 17 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.674 -3.119 25469 9630 1 17 . 1 1 24 24 ASN H H 24 9.075 9.075 8.837 0.238 25469 9631 1 17 . 1 1 25 25 THR N N 25 118.101 118.101 106.708 11.393 25469 9632 1 17 . 1 1 25 25 THR HA H 25 4.377 4.377 4.113 0.264 25469 9633 1 17 . 1 1 25 25 THR C C 25 175.286 175.286 173.954 1.332 25469 9634 1 17 . 1 1 25 25 THR CA C 25 63.324 63.324 63.636 -0.312 25469 9635 1 17 . 1 1 25 25 THR CB C 25 67.439 67.439 67.787 -0.348 25469 9636 1 17 . 1 1 25 25 THR H H 25 8.226 8.226 8.033 0.193 25469 9637 1 17 . 1 1 26 26 LEU N N 26 121.285 121.285 119.146 2.139 25469 9638 1 17 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.414 -0.103 25469 9639 1 17 . 1 1 26 26 LEU C C 26 178.244 178.244 176.715 1.529 25469 9640 1 17 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.425 0.889 25469 9641 1 17 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.425 -1.097 25469 9642 1 17 . 1 1 26 26 LEU H H 26 7.670 7.670 7.744 -0.074 25469 9643 1 17 . 1 1 27 27 VAL N N 27 114.562 114.562 115.960 -1.398 25469 9644 1 17 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.236 -0.189 25469 9645 1 17 . 1 1 27 27 VAL C C 27 175.200 175.200 175.414 -0.214 25469 9646 1 17 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.896 0.135 25469 9647 1 17 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.074 2.108 25469 9648 1 17 . 1 1 27 27 VAL H H 27 6.790 6.790 7.564 -0.774 25469 9649 1 17 . 1 1 28 28 VAL N N 28 121.996 121.996 120.591 1.405 25469 9650 1 17 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.172 -0.313 25469 9651 1 17 . 1 1 28 28 VAL C C 28 174.352 174.352 174.786 -0.434 25469 9652 1 17 . 1 1 28 28 VAL CA C 28 63.192 63.192 62.034 1.158 25469 9653 1 17 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.589 -0.648 25469 9654 1 17 . 1 1 28 28 VAL H H 28 8.276 8.276 7.844 0.432 25469 9655 1 17 . 1 1 29 29 LYS N N 29 124.228 124.228 125.589 -1.361 25469 9656 1 17 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.710 -0.108 25469 9657 1 17 . 1 1 29 29 LYS C C 29 177.959 177.959 177.176 0.783 25469 9658 1 17 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.409 -0.763 25469 9659 1 17 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.894 -1.499 25469 9660 1 17 . 1 1 29 29 LYS H H 29 8.925 8.925 8.070 0.855 25469 9661 1 17 . 1 1 30 30 LYS N N 30 123.350 123.350 121.373 1.977 25469 9662 1 17 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.088 -0.434 25469 9663 1 17 . 1 1 30 30 LYS C C 30 177.639 177.639 176.753 0.886 25469 9664 1 17 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.500 2.900 25469 9665 1 17 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.762 0.887 25469 9666 1 17 . 1 1 30 30 LYS H H 30 8.993 8.993 8.758 0.235 25469 9667 1 17 . 1 1 31 31 SER N N 31 111.465 111.465 113.874 -2.409 25469 9668 1 17 . 1 1 31 31 SER HA H 31 4.167 4.167 4.697 -0.530 25469 9669 1 17 . 1 1 31 31 SER C C 31 177.617 177.617 174.191 3.426 25469 9670 1 17 . 1 1 31 31 SER CA C 31 61.389 61.389 58.738 2.651 25469 9671 1 17 . 1 1 31 31 SER CB C 31 61.533 61.533 63.556 -2.023 25469 9672 1 17 . 1 1 31 31 SER H H 31 8.669 8.669 8.124 0.545 25469 9673 1 17 . 1 1 32 32 ASP N N 32 122.187 122.187 121.787 0.400 25469 9674 1 17 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.815 -0.295 25469 9675 1 17 . 1 1 32 32 ASP C C 32 178.194 178.194 178.322 -0.128 25469 9676 1 17 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.971 1.217 25469 9677 1 17 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.380 -0.533 25469 9678 1 17 . 1 1 32 32 ASP H H 32 7.141 7.141 8.128 -0.987 25469 9679 1 17 . 1 1 33 33 VAL N N 33 120.138 120.138 120.149 -0.011 25469 9680 1 17 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.950 -0.489 25469 9681 1 17 . 1 1 33 33 VAL C C 33 178.624 178.624 176.648 1.976 25469 9682 1 17 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.830 0.544 25469 9683 1 17 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.678 -0.393 25469 9684 1 17 . 1 1 33 33 VAL H H 33 7.956 7.956 8.070 -0.114 25469 9685 1 17 . 1 1 34 34 GLU N N 34 118.717 118.717 116.403 2.314 25469 9686 1 17 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.219 -0.465 25469 9687 1 17 . 1 1 34 34 GLU C C 34 178.701 178.701 175.946 2.755 25469 9688 1 17 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.544 2.961 25469 9689 1 17 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.766 0.578 25469 9690 1 17 . 1 1 34 34 GLU H H 34 8.637 8.637 8.665 -0.028 25469 9691 1 17 . 1 1 35 35 ALA N N 35 121.541 121.541 120.014 1.527 25469 9692 1 17 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.675 -0.526 25469 9693 1 17 . 1 1 35 35 ALA C C 35 180.483 180.483 177.027 3.456 25469 9694 1 17 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.449 3.067 25469 9695 1 17 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.710 -2.662 25469 9696 1 17 . 1 1 35 35 ALA H H 35 7.823 7.823 7.796 0.027 25469 9697 1 17 . 1 1 36 36 ILE N N 36 117.449 117.449 117.851 -0.402 25469 9698 1 17 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.070 -0.407 25469 9699 1 17 . 1 1 36 36 ILE C C 36 178.665 178.665 176.154 2.511 25469 9700 1 17 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.523 2.288 25469 9701 1 17 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.619 0.171 25469 9702 1 17 . 1 1 36 36 ILE H H 36 7.773 7.773 7.502 0.271 25469 9703 1 17 . 1 1 37 37 PHE N N 37 113.524 113.524 117.103 -3.579 25469 9704 1 17 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.963 -0.605 25469 9705 1 17 . 1 1 37 37 PHE C C 37 179.593 179.593 177.514 2.079 25469 9706 1 17 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.251 3.429 25469 9707 1 17 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.341 -3.131 25469 9708 1 17 . 1 1 37 37 PHE H H 37 8.566 8.566 8.357 0.209 25469 9709 1 17 . 1 1 38 38 SER N N 38 122.025 122.025 115.120 6.905 25469 9710 1 17 . 1 1 38 38 SER HA H 38 4.821 4.821 4.715 0.106 25469 9711 1 17 . 1 1 38 38 SER C C 38 175.439 175.439 175.537 -0.098 25469 9712 1 17 . 1 1 38 38 SER CA C 38 61.519 61.519 60.267 1.252 25469 9713 1 17 . 1 1 38 38 SER CB C 38 62.765 62.765 63.518 -0.753 25469 9714 1 17 . 1 1 38 38 SER H H 38 8.834 8.834 8.542 0.292 25469 9715 1 17 . 1 1 39 39 LYS N N 39 119.387 119.387 118.822 0.565 25469 9716 1 17 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.087 -0.126 25469 9717 1 17 . 1 1 39 39 LYS C C 39 177.064 177.064 176.139 0.925 25469 9718 1 17 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.320 0.959 25469 9719 1 17 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.435 0.151 25469 9720 1 17 . 1 1 39 39 LYS H H 39 7.054 7.054 8.007 -0.953 25469 9721 1 17 . 1 1 40 40 TYR N N 40 114.433 114.433 118.098 -3.665 25469 9722 1 17 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.567 -0.290 25469 9723 1 17 . 1 1 40 40 TYR C C 40 174.842 174.842 174.598 0.244 25469 9724 1 17 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.321 0.529 25469 9725 1 17 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.381 -1.954 25469 9726 1 17 . 1 1 40 40 TYR H H 40 6.956 6.956 7.346 -0.390 25469 9727 1 17 . 1 1 41 41 GLY N N 41 106.514 106.514 103.732 2.782 25469 9728 1 17 . 1 1 41 41 GLY C C 41 170.573 170.573 171.781 -1.208 25469 9729 1 17 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.801 -0.245 25469 9730 1 17 . 1 1 41 41 GLY H H 41 7.428 7.428 7.385 0.043 25469 9731 1 17 . 1 1 42 42 LYS N N 42 117.788 117.788 121.703 -3.915 25469 9732 1 17 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.375 -0.178 25469 9733 1 17 . 1 1 42 42 LYS C C 42 176.536 176.536 176.060 0.476 25469 9734 1 17 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.587 0.549 25469 9735 1 17 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.751 0.216 25469 9736 1 17 . 1 1 42 42 LYS H H 42 8.034 8.034 8.459 -0.425 25469 9737 1 17 . 1 1 43 43 ILE N N 43 127.104 127.104 127.250 -0.146 25469 9738 1 17 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.480 -0.456 25469 9739 1 17 . 1 1 43 43 ILE C C 43 176.993 176.993 176.425 0.568 25469 9740 1 17 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.816 -0.436 25469 9741 1 17 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.718 0.195 25469 9742 1 17 . 1 1 43 43 ILE H H 43 8.711 8.711 8.643 0.068 25469 9743 1 17 . 1 1 44 44 VAL N N 44 121.993 121.993 120.791 1.202 25469 9744 1 17 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.498 -0.134 25469 9745 1 17 . 1 1 44 44 VAL C C 44 176.853 176.853 174.471 2.382 25469 9746 1 17 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.815 1.043 25469 9747 1 17 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.085 -0.533 25469 9748 1 17 . 1 1 44 44 VAL H H 44 8.711 8.711 8.851 -0.140 25469 9749 1 17 . 1 1 45 45 GLY N N 45 109.507 109.507 106.406 3.101 25469 9750 1 17 . 1 1 45 45 GLY C C 45 171.266 171.266 171.457 -0.191 25469 9751 1 17 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.602 -0.593 25469 9752 1 17 . 1 1 45 45 GLY H H 45 7.530 7.530 7.321 0.209 25469 9753 1 17 . 1 1 46 46 CYS N N 46 124.546 124.546 120.676 3.870 25469 9754 1 17 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.419 -0.388 25469 9755 1 17 . 1 1 46 46 CYS C C 46 172.073 172.073 172.497 -0.424 25469 9756 1 17 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.785 0.179 25469 9757 1 17 . 1 1 46 46 CYS CB C 46 28.342 28.342 30.906 -2.564 25469 9758 1 17 . 1 1 46 46 CYS H H 46 8.982 8.982 8.482 0.500 25469 9759 1 17 . 1 1 47 47 SER N N 47 122.933 122.933 119.408 3.525 25469 9760 1 17 . 1 1 47 47 SER HA H 47 4.908 4.908 4.760 0.148 25469 9761 1 17 . 1 1 47 47 SER C C 47 171.849 171.849 172.038 -0.189 25469 9762 1 17 . 1 1 47 47 SER CA C 47 56.585 56.585 57.306 -0.721 25469 9763 1 17 . 1 1 47 47 SER CB C 47 65.733 65.733 64.915 0.819 25469 9764 1 17 . 1 1 47 47 SER H H 47 8.569 8.569 8.782 -0.213 25469 9765 1 17 . 1 1 48 48 VAL N N 48 121.588 121.588 125.379 -3.791 25469 9766 1 17 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.263 -0.125 25469 9767 1 17 . 1 1 48 48 VAL C C 48 173.991 173.991 174.585 -0.594 25469 9768 1 17 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.118 1.192 25469 9769 1 17 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.110 -0.186 25469 9770 1 17 . 1 1 48 48 VAL H H 48 8.565 8.565 8.357 0.208 25469 9771 1 17 . 1 1 49 49 HIS N N 49 130.308 130.308 123.908 6.400 25469 9772 1 17 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.781 -0.349 25469 9773 1 17 . 1 1 49 49 HIS C C 49 173.950 173.950 173.621 0.329 25469 9774 1 17 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.348 0.303 25469 9775 1 17 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.676 -1.123 25469 9776 1 17 . 1 1 49 49 HIS H H 49 8.441 8.441 8.788 -0.347 25469 9777 1 17 . 1 1 50 50 LYS N N 50 121.937 121.937 120.513 1.424 25469 9778 1 17 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.929 0.531 25469 9779 1 17 . 1 1 50 50 LYS C C 50 175.528 175.528 177.344 -1.816 25469 9780 1 17 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.526 -0.237 25469 9781 1 17 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.179 -1.701 25469 9782 1 17 . 1 1 50 50 LYS H H 50 7.926 7.926 8.114 -0.188 25469 9783 1 17 . 1 1 51 51 GLY N N 51 114.868 114.868 113.452 1.416 25469 9784 1 17 . 1 1 51 51 GLY C C 51 174.253 174.253 173.029 1.224 25469 9785 1 17 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.007 -0.487 25469 9786 1 17 . 1 1 51 51 GLY H H 51 8.644 8.644 8.528 0.116 25469 9787 1 17 . 1 1 52 52 PHE N N 52 112.790 112.790 115.228 -2.438 25469 9788 1 17 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.627 -0.379 25469 9789 1 17 . 1 1 52 52 PHE C C 52 171.606 171.606 172.899 -1.293 25469 9790 1 17 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.292 0.938 25469 9791 1 17 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.490 -0.445 25469 9792 1 17 . 1 1 52 52 PHE H H 52 7.005 7.005 7.181 -0.176 25469 9793 1 17 . 1 1 53 53 ALA N N 53 119.858 119.858 119.519 0.339 25469 9794 1 17 . 1 1 53 53 ALA HA H 53 4.835 4.835 5.067 -0.232 25469 9795 1 17 . 1 1 53 53 ALA C C 53 173.030 173.030 174.587 -1.557 25469 9796 1 17 . 1 1 53 53 ALA CA C 53 50.346 50.346 50.959 -0.613 25469 9797 1 17 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.549 2.183 25469 9798 1 17 . 1 1 53 53 ALA H H 53 8.724 8.724 8.440 0.284 25469 9799 1 17 . 1 1 54 54 PHE N N 54 112.158 112.158 116.206 -4.048 25469 9800 1 17 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.641 -0.061 25469 9801 1 17 . 1 1 54 54 PHE C C 54 175.765 175.765 174.243 1.522 25469 9802 1 17 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.041 -0.437 25469 9803 1 17 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.468 -0.174 25469 9804 1 17 . 1 1 54 54 PHE H H 54 8.764 8.764 9.107 -0.343 25469 9805 1 17 . 1 1 55 55 VAL N N 55 118.628 118.628 121.162 -2.534 25469 9806 1 17 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.511 -0.299 25469 9807 1 17 . 1 1 55 55 VAL C C 55 172.807 172.807 173.696 -0.889 25469 9808 1 17 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.075 0.802 25469 9809 1 17 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.770 -0.817 25469 9810 1 17 . 1 1 55 55 VAL H H 55 8.310 8.310 8.919 -0.609 25469 9811 1 17 . 1 1 56 56 GLN N N 56 128.402 128.402 124.711 3.691 25469 9812 1 17 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.768 -0.203 25469 9813 1 17 . 1 1 56 56 GLN C C 56 173.894 173.894 174.225 -0.331 25469 9814 1 17 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.896 0.317 25469 9815 1 17 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.793 0.313 25469 9816 1 17 . 1 1 56 56 GLN H H 56 9.253 9.253 8.881 0.372 25469 9817 1 17 . 1 1 57 57 TYR N N 57 127.617 127.617 124.497 3.120 25469 9818 1 17 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.404 -0.123 25469 9819 1 17 . 1 1 57 57 TYR C C 57 175.610 175.610 176.664 -1.054 25469 9820 1 17 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.119 2.572 25469 9821 1 17 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.285 -1.216 25469 9822 1 17 . 1 1 57 57 TYR H H 57 8.919 8.919 9.093 -0.174 25469 9823 1 17 . 1 1 58 58 VAL N N 58 116.705 116.705 118.878 -2.173 25469 9824 1 17 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.882 0.231 25469 9825 1 17 . 1 1 58 58 VAL C C 58 175.860 175.860 175.956 -0.096 25469 9826 1 17 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.664 -0.635 25469 9827 1 17 . 1 1 58 58 VAL CB C 58 33.049 33.049 31.907 1.142 25469 9828 1 17 . 1 1 58 58 VAL H H 58 9.458 9.458 8.774 0.684 25469 9829 1 17 . 1 1 59 59 ASN N N 59 112.563 112.563 113.749 -1.186 25469 9830 1 17 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.856 0.294 25469 9831 1 17 . 1 1 59 59 ASN C C 59 174.483 174.483 174.421 0.062 25469 9832 1 17 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.404 -0.452 25469 9833 1 17 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.150 2.027 25469 9834 1 17 . 1 1 59 59 ASN H H 59 7.230 7.230 7.422 -0.192 25469 9835 1 17 . 1 1 60 60 GLU N N 60 124.320 124.320 119.596 4.724 25469 9836 1 17 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.196 0.119 25469 9837 1 17 . 1 1 60 60 GLU C C 60 178.202 178.202 177.925 0.277 25469 9838 1 17 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.533 -0.752 25469 9839 1 17 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.753 0.625 25469 9840 1 17 . 1 1 60 60 GLU H H 60 8.807 8.807 8.910 -0.103 25469 9841 1 17 . 1 1 61 61 ARG N N 61 118.347 118.347 118.982 -0.635 25469 9842 1 17 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.035 -0.045 25469 9843 1 17 . 1 1 61 61 ARG C C 61 179.341 179.341 178.522 0.819 25469 9844 1 17 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.570 0.897 25469 9845 1 17 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.760 -0.359 25469 9846 1 17 . 1 1 61 61 ARG H H 61 8.620 8.620 8.345 0.275 25469 9847 1 17 . 1 1 62 62 ASN N N 62 118.085 118.085 117.240 0.845 25469 9848 1 17 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.312 -0.035 25469 9849 1 17 . 1 1 62 62 ASN C C 62 174.852 174.852 176.525 -1.673 25469 9850 1 17 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.236 0.229 25469 9851 1 17 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.138 0.869 25469 9852 1 17 . 1 1 62 62 ASN H H 62 7.781 7.781 7.936 -0.155 25469 9853 1 17 . 1 1 63 63 ALA N N 63 119.580 119.580 122.952 -3.372 25469 9854 1 17 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.436 -0.688 25469 9855 1 17 . 1 1 63 63 ALA C C 63 178.862 178.862 179.362 -0.500 25469 9856 1 17 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.766 0.195 25469 9857 1 17 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.727 -0.186 25469 9858 1 17 . 1 1 63 63 ALA H H 63 6.775 6.775 7.305 -0.530 25469 9859 1 17 . 1 1 64 64 ARG N N 64 114.991 114.991 118.327 -3.336 25469 9860 1 17 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.163 -0.323 25469 9861 1 17 . 1 1 64 64 ARG C C 64 179.776 179.776 178.630 1.146 25469 9862 1 17 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.894 2.288 25469 9863 1 17 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.655 -0.408 25469 9864 1 17 . 1 1 64 64 ARG H H 64 8.737 8.737 8.265 0.472 25469 9865 1 17 . 1 1 65 65 ALA N N 65 123.698 123.698 121.433 2.265 25469 9866 1 17 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.293 -0.166 25469 9867 1 17 . 1 1 65 65 ALA C C 65 179.561 179.561 178.569 0.992 25469 9868 1 17 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.535 0.413 25469 9869 1 17 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.347 -0.456 25469 9870 1 17 . 1 1 65 65 ALA H H 65 7.820 7.820 7.560 0.260 25469 9871 1 17 . 1 1 66 66 ALA N N 66 123.811 123.811 120.169 3.642 25469 9872 1 17 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.762 -1.695 25469 9873 1 17 . 1 1 66 66 ALA C C 66 179.260 179.260 179.425 -0.165 25469 9874 1 17 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.494 -0.185 25469 9875 1 17 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.103 0.205 25469 9876 1 17 . 1 1 66 66 ALA H H 66 7.538 7.538 7.426 0.112 25469 9877 1 17 . 1 1 67 67 VAL N N 67 116.571 116.571 118.322 -1.751 25469 9878 1 17 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.698 -0.343 25469 9879 1 17 . 1 1 67 67 VAL C C 67 177.744 177.744 177.535 0.209 25469 9880 1 17 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.754 -0.224 25469 9881 1 17 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.663 0.304 25469 9882 1 17 . 1 1 67 67 VAL H H 67 7.612 7.612 8.278 -0.666 25469 9883 1 17 . 1 1 68 68 ALA N N 68 118.239 118.239 120.364 -2.125 25469 9884 1 17 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.348 -0.227 25469 9885 1 17 . 1 1 68 68 ALA C C 68 180.749 180.749 178.166 2.583 25469 9886 1 17 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.511 0.841 25469 9887 1 17 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.648 -0.551 25469 9888 1 17 . 1 1 68 68 ALA H H 68 7.549 7.549 7.530 0.019 25469 9889 1 17 . 1 1 69 69 GLY N N 69 103.748 103.748 105.181 -1.433 25469 9890 1 17 . 1 1 69 69 GLY C C 69 175.627 175.627 174.896 0.731 25469 9891 1 17 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.050 1.036 25469 9892 1 17 . 1 1 69 69 GLY H H 69 8.135 8.135 7.323 0.812 25469 9893 1 17 . 1 1 70 70 GLU N N 70 114.571 114.571 116.603 -2.032 25469 9894 1 17 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.357 0.275 25469 9895 1 17 . 1 1 70 70 GLU C C 70 176.392 176.392 174.939 1.453 25469 9896 1 17 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.987 -0.789 25469 9897 1 17 . 1 1 70 70 GLU CB C 70 31.372 31.372 32.053 -0.681 25469 9898 1 17 . 1 1 70 70 GLU H H 70 7.653 7.653 7.599 0.054 25469 9899 1 17 . 1 1 71 71 ASP N N 71 118.127 118.127 121.157 -3.030 25469 9900 1 17 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.358 -0.073 25469 9901 1 17 . 1 1 71 71 ASP C C 71 178.699 178.699 177.028 1.671 25469 9902 1 17 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.013 1.530 25469 9903 1 17 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.178 1.192 25469 9904 1 17 . 1 1 71 71 ASP H H 71 8.026 8.026 7.584 0.442 25469 9905 1 17 . 1 1 72 72 GLY N N 72 114.353 114.353 113.677 0.676 25469 9906 1 17 . 1 1 72 72 GLY C C 72 173.792 173.792 174.354 -0.562 25469 9907 1 17 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.126 0.633 25469 9908 1 17 . 1 1 72 72 GLY H H 72 8.292 8.292 8.126 0.166 25469 9909 1 17 . 1 1 73 73 ARG N N 73 121.996 121.996 118.790 3.206 25469 9910 1 17 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.436 -0.250 25469 9911 1 17 . 1 1 73 73 ARG C C 73 175.188 175.188 174.734 0.454 25469 9912 1 17 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.887 1.589 25469 9913 1 17 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.235 0.084 25469 9914 1 17 . 1 1 73 73 ARG H H 73 7.981 7.981 7.914 0.067 25469 9915 1 17 . 1 1 74 74 MET N N 74 125.120 125.120 120.636 4.484 25469 9916 1 17 . 1 1 74 74 MET HA H 74 4.795 4.795 4.668 0.127 25469 9917 1 17 . 1 1 74 74 MET C C 74 175.727 175.727 174.839 0.888 25469 9918 1 17 . 1 1 74 74 MET CA C 74 55.054 55.054 54.728 0.326 25469 9919 1 17 . 1 1 74 74 MET CB C 74 33.076 33.076 34.309 -1.233 25469 9920 1 17 . 1 1 74 74 MET H H 74 8.710 8.710 8.341 0.369 25469 9921 1 17 . 1 1 75 75 ILE N N 75 127.530 127.530 125.763 1.767 25469 9922 1 17 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 9923 1 17 . 1 1 75 75 ILE C C 75 175.277 175.277 175.645 -0.368 25469 9924 1 17 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.591 -0.860 25469 9925 1 17 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.356 -0.949 25469 9926 1 17 . 1 1 75 75 ILE H H 75 8.583 8.583 8.785 -0.202 25469 9927 1 17 . 1 1 76 76 ALA N N 76 132.166 132.166 130.126 2.040 25469 9928 1 17 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.990 0.042 25469 9929 1 17 . 1 1 76 76 ALA C C 76 177.206 177.206 177.715 -0.509 25469 9930 1 17 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.254 -0.382 25469 9931 1 17 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.360 -0.112 25469 9932 1 17 . 1 1 76 76 ALA H H 76 9.540 9.540 9.040 0.500 25469 9933 1 17 . 1 1 77 77 GLY N N 77 101.685 101.685 102.815 -1.130 25469 9934 1 17 . 1 1 77 77 GLY C C 77 174.206 174.206 173.886 0.320 25469 9935 1 17 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.871 0.896 25469 9936 1 17 . 1 1 77 77 GLY H H 77 8.446 8.446 8.342 0.104 25469 9937 1 17 . 1 1 78 78 GLN N N 78 118.947 118.947 120.163 -1.216 25469 9938 1 17 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.657 0.074 25469 9939 1 17 . 1 1 78 78 GLN C C 78 174.047 174.047 174.822 -0.775 25469 9940 1 17 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.433 -0.172 25469 9941 1 17 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.665 0.439 25469 9942 1 17 . 1 1 78 78 GLN H H 78 7.708 7.708 8.118 -0.410 25469 9943 1 17 . 1 1 79 79 VAL N N 79 123.383 123.383 126.914 -3.531 25469 9944 1 17 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.459 -0.445 25469 9945 1 17 . 1 1 79 79 VAL C C 79 176.348 176.348 176.336 0.012 25469 9946 1 17 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.586 -0.918 25469 9947 1 17 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.279 -0.150 25469 9948 1 17 . 1 1 79 79 VAL H H 79 8.570 8.570 8.535 0.035 25469 9949 1 17 . 1 1 80 80 LEU N N 80 128.544 128.544 127.070 1.474 25469 9950 1 17 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.693 -0.385 25469 9951 1 17 . 1 1 80 80 LEU C C 80 176.522 176.522 176.416 0.106 25469 9952 1 17 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.413 2.488 25469 9953 1 17 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.843 -0.944 25469 9954 1 17 . 1 1 80 80 LEU H H 80 9.002 9.002 8.524 0.478 25469 9955 1 17 . 1 1 81 81 ASP N N 81 124.135 124.135 121.922 2.213 25469 9956 1 17 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.275 -0.054 25469 9957 1 17 . 1 1 81 81 ASP C C 81 174.660 174.660 174.988 -0.328 25469 9958 1 17 . 1 1 81 81 ASP CA C 81 52.987 52.987 54.028 -1.041 25469 9959 1 17 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.260 0.507 25469 9960 1 17 . 1 1 81 81 ASP H H 81 7.718 7.718 8.419 -0.701 25469 9961 1 17 . 1 1 82 82 ILE N N 82 123.344 123.344 123.101 0.243 25469 9962 1 17 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.763 0.633 25469 9963 1 17 . 1 1 82 82 ILE C C 82 174.521 174.521 174.909 -0.388 25469 9964 1 17 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.848 -0.714 25469 9965 1 17 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.567 0.400 25469 9966 1 17 . 1 1 82 82 ILE H H 82 9.071 9.071 8.798 0.273 25469 9967 1 17 . 1 1 83 83 ASN N N 83 116.447 116.447 123.418 -6.971 25469 9968 1 17 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.003 -0.161 25469 9969 1 17 . 1 1 83 83 ASN C C 83 174.566 174.566 173.420 1.146 25469 9970 1 17 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.987 1.141 25469 9971 1 17 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.277 0.797 25469 9972 1 17 . 1 1 83 83 ASN H H 83 8.494 8.494 8.746 -0.252 25469 9973 1 17 . 1 1 84 84 LEU N N 84 123.786 123.786 124.254 -0.468 25469 9974 1 17 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.352 0.368 25469 9975 1 17 . 1 1 84 84 LEU C C 84 180.969 180.969 177.998 2.971 25469 9976 1 17 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.830 0.527 25469 9977 1 17 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.233 -0.914 25469 9978 1 17 . 1 1 84 84 LEU H H 84 9.414 9.414 8.815 0.599 25469 9979 1 17 . 1 1 85 85 ALA N N 85 127.577 127.577 129.188 -1.611 25469 9980 1 17 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.257 -0.209 25469 9981 1 17 . 1 1 85 85 ALA C C 85 177.932 177.932 176.625 1.307 25469 9982 1 17 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.422 1.927 25469 9983 1 17 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.014 -1.027 25469 9984 1 17 . 1 1 85 85 ALA H H 85 9.279 9.279 8.223 1.056 25469 9985 1 17 . 1 1 86 86 ALA N N 86 116.071 116.071 117.022 -0.951 25469 9986 1 17 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.398 0.013 25469 9987 1 17 . 1 1 86 86 ALA C C 86 176.153 176.153 176.530 -0.377 25469 9988 1 17 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.034 -0.305 25469 9989 1 17 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.355 -0.045 25469 9990 1 17 . 1 1 86 86 ALA H H 86 8.687 8.687 8.007 0.680 25469 9991 1 17 . 1 1 87 87 GLU N N 87 118.959 118.959 119.553 -0.594 25469 9992 1 17 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.687 0.049 25469 9993 1 17 . 1 1 87 87 GLU C C 87 171.677 171.677 173.734 -2.057 25469 9994 1 17 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.086 0.086 25469 9995 1 17 . 1 1 87 87 GLU CB C 87 29.973 29.973 29.935 0.038 25469 9996 1 17 . 1 1 87 87 GLU H H 87 7.901 7.901 8.141 -0.240 25469 9997 1 17 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.487 -0.144 25469 9998 1 17 . 1 1 88 88 PRO C C 88 177.303 177.303 175.729 1.574 25469 9999 1 17 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.733 -0.814 25469 10000 1 17 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.657 -0.759 25469 10001 1 17 . 1 1 89 89 LYS N N 89 121.298 121.298 123.867 -2.569 25469 10002 1 17 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.363 -0.136 25469 10003 1 17 . 1 1 89 89 LYS C C 89 177.690 177.690 176.066 1.624 25469 10004 1 17 . 1 1 89 89 LYS CA C 89 56.802 56.802 56.657 0.145 25469 10005 1 17 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.688 0.816 25469 10006 1 17 . 1 1 89 89 LYS H H 89 7.973 7.973 8.554 -0.581 25469 10007 1 17 . 1 1 90 90 VAL N N 90 120.788 120.788 117.058 3.730 25469 10008 1 17 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.168 -0.239 25469 10009 1 17 . 1 1 90 90 VAL C C 90 176.170 176.170 175.447 0.723 25469 10010 1 17 . 1 1 90 90 VAL CA C 90 63.217 63.217 63.009 0.208 25469 10011 1 17 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.237 -0.891 25469 10012 1 17 . 1 1 90 90 VAL H H 90 8.216 8.216 8.134 0.082 25469 10013 1 17 . 1 1 91 91 ASN N N 91 119.438 119.438 118.898 0.540 25469 10014 1 17 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.680 -0.021 25469 10015 1 17 . 1 1 91 91 ASN C C 91 175.173 175.173 174.370 0.803 25469 10016 1 17 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.638 -0.601 25469 10017 1 17 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.625 -0.458 25469 10018 1 17 . 1 1 91 91 ASN H H 91 8.451 8.451 8.474 -0.023 25469 10019 1 17 . 1 1 92 92 ARG N N 92 120.958 120.958 120.467 0.491 25469 10020 1 17 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.531 -0.294 25469 10021 1 17 . 1 1 92 92 ARG C C 92 177.002 177.002 175.352 1.650 25469 10022 1 17 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.644 1.000 25469 10023 1 17 . 1 1 92 92 ARG CB C 92 30.526 30.526 31.325 -0.799 25469 10024 1 17 . 1 1 92 92 ARG H H 92 7.978 7.978 7.740 0.238 25469 10025 1 17 . 1 1 93 93 GLY N N 93 110.275 110.275 111.076 -0.801 25469 10026 1 17 . 1 1 93 93 GLY C C 93 174.246 174.246 173.309 0.937 25469 10027 1 17 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.107 0.277 25469 10028 1 17 . 1 1 93 93 GLY H H 93 8.604 8.604 8.498 0.106 25469 10029 1 17 . 1 1 94 94 LYS N N 94 120.750 120.750 118.993 1.757 25469 10030 1 17 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.736 -0.439 25469 10031 1 17 . 1 1 94 94 LYS C C 94 176.525 176.525 175.651 0.874 25469 10032 1 17 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.235 -0.191 25469 10033 1 17 . 1 1 94 94 LYS CB C 94 33.025 33.025 34.083 -1.058 25469 10034 1 17 . 1 1 94 94 LYS H H 94 8.113 8.113 8.630 -0.517 25469 10035 1 17 . 1 1 95 95 ALA N N 95 124.912 124.912 121.143 3.769 25469 10036 1 17 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.655 -0.356 25469 10037 1 17 . 1 1 95 95 ALA C C 95 178.325 178.325 176.779 1.546 25469 10038 1 17 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.930 0.822 25469 10039 1 17 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.527 -1.387 25469 10040 1 17 . 1 1 95 95 ALA H H 95 8.367 8.367 7.539 0.828 25469 10041 1 17 . 1 1 96 96 GLY N N 96 108.328 108.328 106.509 1.819 25469 10042 1 17 . 1 1 96 96 GLY C C 96 174.096 174.096 175.000 -0.904 25469 10043 1 17 . 1 1 96 96 GLY CA C 96 45.241 45.241 46.007 -0.766 25469 10044 1 17 . 1 1 96 96 GLY H H 96 8.390 8.390 8.299 0.091 25469 10045 1 17 . 1 1 97 97 VAL N N 97 119.774 119.774 119.249 0.525 25469 10046 1 17 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.201 -0.124 25469 10047 1 17 . 1 1 97 97 VAL C C 97 176.156 176.156 175.110 1.046 25469 10048 1 17 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.434 0.865 25469 10049 1 17 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.720 0.134 25469 10050 1 17 . 1 1 97 97 VAL H H 97 7.925 7.925 7.459 0.466 25469 10051 1 17 . 1 1 98 98 LYS N N 98 126.024 126.024 126.643 -0.619 25469 10052 1 17 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.491 -0.165 25469 10053 1 17 . 1 1 98 98 LYS C C 98 176.427 176.427 176.303 0.124 25469 10054 1 17 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.068 0.033 25469 10055 1 17 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.005 1.056 25469 10056 1 17 . 1 1 98 98 LYS H H 98 8.473 8.473 8.567 -0.094 25469 10057 1 17 . 1 1 99 99 ARG N N 99 123.644 123.644 119.291 4.353 25469 10058 1 17 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.492 -0.113 25469 10059 1 17 . 1 1 99 99 ARG C C 99 176.231 176.231 176.508 -0.277 25469 10060 1 17 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.124 0.808 25469 10061 1 17 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.581 -1.314 25469 10062 1 17 . 1 1 99 99 ARG H H 99 8.464 8.464 7.592 0.872 25469 10063 1 17 . 1 1 100 100 SER N N 100 117.863 117.863 116.671 1.192 25469 10064 1 17 . 1 1 100 100 SER HA H 100 4.449 4.449 4.321 0.128 25469 10065 1 17 . 1 1 100 100 SER C C 100 174.556 174.556 175.411 -0.855 25469 10066 1 17 . 1 1 100 100 SER CA C 100 57.985 57.985 59.562 -1.577 25469 10067 1 17 . 1 1 100 100 SER CB C 100 64.167 64.167 63.363 0.804 25469 10068 1 17 . 1 1 100 100 SER H H 100 8.516 8.516 9.125 -0.609 25469 10069 1 17 . 1 1 101 101 ALA N N 101 126.048 126.048 120.154 5.894 25469 10070 1 17 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.014 0.243 25469 10071 1 17 . 1 1 101 101 ALA C C 101 178.047 178.047 176.538 1.509 25469 10072 1 17 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.583 -0.235 25469 10073 1 17 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.720 1.225 25469 10074 1 17 . 1 1 101 101 ALA H H 101 8.538 8.538 8.417 0.121 25469 10075 1 17 . 1 1 102 102 ALA N N 102 121.566 121.566 119.430 2.136 25469 10076 1 17 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.612 -0.387 25469 10077 1 17 . 1 1 102 102 ALA C C 102 178.254 178.254 178.194 0.060 25469 10078 1 17 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.153 0.892 25469 10079 1 17 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.500 -0.457 25469 10080 1 17 . 1 1 102 102 ALA H H 102 8.212 8.212 8.112 0.100 25469 10081 1 17 . 1 1 103 103 GLU N N 103 118.735 118.735 118.580 0.155 25469 10082 1 17 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.205 -0.004 25469 10083 1 17 . 1 1 103 103 GLU C C 103 176.516 176.516 177.147 -0.631 25469 10084 1 17 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.005 -1.349 25469 10085 1 17 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.155 1.072 25469 10086 1 17 . 1 1 103 103 GLU H H 103 8.071 8.071 8.876 -0.805 25469 10087 1 17 . 1 1 104 104 MET N N 104 120.106 120.106 117.097 3.009 25469 10088 1 17 . 1 1 104 104 MET HA H 104 4.326 4.326 4.342 -0.016 25469 10089 1 17 . 1 1 104 104 MET C C 104 175.862 175.862 175.583 0.279 25469 10090 1 17 . 1 1 104 104 MET CA C 104 55.939 55.939 55.567 0.372 25469 10091 1 17 . 1 1 104 104 MET CB C 104 32.999 32.999 32.885 0.114 25469 10092 1 17 . 1 1 104 104 MET H H 104 8.073 8.073 7.986 0.087 25469 10093 1 17 . 1 1 105 105 TYR N N 105 120.285 120.285 116.561 3.724 25469 10094 1 17 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.656 -0.003 25469 10095 1 17 . 1 1 105 105 TYR C C 105 175.319 175.319 176.713 -1.394 25469 10096 1 17 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.559 0.036 25469 10097 1 17 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.178 -0.239 25469 10098 1 17 . 1 1 105 105 TYR H H 105 8.126 8.126 7.604 0.522 25469 10099 1 18 . 1 1 3 3 SER HA H 3 4.553 4.553 4.496 0.057 25469 10100 1 18 . 1 1 3 3 SER C C 3 173.408 173.408 174.957 -1.549 25469 10101 1 18 . 1 1 3 3 SER CA C 3 58.273 58.273 57.886 0.387 25469 10102 1 18 . 1 1 3 3 SER CB C 3 63.940 63.940 64.101 -0.161 25469 10103 1 18 . 1 1 4 4 ASN N N 4 120.235 120.235 119.376 0.859 25469 10104 1 18 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.840 0.377 25469 10105 1 18 . 1 1 4 4 ASN C C 4 176.243 176.243 174.343 1.900 25469 10106 1 18 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.199 -0.155 25469 10107 1 18 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.881 -0.149 25469 10108 1 18 . 1 1 4 4 ASN H H 4 8.774 8.774 8.634 0.140 25469 10109 1 18 . 1 1 5 5 VAL N N 5 122.554 122.554 119.266 3.288 25469 10110 1 18 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.199 -0.430 25469 10111 1 18 . 1 1 5 5 VAL C C 5 177.223 177.223 175.653 1.570 25469 10112 1 18 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.581 3.230 25469 10113 1 18 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.211 -1.337 25469 10114 1 18 . 1 1 5 5 VAL H H 5 8.315 8.315 7.650 0.665 25469 10115 1 18 . 1 1 6 6 THR N N 6 118.503 118.503 115.179 3.324 25469 10116 1 18 . 1 1 6 6 THR HA H 6 4.678 4.678 4.402 0.276 25469 10117 1 18 . 1 1 6 6 THR C C 6 174.350 174.350 173.252 1.098 25469 10118 1 18 . 1 1 6 6 THR CA C 6 60.560 60.560 61.456 -0.896 25469 10119 1 18 . 1 1 6 6 THR CB C 6 69.833 69.833 69.862 -0.029 25469 10120 1 18 . 1 1 6 6 THR H H 6 9.394 9.394 8.387 1.007 25469 10121 1 18 . 1 1 7 7 ASN N N 7 120.872 120.872 119.347 1.525 25469 10122 1 18 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.612 -0.056 25469 10123 1 18 . 1 1 7 7 ASN C C 7 176.866 176.866 173.973 2.893 25469 10124 1 18 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.718 -0.821 25469 10125 1 18 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.550 -0.467 25469 10126 1 18 . 1 1 7 7 ASN H H 7 7.976 7.976 8.111 -0.135 25469 10127 1 18 . 1 1 8 8 LYS N N 8 121.728 121.728 124.053 -2.325 25469 10128 1 18 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.645 -0.389 25469 10129 1 18 . 1 1 8 8 LYS C C 8 180.142 180.142 175.786 4.356 25469 10130 1 18 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.454 2.746 25469 10131 1 18 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.803 -3.511 25469 10132 1 18 . 1 1 8 8 LYS H H 8 8.572 8.572 8.088 0.484 25469 10133 1 18 . 1 1 9 9 THR N N 9 110.858 110.858 112.751 -1.893 25469 10134 1 18 . 1 1 9 9 THR HA H 9 4.463 4.463 4.437 0.026 25469 10135 1 18 . 1 1 9 9 THR C C 9 174.485 174.485 173.666 0.819 25469 10136 1 18 . 1 1 9 9 THR CA C 9 61.246 61.246 61.400 -0.154 25469 10137 1 18 . 1 1 9 9 THR CB C 9 69.039 69.039 69.045 -0.006 25469 10138 1 18 . 1 1 9 9 THR H H 9 8.691 8.691 8.564 0.127 25469 10139 1 18 . 1 1 10 10 ASP N N 10 121.014 121.014 124.152 -3.138 25469 10140 1 18 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.712 0.113 25469 10141 1 18 . 1 1 10 10 ASP C C 10 173.946 173.946 176.750 -2.804 25469 10142 1 18 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.717 -1.153 25469 10143 1 18 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.379 -1.778 25469 10144 1 18 . 1 1 10 10 ASP H H 10 7.907 7.907 7.899 0.008 25469 10145 1 18 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.372 -0.217 25469 10146 1 18 . 1 1 11 11 PRO C C 11 178.421 178.421 176.499 1.922 25469 10147 1 18 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.622 1.619 25469 10148 1 18 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.122 0.076 25469 10149 1 18 . 1 1 12 12 ARG N N 12 116.361 116.361 116.734 -0.373 25469 10150 1 18 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.516 -0.424 25469 10151 1 18 . 1 1 12 12 ARG C C 12 180.446 180.446 176.999 3.447 25469 10152 1 18 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.773 1.762 25469 10153 1 18 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.050 -1.800 25469 10154 1 18 . 1 1 12 12 ARG H H 12 7.940 7.940 8.082 -0.142 25469 10155 1 18 . 1 1 13 13 SER N N 13 119.379 119.379 117.431 1.948 25469 10156 1 18 . 1 1 13 13 SER HA H 13 4.052 4.052 4.328 -0.276 25469 10157 1 18 . 1 1 13 13 SER C C 13 178.762 178.762 175.686 3.076 25469 10158 1 18 . 1 1 13 13 SER CA C 13 61.529 61.529 62.105 -0.576 25469 10159 1 18 . 1 1 13 13 SER CB C 13 61.778 61.778 62.918 -1.140 25469 10160 1 18 . 1 1 13 13 SER H H 13 8.143 8.143 8.434 -0.291 25469 10161 1 18 . 1 1 14 14 MET N N 14 120.327 120.327 119.291 1.036 25469 10162 1 18 . 1 1 14 14 MET HA H 14 4.097 4.097 4.338 -0.241 25469 10163 1 18 . 1 1 14 14 MET C C 14 178.576 178.576 176.720 1.856 25469 10164 1 18 . 1 1 14 14 MET CA C 14 58.293 58.293 58.324 -0.031 25469 10165 1 18 . 1 1 14 14 MET CB C 14 31.813 31.813 33.040 -1.227 25469 10166 1 18 . 1 1 14 14 MET H H 14 8.238 8.238 7.712 0.526 25469 10167 1 18 . 1 1 15 15 ASN N N 15 115.378 115.378 116.092 -0.714 25469 10168 1 18 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.831 -0.206 25469 10169 1 18 . 1 1 15 15 ASN C C 15 172.556 172.556 176.116 -3.560 25469 10170 1 18 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.940 -0.911 25469 10171 1 18 . 1 1 15 15 ASN CB C 15 38.650 38.650 39.350 -0.700 25469 10172 1 18 . 1 1 15 15 ASN H H 15 7.968 7.968 7.571 0.397 25469 10173 1 18 . 1 1 16 16 SER N N 16 106.215 106.215 114.820 -8.605 25469 10174 1 18 . 1 1 16 16 SER HA H 16 4.495 4.495 4.630 -0.135 25469 10175 1 18 . 1 1 16 16 SER C C 16 172.121 172.121 173.052 -0.931 25469 10176 1 18 . 1 1 16 16 SER CA C 16 56.785 56.785 58.904 -2.119 25469 10177 1 18 . 1 1 16 16 SER CB C 16 63.428 63.428 63.382 0.046 25469 10178 1 18 . 1 1 16 16 SER H H 16 7.253 7.253 7.866 -0.613 25469 10179 1 18 . 1 1 17 17 ARG N N 17 123.348 123.348 122.093 1.255 25469 10180 1 18 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.136 0.456 25469 10181 1 18 . 1 1 17 17 ARG C C 17 174.491 174.491 175.094 -0.603 25469 10182 1 18 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.434 -1.055 25469 10183 1 18 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.300 -0.390 25469 10184 1 18 . 1 1 17 17 ARG H H 17 7.405 7.405 7.253 0.152 25469 10185 1 18 . 1 1 18 18 VAL N N 18 122.328 122.328 122.881 -0.553 25469 10186 1 18 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.479 0.230 25469 10187 1 18 . 1 1 18 18 VAL C C 18 174.863 174.863 174.167 0.696 25469 10188 1 18 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.667 -1.010 25469 10189 1 18 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.135 -0.833 25469 10190 1 18 . 1 1 18 18 VAL H H 18 9.260 9.260 9.069 0.191 25469 10191 1 18 . 1 1 19 19 PHE N N 19 126.010 126.010 128.319 -2.309 25469 10192 1 18 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.605 -0.139 25469 10193 1 18 . 1 1 19 19 PHE C C 19 171.967 171.967 173.793 -1.826 25469 10194 1 18 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.716 1.393 25469 10195 1 18 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.898 -0.875 25469 10196 1 18 . 1 1 19 19 PHE H H 19 9.159 9.159 9.328 -0.169 25469 10197 1 18 . 1 1 20 20 ILE N N 20 126.422 126.422 126.532 -0.110 25469 10198 1 18 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.075 -0.214 25469 10199 1 18 . 1 1 20 20 ILE C C 20 173.050 173.050 174.261 -1.211 25469 10200 1 18 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.864 -0.516 25469 10201 1 18 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.099 1.101 25469 10202 1 18 . 1 1 20 20 ILE H H 20 7.716 7.716 8.100 -0.384 25469 10203 1 18 . 1 1 21 21 GLY N N 21 113.182 113.182 111.575 1.607 25469 10204 1 18 . 1 1 21 21 GLY C C 21 173.769 173.769 173.845 -0.076 25469 10205 1 18 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.127 0.733 25469 10206 1 18 . 1 1 21 21 GLY H H 21 8.550 8.550 7.726 0.824 25469 10207 1 18 . 1 1 22 22 ASN N N 22 116.072 116.072 115.312 0.760 25469 10208 1 18 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.378 -0.031 25469 10209 1 18 . 1 1 22 22 ASN C C 22 174.205 174.205 173.886 0.319 25469 10210 1 18 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.764 -0.331 25469 10211 1 18 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.743 1.083 25469 10212 1 18 . 1 1 22 22 ASN H H 22 7.291 7.291 8.721 -1.430 25469 10213 1 18 . 1 1 23 23 LEU N N 23 118.873 118.873 118.730 0.143 25469 10214 1 18 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.679 -0.751 25469 10215 1 18 . 1 1 23 23 LEU C C 23 176.551 176.551 176.145 0.406 25469 10216 1 18 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.377 -0.712 25469 10217 1 18 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.391 -0.042 25469 10218 1 18 . 1 1 23 23 LEU H H 23 7.279 7.279 7.939 -0.660 25469 10219 1 18 . 1 1 24 24 ASN N N 24 124.260 124.260 123.289 0.971 25469 10220 1 18 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.482 0.277 25469 10221 1 18 . 1 1 24 24 ASN C C 24 175.831 175.831 175.717 0.114 25469 10222 1 18 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.482 -3.842 25469 10223 1 18 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.491 -2.936 25469 10224 1 18 . 1 1 24 24 ASN H H 24 9.075 9.075 8.784 0.291 25469 10225 1 18 . 1 1 25 25 THR N N 25 118.101 118.101 107.089 11.012 25469 10226 1 18 . 1 1 25 25 THR HA H 25 4.377 4.377 4.099 0.278 25469 10227 1 18 . 1 1 25 25 THR C C 25 175.286 175.286 174.765 0.521 25469 10228 1 18 . 1 1 25 25 THR CA C 25 63.324 63.324 63.818 -0.494 25469 10229 1 18 . 1 1 25 25 THR CB C 25 67.439 67.439 67.281 0.158 25469 10230 1 18 . 1 1 25 25 THR H H 25 8.226 8.226 8.093 0.133 25469 10231 1 18 . 1 1 26 26 LEU N N 26 121.285 121.285 117.743 3.542 25469 10232 1 18 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.283 0.028 25469 10233 1 18 . 1 1 26 26 LEU C C 26 178.244 178.244 177.303 0.941 25469 10234 1 18 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.672 0.642 25469 10235 1 18 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.087 -0.759 25469 10236 1 18 . 1 1 26 26 LEU H H 26 7.670 7.670 7.688 -0.018 25469 10237 1 18 . 1 1 27 27 VAL N N 27 114.562 114.562 115.344 -0.782 25469 10238 1 18 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.175 -0.128 25469 10239 1 18 . 1 1 27 27 VAL C C 27 175.200 175.200 175.710 -0.510 25469 10240 1 18 . 1 1 27 27 VAL CA C 27 63.031 63.031 63.224 -0.193 25469 10241 1 18 . 1 1 27 27 VAL CB C 27 35.182 35.182 32.727 2.455 25469 10242 1 18 . 1 1 27 27 VAL H H 27 6.790 6.790 7.528 -0.738 25469 10243 1 18 . 1 1 28 28 VAL N N 28 121.996 121.996 119.990 2.006 25469 10244 1 18 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.163 -0.304 25469 10245 1 18 . 1 1 28 28 VAL C C 28 174.352 174.352 174.847 -0.495 25469 10246 1 18 . 1 1 28 28 VAL CA C 28 63.192 63.192 62.017 1.175 25469 10247 1 18 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.835 -0.894 25469 10248 1 18 . 1 1 28 28 VAL H H 28 8.276 8.276 7.701 0.575 25469 10249 1 18 . 1 1 29 29 LYS N N 29 124.228 124.228 124.008 0.220 25469 10250 1 18 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.645 -0.043 25469 10251 1 18 . 1 1 29 29 LYS C C 29 177.959 177.959 177.209 0.750 25469 10252 1 18 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.595 -0.949 25469 10253 1 18 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.660 -1.265 25469 10254 1 18 . 1 1 29 29 LYS H H 29 8.925 8.925 7.938 0.987 25469 10255 1 18 . 1 1 30 30 LYS N N 30 123.350 123.350 121.420 1.930 25469 10256 1 18 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.073 -0.419 25469 10257 1 18 . 1 1 30 30 LYS C C 30 177.639 177.639 176.525 1.114 25469 10258 1 18 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.496 2.904 25469 10259 1 18 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.797 0.851 25469 10260 1 18 . 1 1 30 30 LYS H H 30 8.993 8.993 8.710 0.283 25469 10261 1 18 . 1 1 31 31 SER N N 31 111.465 111.465 113.974 -2.509 25469 10262 1 18 . 1 1 31 31 SER HA H 31 4.167 4.167 4.737 -0.570 25469 10263 1 18 . 1 1 31 31 SER C C 31 177.617 177.617 174.069 3.548 25469 10264 1 18 . 1 1 31 31 SER CA C 31 61.389 61.389 59.552 1.837 25469 10265 1 18 . 1 1 31 31 SER CB C 31 61.533 61.533 63.333 -1.800 25469 10266 1 18 . 1 1 31 31 SER H H 31 8.669 8.669 8.143 0.526 25469 10267 1 18 . 1 1 32 32 ASP N N 32 122.187 122.187 121.491 0.696 25469 10268 1 18 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.812 -0.292 25469 10269 1 18 . 1 1 32 32 ASP C C 32 178.194 178.194 178.477 -0.283 25469 10270 1 18 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.757 1.431 25469 10271 1 18 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.763 -0.916 25469 10272 1 18 . 1 1 32 32 ASP H H 32 7.141 7.141 8.049 -0.908 25469 10273 1 18 . 1 1 33 33 VAL N N 33 120.138 120.138 120.280 -0.142 25469 10274 1 18 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.935 -0.474 25469 10275 1 18 . 1 1 33 33 VAL C C 33 178.624 178.624 176.596 2.028 25469 10276 1 18 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.846 0.528 25469 10277 1 18 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.692 -0.407 25469 10278 1 18 . 1 1 33 33 VAL H H 33 7.956 7.956 8.182 -0.226 25469 10279 1 18 . 1 1 34 34 GLU N N 34 118.717 118.717 116.381 2.336 25469 10280 1 18 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.210 -0.456 25469 10281 1 18 . 1 1 34 34 GLU C C 34 178.701 178.701 175.933 2.768 25469 10282 1 18 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.537 2.968 25469 10283 1 18 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.758 0.586 25469 10284 1 18 . 1 1 34 34 GLU H H 34 8.637 8.637 8.644 -0.007 25469 10285 1 18 . 1 1 35 35 ALA N N 35 121.541 121.541 120.101 1.440 25469 10286 1 18 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.575 -0.426 25469 10287 1 18 . 1 1 35 35 ALA C C 35 180.483 180.483 177.345 3.138 25469 10288 1 18 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.738 2.778 25469 10289 1 18 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.301 -2.253 25469 10290 1 18 . 1 1 35 35 ALA H H 35 7.823 7.823 7.940 -0.117 25469 10291 1 18 . 1 1 36 36 ILE N N 36 117.449 117.449 117.108 0.341 25469 10292 1 18 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.056 -0.393 25469 10293 1 18 . 1 1 36 36 ILE C C 36 178.665 178.665 175.917 2.748 25469 10294 1 18 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.839 1.972 25469 10295 1 18 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.627 0.163 25469 10296 1 18 . 1 1 36 36 ILE H H 36 7.773 7.773 7.527 0.246 25469 10297 1 18 . 1 1 37 37 PHE N N 37 113.524 113.524 117.156 -3.632 25469 10298 1 18 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.957 -0.599 25469 10299 1 18 . 1 1 37 37 PHE C C 37 179.593 179.593 177.499 2.094 25469 10300 1 18 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.280 3.400 25469 10301 1 18 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.336 -3.126 25469 10302 1 18 . 1 1 37 37 PHE H H 37 8.566 8.566 8.390 0.176 25469 10303 1 18 . 1 1 38 38 SER N N 38 122.025 122.025 115.034 6.991 25469 10304 1 18 . 1 1 38 38 SER HA H 38 4.821 4.821 4.731 0.090 25469 10305 1 18 . 1 1 38 38 SER C C 38 175.439 175.439 175.519 -0.080 25469 10306 1 18 . 1 1 38 38 SER CA C 38 61.519 61.519 60.230 1.289 25469 10307 1 18 . 1 1 38 38 SER CB C 38 62.765 62.765 63.528 -0.763 25469 10308 1 18 . 1 1 38 38 SER H H 38 8.834 8.834 8.539 0.295 25469 10309 1 18 . 1 1 39 39 LYS N N 39 119.387 119.387 118.801 0.586 25469 10310 1 18 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.102 -0.141 25469 10311 1 18 . 1 1 39 39 LYS C C 39 177.064 177.064 176.126 0.938 25469 10312 1 18 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.279 1.000 25469 10313 1 18 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.433 0.153 25469 10314 1 18 . 1 1 39 39 LYS H H 39 7.054 7.054 8.019 -0.965 25469 10315 1 18 . 1 1 40 40 TYR N N 40 114.433 114.433 118.197 -3.764 25469 10316 1 18 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.562 -0.285 25469 10317 1 18 . 1 1 40 40 TYR C C 40 174.842 174.842 174.613 0.229 25469 10318 1 18 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.426 0.424 25469 10319 1 18 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.391 -1.964 25469 10320 1 18 . 1 1 40 40 TYR H H 40 6.956 6.956 7.377 -0.421 25469 10321 1 18 . 1 1 41 41 GLY N N 41 106.514 106.514 103.729 2.785 25469 10322 1 18 . 1 1 41 41 GLY C C 41 170.573 170.573 171.819 -1.246 25469 10323 1 18 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.832 -0.276 25469 10324 1 18 . 1 1 41 41 GLY H H 41 7.428 7.428 7.300 0.128 25469 10325 1 18 . 1 1 42 42 LYS N N 42 117.788 117.788 121.729 -3.941 25469 10326 1 18 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.367 -0.170 25469 10327 1 18 . 1 1 42 42 LYS C C 42 176.536 176.536 176.063 0.473 25469 10328 1 18 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.635 0.501 25469 10329 1 18 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.728 0.239 25469 10330 1 18 . 1 1 42 42 LYS H H 42 8.034 8.034 8.475 -0.441 25469 10331 1 18 . 1 1 43 43 ILE N N 43 127.104 127.104 127.300 -0.196 25469 10332 1 18 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.438 -0.414 25469 10333 1 18 . 1 1 43 43 ILE C C 43 176.993 176.993 176.493 0.500 25469 10334 1 18 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.779 -0.399 25469 10335 1 18 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.704 0.209 25469 10336 1 18 . 1 1 43 43 ILE H H 43 8.711 8.711 8.624 0.087 25469 10337 1 18 . 1 1 44 44 VAL N N 44 121.993 121.993 120.635 1.358 25469 10338 1 18 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.481 -0.117 25469 10339 1 18 . 1 1 44 44 VAL C C 44 176.853 176.853 175.086 1.767 25469 10340 1 18 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.076 0.782 25469 10341 1 18 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.090 -0.538 25469 10342 1 18 . 1 1 44 44 VAL H H 44 8.711 8.711 8.722 -0.011 25469 10343 1 18 . 1 1 45 45 GLY N N 45 109.507 109.507 107.415 2.092 25469 10344 1 18 . 1 1 45 45 GLY C C 45 171.266 171.266 171.732 -0.466 25469 10345 1 18 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.666 -0.657 25469 10346 1 18 . 1 1 45 45 GLY H H 45 7.530 7.530 7.395 0.135 25469 10347 1 18 . 1 1 46 46 CYS N N 46 124.546 124.546 120.651 3.895 25469 10348 1 18 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.374 -0.343 25469 10349 1 18 . 1 1 46 46 CYS C C 46 172.073 172.073 172.365 -0.292 25469 10350 1 18 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.822 0.141 25469 10351 1 18 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.305 -2.963 25469 10352 1 18 . 1 1 46 46 CYS H H 46 8.982 8.982 9.162 -0.180 25469 10353 1 18 . 1 1 47 47 SER N N 47 122.933 122.933 119.730 3.203 25469 10354 1 18 . 1 1 47 47 SER HA H 47 4.908 4.908 4.752 0.156 25469 10355 1 18 . 1 1 47 47 SER C C 47 171.849 171.849 172.051 -0.202 25469 10356 1 18 . 1 1 47 47 SER CA C 47 56.585 56.585 57.279 -0.694 25469 10357 1 18 . 1 1 47 47 SER CB C 47 65.733 65.733 65.069 0.664 25469 10358 1 18 . 1 1 47 47 SER H H 47 8.569 8.569 8.782 -0.213 25469 10359 1 18 . 1 1 48 48 VAL N N 48 121.588 121.588 125.146 -3.558 25469 10360 1 18 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.278 -0.140 25469 10361 1 18 . 1 1 48 48 VAL C C 48 173.991 173.991 174.455 -0.464 25469 10362 1 18 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.026 1.284 25469 10363 1 18 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.349 -0.425 25469 10364 1 18 . 1 1 48 48 VAL H H 48 8.565 8.565 8.387 0.178 25469 10365 1 18 . 1 1 49 49 HIS N N 49 130.308 130.308 123.946 6.362 25469 10366 1 18 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.717 -0.285 25469 10367 1 18 . 1 1 49 49 HIS C C 49 173.950 173.950 173.826 0.124 25469 10368 1 18 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.152 0.499 25469 10369 1 18 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.381 -0.828 25469 10370 1 18 . 1 1 49 49 HIS H H 49 8.441 8.441 8.870 -0.429 25469 10371 1 18 . 1 1 50 50 LYS N N 50 121.937 121.937 119.936 2.001 25469 10372 1 18 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.032 0.428 25469 10373 1 18 . 1 1 50 50 LYS C C 50 175.528 175.528 177.359 -1.831 25469 10374 1 18 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.035 0.254 25469 10375 1 18 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.419 -0.941 25469 10376 1 18 . 1 1 50 50 LYS H H 50 7.926 7.926 8.232 -0.306 25469 10377 1 18 . 1 1 51 51 GLY N N 51 114.868 114.868 112.048 2.820 25469 10378 1 18 . 1 1 51 51 GLY C C 51 174.253 174.253 172.965 1.288 25469 10379 1 18 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.270 -0.750 25469 10380 1 18 . 1 1 51 51 GLY H H 51 8.644 8.644 8.739 -0.095 25469 10381 1 18 . 1 1 52 52 PHE N N 52 112.790 112.790 115.336 -2.546 25469 10382 1 18 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.574 -0.326 25469 10383 1 18 . 1 1 52 52 PHE C C 52 171.606 171.606 172.882 -1.276 25469 10384 1 18 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.104 1.126 25469 10385 1 18 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.622 -0.577 25469 10386 1 18 . 1 1 52 52 PHE H H 52 7.005 7.005 7.201 -0.196 25469 10387 1 18 . 1 1 53 53 ALA N N 53 119.858 119.858 119.709 0.149 25469 10388 1 18 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.996 -0.161 25469 10389 1 18 . 1 1 53 53 ALA C C 53 173.030 173.030 174.552 -1.522 25469 10390 1 18 . 1 1 53 53 ALA CA C 53 50.346 50.346 50.903 -0.557 25469 10391 1 18 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.495 2.237 25469 10392 1 18 . 1 1 53 53 ALA H H 53 8.724 8.724 8.255 0.469 25469 10393 1 18 . 1 1 54 54 PHE N N 54 112.158 112.158 116.415 -4.257 25469 10394 1 18 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.634 -0.054 25469 10395 1 18 . 1 1 54 54 PHE C C 54 175.765 175.765 174.264 1.501 25469 10396 1 18 . 1 1 54 54 PHE CA C 54 56.604 56.604 56.835 -0.231 25469 10397 1 18 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.482 -0.188 25469 10398 1 18 . 1 1 54 54 PHE H H 54 8.764 8.764 9.145 -0.381 25469 10399 1 18 . 1 1 55 55 VAL N N 55 118.628 118.628 120.480 -1.852 25469 10400 1 18 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.552 -0.340 25469 10401 1 18 . 1 1 55 55 VAL C C 55 172.807 172.807 173.610 -0.803 25469 10402 1 18 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.701 1.176 25469 10403 1 18 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.736 -0.783 25469 10404 1 18 . 1 1 55 55 VAL H H 55 8.310 8.310 9.056 -0.746 25469 10405 1 18 . 1 1 56 56 GLN N N 56 128.402 128.402 124.894 3.508 25469 10406 1 18 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.873 -0.308 25469 10407 1 18 . 1 1 56 56 GLN C C 56 173.894 173.894 174.124 -0.230 25469 10408 1 18 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.678 0.535 25469 10409 1 18 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.053 0.053 25469 10410 1 18 . 1 1 56 56 GLN H H 56 9.253 9.253 8.898 0.355 25469 10411 1 18 . 1 1 57 57 TYR N N 57 127.617 127.617 124.006 3.611 25469 10412 1 18 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.344 -0.063 25469 10413 1 18 . 1 1 57 57 TYR C C 57 175.610 175.610 176.863 -1.253 25469 10414 1 18 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.587 2.104 25469 10415 1 18 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.976 -0.907 25469 10416 1 18 . 1 1 57 57 TYR H H 57 8.919 8.919 8.967 -0.048 25469 10417 1 18 . 1 1 58 58 VAL N N 58 116.705 116.705 119.861 -3.156 25469 10418 1 18 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.866 0.247 25469 10419 1 18 . 1 1 58 58 VAL C C 58 175.860 175.860 175.550 0.310 25469 10420 1 18 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.289 -0.260 25469 10421 1 18 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.402 0.647 25469 10422 1 18 . 1 1 58 58 VAL H H 58 9.458 9.458 8.832 0.626 25469 10423 1 18 . 1 1 59 59 ASN N N 59 112.563 112.563 111.610 0.953 25469 10424 1 18 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.923 0.227 25469 10425 1 18 . 1 1 59 59 ASN C C 59 174.483 174.483 175.520 -1.037 25469 10426 1 18 . 1 1 59 59 ASN CA C 59 51.952 51.952 51.874 0.078 25469 10427 1 18 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.573 1.604 25469 10428 1 18 . 1 1 59 59 ASN H H 59 7.230 7.230 7.494 -0.264 25469 10429 1 18 . 1 1 60 60 GLU N N 60 124.320 124.320 120.768 3.552 25469 10430 1 18 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.119 0.196 25469 10431 1 18 . 1 1 60 60 GLU C C 60 178.202 178.202 177.770 0.432 25469 10432 1 18 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.511 -0.730 25469 10433 1 18 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.855 0.523 25469 10434 1 18 . 1 1 60 60 GLU H H 60 8.807 8.807 8.895 -0.088 25469 10435 1 18 . 1 1 61 61 ARG N N 61 118.347 118.347 118.893 -0.546 25469 10436 1 18 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.034 -0.044 25469 10437 1 18 . 1 1 61 61 ARG C C 61 179.341 179.341 178.561 0.780 25469 10438 1 18 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.529 0.938 25469 10439 1 18 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.763 -0.362 25469 10440 1 18 . 1 1 61 61 ARG H H 61 8.620 8.620 8.282 0.338 25469 10441 1 18 . 1 1 62 62 ASN N N 62 118.085 118.085 117.220 0.865 25469 10442 1 18 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.317 -0.040 25469 10443 1 18 . 1 1 62 62 ASN C C 62 174.852 174.852 176.443 -1.591 25469 10444 1 18 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.190 0.275 25469 10445 1 18 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.173 0.834 25469 10446 1 18 . 1 1 62 62 ASN H H 62 7.781 7.781 7.985 -0.204 25469 10447 1 18 . 1 1 63 63 ALA N N 63 119.580 119.580 122.996 -3.416 25469 10448 1 18 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.412 -0.664 25469 10449 1 18 . 1 1 63 63 ALA C C 63 178.862 178.862 179.335 -0.473 25469 10450 1 18 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.747 0.214 25469 10451 1 18 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.741 -0.200 25469 10452 1 18 . 1 1 63 63 ALA H H 63 6.775 6.775 7.284 -0.509 25469 10453 1 18 . 1 1 64 64 ARG N N 64 114.991 114.991 118.335 -3.344 25469 10454 1 18 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.161 -0.321 25469 10455 1 18 . 1 1 64 64 ARG C C 64 179.776 179.776 178.622 1.154 25469 10456 1 18 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.938 2.244 25469 10457 1 18 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.691 -0.444 25469 10458 1 18 . 1 1 64 64 ARG H H 64 8.737 8.737 8.450 0.287 25469 10459 1 18 . 1 1 65 65 ALA N N 65 123.698 123.698 121.404 2.294 25469 10460 1 18 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.287 -0.160 25469 10461 1 18 . 1 1 65 65 ALA C C 65 179.561 179.561 178.567 0.994 25469 10462 1 18 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.548 0.400 25469 10463 1 18 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.332 -0.441 25469 10464 1 18 . 1 1 65 65 ALA H H 65 7.820 7.820 7.560 0.260 25469 10465 1 18 . 1 1 66 66 ALA N N 66 123.811 123.811 120.241 3.570 25469 10466 1 18 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.767 -1.700 25469 10467 1 18 . 1 1 66 66 ALA C C 66 179.260 179.260 179.428 -0.168 25469 10468 1 18 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.505 -0.196 25469 10469 1 18 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.066 0.242 25469 10470 1 18 . 1 1 66 66 ALA H H 66 7.538 7.538 7.397 0.141 25469 10471 1 18 . 1 1 67 67 VAL N N 67 116.571 116.571 118.267 -1.696 25469 10472 1 18 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.703 -0.348 25469 10473 1 18 . 1 1 67 67 VAL C C 67 177.744 177.744 177.511 0.233 25469 10474 1 18 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.792 -0.262 25469 10475 1 18 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.665 0.302 25469 10476 1 18 . 1 1 67 67 VAL H H 67 7.612 7.612 8.314 -0.702 25469 10477 1 18 . 1 1 68 68 ALA N N 68 118.239 118.239 120.188 -1.949 25469 10478 1 18 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.333 -0.212 25469 10479 1 18 . 1 1 68 68 ALA C C 68 180.749 180.749 178.130 2.619 25469 10480 1 18 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.435 0.917 25469 10481 1 18 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.730 -0.633 25469 10482 1 18 . 1 1 68 68 ALA H H 68 7.549 7.549 7.540 0.009 25469 10483 1 18 . 1 1 69 69 GLY N N 69 103.748 103.748 105.269 -1.521 25469 10484 1 18 . 1 1 69 69 GLY C C 69 175.627 175.627 174.883 0.744 25469 10485 1 18 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.022 1.064 25469 10486 1 18 . 1 1 69 69 GLY H H 69 8.135 8.135 7.309 0.826 25469 10487 1 18 . 1 1 70 70 GLU N N 70 114.571 114.571 116.421 -1.850 25469 10488 1 18 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.343 0.289 25469 10489 1 18 . 1 1 70 70 GLU C C 70 176.392 176.392 175.009 1.383 25469 10490 1 18 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.926 -0.728 25469 10491 1 18 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.988 -0.616 25469 10492 1 18 . 1 1 70 70 GLU H H 70 7.653 7.653 7.604 0.049 25469 10493 1 18 . 1 1 71 71 ASP N N 71 118.127 118.127 121.058 -2.931 25469 10494 1 18 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.370 -0.085 25469 10495 1 18 . 1 1 71 71 ASP C C 71 178.699 178.699 177.041 1.658 25469 10496 1 18 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.034 1.508 25469 10497 1 18 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.226 1.144 25469 10498 1 18 . 1 1 71 71 ASP H H 71 8.026 8.026 7.594 0.432 25469 10499 1 18 . 1 1 72 72 GLY N N 72 114.353 114.353 113.774 0.579 25469 10500 1 18 . 1 1 72 72 GLY C C 72 173.792 173.792 174.356 -0.564 25469 10501 1 18 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.140 0.619 25469 10502 1 18 . 1 1 72 72 GLY H H 72 8.292 8.292 8.171 0.121 25469 10503 1 18 . 1 1 73 73 ARG N N 73 121.996 121.996 118.767 3.229 25469 10504 1 18 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.440 -0.254 25469 10505 1 18 . 1 1 73 73 ARG C C 73 175.188 175.188 174.732 0.456 25469 10506 1 18 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.882 1.594 25469 10507 1 18 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.240 0.079 25469 10508 1 18 . 1 1 73 73 ARG H H 73 7.981 7.981 7.909 0.072 25469 10509 1 18 . 1 1 74 74 MET N N 74 125.120 125.120 120.655 4.465 25469 10510 1 18 . 1 1 74 74 MET HA H 74 4.795 4.795 4.671 0.124 25469 10511 1 18 . 1 1 74 74 MET C C 74 175.727 175.727 174.830 0.897 25469 10512 1 18 . 1 1 74 74 MET CA C 74 55.054 55.054 54.703 0.351 25469 10513 1 18 . 1 1 74 74 MET CB C 74 33.076 33.076 34.331 -1.255 25469 10514 1 18 . 1 1 74 74 MET H H 74 8.710 8.710 8.343 0.367 25469 10515 1 18 . 1 1 75 75 ILE N N 75 127.530 127.530 125.730 1.800 25469 10516 1 18 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 10517 1 18 . 1 1 75 75 ILE C C 75 175.277 175.277 175.622 -0.345 25469 10518 1 18 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.612 -0.881 25469 10519 1 18 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.401 -0.994 25469 10520 1 18 . 1 1 75 75 ILE H H 75 8.583 8.583 8.746 -0.164 25469 10521 1 18 . 1 1 76 76 ALA N N 76 132.166 132.166 130.087 2.079 25469 10522 1 18 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.989 0.043 25469 10523 1 18 . 1 1 76 76 ALA C C 76 177.206 177.206 177.713 -0.507 25469 10524 1 18 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.260 -0.388 25469 10525 1 18 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.361 -0.113 25469 10526 1 18 . 1 1 76 76 ALA H H 76 9.540 9.540 9.039 0.501 25469 10527 1 18 . 1 1 77 77 GLY N N 77 101.685 101.685 102.783 -1.098 25469 10528 1 18 . 1 1 77 77 GLY C C 77 174.206 174.206 173.898 0.308 25469 10529 1 18 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.875 0.892 25469 10530 1 18 . 1 1 77 77 GLY H H 77 8.446 8.446 8.339 0.107 25469 10531 1 18 . 1 1 78 78 GLN N N 78 118.947 118.947 120.269 -1.322 25469 10532 1 18 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.657 0.074 25469 10533 1 18 . 1 1 78 78 GLN C C 78 174.047 174.047 174.848 -0.801 25469 10534 1 18 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.422 -0.161 25469 10535 1 18 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.575 0.529 25469 10536 1 18 . 1 1 78 78 GLN H H 78 7.708 7.708 8.120 -0.412 25469 10537 1 18 . 1 1 79 79 VAL N N 79 123.383 123.383 127.083 -3.700 25469 10538 1 18 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.430 -0.416 25469 10539 1 18 . 1 1 79 79 VAL C C 79 176.348 176.348 176.340 0.008 25469 10540 1 18 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.656 -0.987 25469 10541 1 18 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.263 -0.134 25469 10542 1 18 . 1 1 79 79 VAL H H 79 8.570 8.570 8.549 0.021 25469 10543 1 18 . 1 1 80 80 LEU N N 80 128.544 128.544 126.811 1.733 25469 10544 1 18 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.725 -0.417 25469 10545 1 18 . 1 1 80 80 LEU C C 80 176.522 176.522 176.408 0.114 25469 10546 1 18 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.396 2.505 25469 10547 1 18 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.839 -0.940 25469 10548 1 18 . 1 1 80 80 LEU H H 80 9.002 9.002 8.551 0.451 25469 10549 1 18 . 1 1 81 81 ASP N N 81 124.135 124.135 122.323 1.812 25469 10550 1 18 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.326 -0.105 25469 10551 1 18 . 1 1 81 81 ASP C C 81 174.660 174.660 174.791 -0.131 25469 10552 1 18 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.739 -0.752 25469 10553 1 18 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.431 0.336 25469 10554 1 18 . 1 1 81 81 ASP H H 81 7.718 7.718 8.297 -0.579 25469 10555 1 18 . 1 1 82 82 ILE N N 82 123.344 123.344 123.388 -0.044 25469 10556 1 18 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.707 0.690 25469 10557 1 18 . 1 1 82 82 ILE C C 82 174.521 174.521 174.873 -0.352 25469 10558 1 18 . 1 1 82 82 ILE CA C 82 59.134 59.134 60.087 -0.953 25469 10559 1 18 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.763 0.204 25469 10560 1 18 . 1 1 82 82 ILE H H 82 9.071 9.071 9.091 -0.020 25469 10561 1 18 . 1 1 83 83 ASN N N 83 116.447 116.447 122.779 -6.332 25469 10562 1 18 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.009 -0.167 25469 10563 1 18 . 1 1 83 83 ASN C C 83 174.566 174.566 173.764 0.802 25469 10564 1 18 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.144 0.984 25469 10565 1 18 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.548 0.526 25469 10566 1 18 . 1 1 83 83 ASN H H 83 8.494 8.494 8.853 -0.359 25469 10567 1 18 . 1 1 84 84 LEU N N 84 123.786 123.786 122.749 1.037 25469 10568 1 18 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.359 0.361 25469 10569 1 18 . 1 1 84 84 LEU C C 84 180.969 180.969 178.295 2.674 25469 10570 1 18 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.483 -0.126 25469 10571 1 18 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.449 -2.130 25469 10572 1 18 . 1 1 84 84 LEU H H 84 9.414 9.414 8.839 0.575 25469 10573 1 18 . 1 1 85 85 ALA N N 85 127.577 127.577 128.575 -0.998 25469 10574 1 18 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.316 -0.268 25469 10575 1 18 . 1 1 85 85 ALA C C 85 177.932 177.932 176.724 1.208 25469 10576 1 18 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.374 1.975 25469 10577 1 18 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.018 -1.031 25469 10578 1 18 . 1 1 85 85 ALA H H 85 9.279 9.279 8.257 1.022 25469 10579 1 18 . 1 1 86 86 ALA N N 86 116.071 116.071 117.181 -1.110 25469 10580 1 18 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.407 0.004 25469 10581 1 18 . 1 1 86 86 ALA C C 86 176.153 176.153 176.505 -0.352 25469 10582 1 18 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.058 -0.329 25469 10583 1 18 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.094 0.216 25469 10584 1 18 . 1 1 86 86 ALA H H 86 8.687 8.687 8.035 0.652 25469 10585 1 18 . 1 1 87 87 GLU N N 87 118.959 118.959 119.340 -0.381 25469 10586 1 18 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.672 0.064 25469 10587 1 18 . 1 1 87 87 GLU C C 87 171.677 171.677 173.718 -2.041 25469 10588 1 18 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.213 -0.041 25469 10589 1 18 . 1 1 87 87 GLU CB C 87 29.973 29.973 29.724 0.249 25469 10590 1 18 . 1 1 87 87 GLU H H 87 7.901 7.901 7.952 -0.051 25469 10591 1 18 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.415 -0.072 25469 10592 1 18 . 1 1 88 88 PRO C C 88 177.303 177.303 175.817 1.486 25469 10593 1 18 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.668 -0.750 25469 10594 1 18 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.767 -0.869 25469 10595 1 18 . 1 1 89 89 LYS N N 89 121.298 121.298 122.295 -0.997 25469 10596 1 18 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.406 -0.179 25469 10597 1 18 . 1 1 89 89 LYS C C 89 177.690 177.690 176.152 1.538 25469 10598 1 18 . 1 1 89 89 LYS CA C 89 56.802 56.802 56.003 0.799 25469 10599 1 18 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.837 0.667 25469 10600 1 18 . 1 1 89 89 LYS H H 89 7.973 7.973 8.408 -0.435 25469 10601 1 18 . 1 1 90 90 VAL N N 90 120.788 120.788 118.669 2.119 25469 10602 1 18 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.238 -0.309 25469 10603 1 18 . 1 1 90 90 VAL C C 90 176.170 176.170 176.359 -0.189 25469 10604 1 18 . 1 1 90 90 VAL CA C 90 63.217 63.217 63.056 0.161 25469 10605 1 18 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.296 -0.950 25469 10606 1 18 . 1 1 90 90 VAL H H 90 8.216 8.216 8.161 0.055 25469 10607 1 18 . 1 1 91 91 ASN N N 91 119.438 119.438 117.655 1.783 25469 10608 1 18 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.646 0.013 25469 10609 1 18 . 1 1 91 91 ASN C C 91 175.173 175.173 174.841 0.332 25469 10610 1 18 . 1 1 91 91 ASN CA C 91 53.037 53.037 54.173 -1.137 25469 10611 1 18 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.646 -0.479 25469 10612 1 18 . 1 1 91 91 ASN H H 91 8.451 8.451 8.659 -0.208 25469 10613 1 18 . 1 1 92 92 ARG N N 92 120.958 120.958 116.850 4.108 25469 10614 1 18 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.602 -0.365 25469 10615 1 18 . 1 1 92 92 ARG C C 92 177.002 177.002 177.609 -0.607 25469 10616 1 18 . 1 1 92 92 ARG CA C 92 56.644 56.644 55.727 0.916 25469 10617 1 18 . 1 1 92 92 ARG CB C 92 30.526 30.526 29.510 1.016 25469 10618 1 18 . 1 1 92 92 ARG H H 92 7.978 7.978 7.699 0.279 25469 10619 1 18 . 1 1 93 93 GLY N N 93 110.275 110.275 109.897 0.378 25469 10620 1 18 . 1 1 93 93 GLY C C 93 174.246 174.246 174.263 -0.017 25469 10621 1 18 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.224 0.160 25469 10622 1 18 . 1 1 93 93 GLY H H 93 8.604 8.604 8.115 0.489 25469 10623 1 18 . 1 1 94 94 LYS N N 94 120.750 120.750 116.266 4.484 25469 10624 1 18 . 1 1 94 94 LYS HA H 94 4.297 4.297 3.844 0.453 25469 10625 1 18 . 1 1 94 94 LYS C C 94 176.525 176.525 175.534 0.991 25469 10626 1 18 . 1 1 94 94 LYS CA C 94 56.044 56.044 57.578 -1.534 25469 10627 1 18 . 1 1 94 94 LYS CB C 94 33.025 33.025 31.333 1.692 25469 10628 1 18 . 1 1 94 94 LYS H H 94 8.113 8.113 8.244 -0.131 25469 10629 1 18 . 1 1 95 95 ALA N N 95 124.912 124.912 119.351 5.561 25469 10630 1 18 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.601 -0.302 25469 10631 1 18 . 1 1 95 95 ALA C C 95 178.325 178.325 175.869 2.456 25469 10632 1 18 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.779 0.973 25469 10633 1 18 . 1 1 95 95 ALA CB C 95 19.140 19.140 21.347 -2.207 25469 10634 1 18 . 1 1 95 95 ALA H H 95 8.367 8.367 7.809 0.558 25469 10635 1 18 . 1 1 96 96 GLY N N 96 108.328 108.328 107.660 0.668 25469 10636 1 18 . 1 1 96 96 GLY C C 96 174.096 174.096 174.046 0.050 25469 10637 1 18 . 1 1 96 96 GLY CA C 96 45.241 45.241 44.691 0.550 25469 10638 1 18 . 1 1 96 96 GLY H H 96 8.390 8.390 8.459 -0.069 25469 10639 1 18 . 1 1 97 97 VAL N N 97 119.774 119.774 121.177 -1.403 25469 10640 1 18 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.176 -0.099 25469 10641 1 18 . 1 1 97 97 VAL C C 97 176.156 176.156 176.546 -0.390 25469 10642 1 18 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.759 0.540 25469 10643 1 18 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.739 0.115 25469 10644 1 18 . 1 1 97 97 VAL H H 97 7.925 7.925 7.601 0.324 25469 10645 1 18 . 1 1 98 98 LYS N N 98 126.024 126.024 123.863 2.161 25469 10646 1 18 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.330 -0.004 25469 10647 1 18 . 1 1 98 98 LYS C C 98 176.427 176.427 176.182 0.245 25469 10648 1 18 . 1 1 98 98 LYS CA C 98 56.101 56.101 56.207 -0.106 25469 10649 1 18 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.366 0.695 25469 10650 1 18 . 1 1 98 98 LYS H H 98 8.473 8.473 8.420 0.053 25469 10651 1 18 . 1 1 99 99 ARG N N 99 123.644 123.644 118.616 5.028 25469 10652 1 18 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.465 -0.086 25469 10653 1 18 . 1 1 99 99 ARG C C 99 176.231 176.231 175.761 0.470 25469 10654 1 18 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.129 0.803 25469 10655 1 18 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.352 -1.085 25469 10656 1 18 . 1 1 99 99 ARG H H 99 8.464 8.464 7.442 1.022 25469 10657 1 18 . 1 1 100 100 SER N N 100 117.863 117.863 117.346 0.517 25469 10658 1 18 . 1 1 100 100 SER HA H 100 4.449 4.449 4.354 0.095 25469 10659 1 18 . 1 1 100 100 SER C C 100 174.556 174.556 175.449 -0.893 25469 10660 1 18 . 1 1 100 100 SER CA C 100 57.985 57.985 59.536 -1.552 25469 10661 1 18 . 1 1 100 100 SER CB C 100 64.167 64.167 63.454 0.713 25469 10662 1 18 . 1 1 100 100 SER H H 100 8.516 8.516 8.647 -0.131 25469 10663 1 18 . 1 1 101 101 ALA N N 101 126.048 126.048 121.093 4.955 25469 10664 1 18 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.053 0.204 25469 10665 1 18 . 1 1 101 101 ALA C C 101 178.047 178.047 176.541 1.506 25469 10666 1 18 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.586 -0.238 25469 10667 1 18 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.066 0.879 25469 10668 1 18 . 1 1 101 101 ALA H H 101 8.538 8.538 8.080 0.458 25469 10669 1 18 . 1 1 102 102 ALA N N 102 121.566 121.566 119.209 2.357 25469 10670 1 18 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.611 -0.386 25469 10671 1 18 . 1 1 102 102 ALA C C 102 178.254 178.254 178.095 0.159 25469 10672 1 18 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.253 0.792 25469 10673 1 18 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.749 -0.706 25469 10674 1 18 . 1 1 102 102 ALA H H 102 8.212 8.212 7.815 0.397 25469 10675 1 18 . 1 1 103 103 GLU N N 103 118.735 118.735 117.851 0.884 25469 10676 1 18 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.130 0.071 25469 10677 1 18 . 1 1 103 103 GLU C C 103 176.516 176.516 176.437 0.079 25469 10678 1 18 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.726 -2.070 25469 10679 1 18 . 1 1 103 103 GLU CB C 103 30.227 30.227 28.835 1.391 25469 10680 1 18 . 1 1 103 103 GLU H H 103 8.071 8.071 8.984 -0.913 25469 10681 1 18 . 1 1 104 104 MET N N 104 120.106 120.106 114.065 6.041 25469 10682 1 18 . 1 1 104 104 MET HA H 104 4.326 4.326 4.584 -0.258 25469 10683 1 18 . 1 1 104 104 MET C C 104 175.862 175.862 175.290 0.572 25469 10684 1 18 . 1 1 104 104 MET CA C 104 55.939 55.939 55.147 0.792 25469 10685 1 18 . 1 1 104 104 MET CB C 104 32.999 32.999 32.600 0.399 25469 10686 1 18 . 1 1 104 104 MET H H 104 8.073 8.073 7.323 0.750 25469 10687 1 18 . 1 1 105 105 TYR N N 105 120.285 120.285 118.756 1.529 25469 10688 1 18 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.785 -0.132 25469 10689 1 18 . 1 1 105 105 TYR C C 105 175.319 175.319 176.805 -1.486 25469 10690 1 18 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.629 -0.034 25469 10691 1 18 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.140 -0.201 25469 10692 1 18 . 1 1 105 105 TYR H H 105 8.126 8.126 7.576 0.550 25469 10693 1 19 . 1 1 3 3 SER HA H 3 4.553 4.553 4.468 0.085 25469 10694 1 19 . 1 1 3 3 SER C C 3 173.408 173.408 175.536 -2.128 25469 10695 1 19 . 1 1 3 3 SER CA C 3 58.273 58.273 57.010 1.263 25469 10696 1 19 . 1 1 3 3 SER CB C 3 63.940 63.940 64.089 -0.149 25469 10697 1 19 . 1 1 4 4 ASN N N 4 120.235 120.235 120.262 -0.027 25469 10698 1 19 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.931 0.286 25469 10699 1 19 . 1 1 4 4 ASN C C 4 176.243 176.243 174.908 1.335 25469 10700 1 19 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.354 -0.310 25469 10701 1 19 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.605 0.127 25469 10702 1 19 . 1 1 4 4 ASN H H 4 8.774 8.774 8.625 0.149 25469 10703 1 19 . 1 1 5 5 VAL N N 5 122.554 122.554 121.164 1.390 25469 10704 1 19 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.212 -0.443 25469 10705 1 19 . 1 1 5 5 VAL C C 5 177.223 177.223 175.180 2.043 25469 10706 1 19 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.380 3.430 25469 10707 1 19 . 1 1 5 5 VAL CB C 5 30.874 30.874 33.086 -2.212 25469 10708 1 19 . 1 1 5 5 VAL H H 5 8.315 8.315 7.335 0.980 25469 10709 1 19 . 1 1 6 6 THR N N 6 118.503 118.503 114.736 3.767 25469 10710 1 19 . 1 1 6 6 THR HA H 6 4.678 4.678 4.427 0.251 25469 10711 1 19 . 1 1 6 6 THR C C 6 174.350 174.350 173.680 0.670 25469 10712 1 19 . 1 1 6 6 THR CA C 6 60.560 60.560 61.270 -0.710 25469 10713 1 19 . 1 1 6 6 THR CB C 6 69.833 69.833 69.927 -0.094 25469 10714 1 19 . 1 1 6 6 THR H H 6 9.394 9.394 8.301 1.093 25469 10715 1 19 . 1 1 7 7 ASN N N 7 120.872 120.872 120.970 -0.098 25469 10716 1 19 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.717 -0.161 25469 10717 1 19 . 1 1 7 7 ASN C C 7 176.866 176.866 173.763 3.103 25469 10718 1 19 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.756 -0.859 25469 10719 1 19 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.357 -0.275 25469 10720 1 19 . 1 1 7 7 ASN H H 7 7.976 7.976 8.134 -0.158 25469 10721 1 19 . 1 1 8 8 LYS N N 8 121.728 121.728 123.711 -1.983 25469 10722 1 19 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.671 -0.415 25469 10723 1 19 . 1 1 8 8 LYS C C 8 180.142 180.142 175.643 4.499 25469 10724 1 19 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.813 2.387 25469 10725 1 19 . 1 1 8 8 LYS CB C 8 32.292 32.292 35.787 -3.495 25469 10726 1 19 . 1 1 8 8 LYS H H 8 8.572 8.572 8.042 0.530 25469 10727 1 19 . 1 1 9 9 THR N N 9 110.858 110.858 111.905 -1.047 25469 10728 1 19 . 1 1 9 9 THR HA H 9 4.463 4.463 4.482 -0.019 25469 10729 1 19 . 1 1 9 9 THR C C 9 174.485 174.485 173.683 0.802 25469 10730 1 19 . 1 1 9 9 THR CA C 9 61.246 61.246 60.873 0.373 25469 10731 1 19 . 1 1 9 9 THR CB C 9 69.039 69.039 69.367 -0.328 25469 10732 1 19 . 1 1 9 9 THR H H 9 8.691 8.691 8.600 0.091 25469 10733 1 19 . 1 1 10 10 ASP N N 10 121.014 121.014 124.241 -3.227 25469 10734 1 19 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.735 0.090 25469 10735 1 19 . 1 1 10 10 ASP C C 10 173.946 173.946 176.691 -2.745 25469 10736 1 19 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.394 -0.830 25469 10737 1 19 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.378 -1.777 25469 10738 1 19 . 1 1 10 10 ASP H H 10 7.907 7.907 7.986 -0.079 25469 10739 1 19 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.379 -0.224 25469 10740 1 19 . 1 1 11 11 PRO C C 11 178.421 178.421 176.523 1.898 25469 10741 1 19 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.617 1.624 25469 10742 1 19 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.121 0.077 25469 10743 1 19 . 1 1 12 12 ARG N N 12 116.361 116.361 116.594 -0.233 25469 10744 1 19 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.558 -0.466 25469 10745 1 19 . 1 1 12 12 ARG C C 12 180.446 180.446 177.028 3.418 25469 10746 1 19 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.365 2.170 25469 10747 1 19 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.396 -2.146 25469 10748 1 19 . 1 1 12 12 ARG H H 12 7.940 7.940 8.154 -0.214 25469 10749 1 19 . 1 1 13 13 SER N N 13 119.379 119.379 116.000 3.379 25469 10750 1 19 . 1 1 13 13 SER HA H 13 4.052 4.052 4.468 -0.416 25469 10751 1 19 . 1 1 13 13 SER C C 13 178.762 178.762 175.375 3.387 25469 10752 1 19 . 1 1 13 13 SER CA C 13 61.529 61.529 60.927 0.602 25469 10753 1 19 . 1 1 13 13 SER CB C 13 61.778 61.778 63.651 -1.873 25469 10754 1 19 . 1 1 13 13 SER H H 13 8.143 8.143 8.155 -0.012 25469 10755 1 19 . 1 1 14 14 MET N N 14 120.327 120.327 115.170 5.157 25469 10756 1 19 . 1 1 14 14 MET HA H 14 4.097 4.097 4.489 -0.392 25469 10757 1 19 . 1 1 14 14 MET C C 14 178.576 178.576 175.007 3.569 25469 10758 1 19 . 1 1 14 14 MET CA C 14 58.293 58.293 57.337 0.956 25469 10759 1 19 . 1 1 14 14 MET CB C 14 31.813 31.813 33.253 -1.440 25469 10760 1 19 . 1 1 14 14 MET H H 14 8.238 8.238 7.631 0.607 25469 10761 1 19 . 1 1 15 15 ASN N N 15 115.378 115.378 116.266 -0.888 25469 10762 1 19 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.820 -0.195 25469 10763 1 19 . 1 1 15 15 ASN C C 15 172.556 172.556 176.718 -4.162 25469 10764 1 19 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.539 -0.510 25469 10765 1 19 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.299 -1.649 25469 10766 1 19 . 1 1 15 15 ASN H H 15 7.968 7.968 7.604 0.364 25469 10767 1 19 . 1 1 16 16 SER N N 16 106.215 106.215 114.625 -8.410 25469 10768 1 19 . 1 1 16 16 SER HA H 16 4.495 4.495 4.650 -0.155 25469 10769 1 19 . 1 1 16 16 SER C C 16 172.121 172.121 173.899 -1.778 25469 10770 1 19 . 1 1 16 16 SER CA C 16 56.785 56.785 59.030 -2.245 25469 10771 1 19 . 1 1 16 16 SER CB C 16 63.428 63.428 63.761 -0.333 25469 10772 1 19 . 1 1 16 16 SER H H 16 7.253 7.253 7.910 -0.657 25469 10773 1 19 . 1 1 17 17 ARG N N 17 123.348 123.348 122.048 1.300 25469 10774 1 19 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.166 0.426 25469 10775 1 19 . 1 1 17 17 ARG C C 17 174.491 174.491 175.103 -0.612 25469 10776 1 19 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.483 -1.104 25469 10777 1 19 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.399 -0.490 25469 10778 1 19 . 1 1 17 17 ARG H H 17 7.405 7.405 7.672 -0.267 25469 10779 1 19 . 1 1 18 18 VAL N N 18 122.328 122.328 122.756 -0.428 25469 10780 1 19 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.477 0.232 25469 10781 1 19 . 1 1 18 18 VAL C C 18 174.863 174.863 174.221 0.642 25469 10782 1 19 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.616 -0.959 25469 10783 1 19 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.099 -0.797 25469 10784 1 19 . 1 1 18 18 VAL H H 18 9.260 9.260 9.021 0.239 25469 10785 1 19 . 1 1 19 19 PHE N N 19 126.010 126.010 128.570 -2.560 25469 10786 1 19 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.385 0.081 25469 10787 1 19 . 1 1 19 19 PHE C C 19 171.967 171.967 173.764 -1.797 25469 10788 1 19 . 1 1 19 19 PHE CA C 19 57.109 57.109 56.054 1.055 25469 10789 1 19 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.664 -0.641 25469 10790 1 19 . 1 1 19 19 PHE H H 19 9.159 9.159 9.211 -0.052 25469 10791 1 19 . 1 1 20 20 ILE N N 20 126.422 126.422 126.443 -0.021 25469 10792 1 19 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.045 -0.184 25469 10793 1 19 . 1 1 20 20 ILE C C 20 173.050 173.050 174.196 -1.146 25469 10794 1 19 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.807 -0.459 25469 10795 1 19 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.188 1.012 25469 10796 1 19 . 1 1 20 20 ILE H H 20 7.716 7.716 8.030 -0.314 25469 10797 1 19 . 1 1 21 21 GLY N N 21 113.182 113.182 111.778 1.404 25469 10798 1 19 . 1 1 21 21 GLY C C 21 173.769 173.769 173.868 -0.099 25469 10799 1 19 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.202 0.658 25469 10800 1 19 . 1 1 21 21 GLY H H 21 8.550 8.550 7.965 0.585 25469 10801 1 19 . 1 1 22 22 ASN N N 22 116.072 116.072 115.655 0.417 25469 10802 1 19 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.379 -0.032 25469 10803 1 19 . 1 1 22 22 ASN C C 22 174.205 174.205 173.846 0.359 25469 10804 1 19 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.754 -0.321 25469 10805 1 19 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.716 1.110 25469 10806 1 19 . 1 1 22 22 ASN H H 22 7.291 7.291 8.723 -1.432 25469 10807 1 19 . 1 1 23 23 LEU N N 23 118.873 118.873 118.960 -0.087 25469 10808 1 19 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.701 -0.773 25469 10809 1 19 . 1 1 23 23 LEU C C 23 176.551 176.551 176.092 0.459 25469 10810 1 19 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.285 -0.620 25469 10811 1 19 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.487 -0.138 25469 10812 1 19 . 1 1 23 23 LEU H H 23 7.279 7.279 8.004 -0.725 25469 10813 1 19 . 1 1 24 24 ASN N N 24 124.260 124.260 123.451 0.809 25469 10814 1 19 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.480 0.279 25469 10815 1 19 . 1 1 24 24 ASN C C 24 175.831 175.831 175.646 0.185 25469 10816 1 19 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.395 -3.755 25469 10817 1 19 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.478 -2.923 25469 10818 1 19 . 1 1 24 24 ASN H H 24 9.075 9.075 8.801 0.274 25469 10819 1 19 . 1 1 25 25 THR N N 25 118.101 118.101 106.832 11.269 25469 10820 1 19 . 1 1 25 25 THR HA H 25 4.377 4.377 4.116 0.261 25469 10821 1 19 . 1 1 25 25 THR C C 25 175.286 175.286 173.872 1.414 25469 10822 1 19 . 1 1 25 25 THR CA C 25 63.324 63.324 63.491 -0.167 25469 10823 1 19 . 1 1 25 25 THR CB C 25 67.439 67.439 67.445 -0.006 25469 10824 1 19 . 1 1 25 25 THR H H 25 8.226 8.226 8.075 0.151 25469 10825 1 19 . 1 1 26 26 LEU N N 26 121.285 121.285 117.097 4.188 25469 10826 1 19 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.498 -0.187 25469 10827 1 19 . 1 1 26 26 LEU C C 26 178.244 178.244 177.151 1.093 25469 10828 1 19 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.215 1.099 25469 10829 1 19 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.233 -0.905 25469 10830 1 19 . 1 1 26 26 LEU H H 26 7.670 7.670 7.851 -0.181 25469 10831 1 19 . 1 1 27 27 VAL N N 27 114.562 114.562 115.980 -1.418 25469 10832 1 19 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.192 -0.145 25469 10833 1 19 . 1 1 27 27 VAL C C 27 175.200 175.200 175.959 -0.759 25469 10834 1 19 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.379 0.652 25469 10835 1 19 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.416 1.766 25469 10836 1 19 . 1 1 27 27 VAL H H 27 6.790 6.790 7.625 -0.835 25469 10837 1 19 . 1 1 28 28 VAL N N 28 121.996 121.996 120.676 1.320 25469 10838 1 19 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.178 -0.319 25469 10839 1 19 . 1 1 28 28 VAL C C 28 174.352 174.352 174.500 -0.148 25469 10840 1 19 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.344 1.848 25469 10841 1 19 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.980 -1.039 25469 10842 1 19 . 1 1 28 28 VAL H H 28 8.276 8.276 7.549 0.727 25469 10843 1 19 . 1 1 29 29 LYS N N 29 124.228 124.228 124.458 -0.230 25469 10844 1 19 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.668 -0.066 25469 10845 1 19 . 1 1 29 29 LYS C C 29 177.959 177.959 176.379 1.580 25469 10846 1 19 . 1 1 29 29 LYS CA C 29 53.646 53.646 55.040 -1.394 25469 10847 1 19 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.741 -1.346 25469 10848 1 19 . 1 1 29 29 LYS H H 29 8.925 8.925 8.019 0.906 25469 10849 1 19 . 1 1 30 30 LYS N N 30 123.350 123.350 120.569 2.781 25469 10850 1 19 . 1 1 30 30 LYS HA H 30 3.654 3.654 3.972 -0.318 25469 10851 1 19 . 1 1 30 30 LYS C C 30 177.639 177.639 177.083 0.556 25469 10852 1 19 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.907 2.493 25469 10853 1 19 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.969 0.680 25469 10854 1 19 . 1 1 30 30 LYS H H 30 8.993 8.993 8.629 0.364 25469 10855 1 19 . 1 1 31 31 SER N N 31 111.465 111.465 113.391 -1.926 25469 10856 1 19 . 1 1 31 31 SER HA H 31 4.167 4.167 4.657 -0.490 25469 10857 1 19 . 1 1 31 31 SER C C 31 177.617 177.617 174.386 3.231 25469 10858 1 19 . 1 1 31 31 SER CA C 31 61.389 61.389 58.719 2.670 25469 10859 1 19 . 1 1 31 31 SER CB C 31 61.533 61.533 63.419 -1.886 25469 10860 1 19 . 1 1 31 31 SER H H 31 8.669 8.669 8.165 0.504 25469 10861 1 19 . 1 1 32 32 ASP N N 32 122.187 122.187 121.797 0.390 25469 10862 1 19 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.806 -0.286 25469 10863 1 19 . 1 1 32 32 ASP C C 32 178.194 178.194 178.354 -0.160 25469 10864 1 19 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.986 1.202 25469 10865 1 19 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.458 -0.611 25469 10866 1 19 . 1 1 32 32 ASP H H 32 7.141 7.141 8.071 -0.930 25469 10867 1 19 . 1 1 33 33 VAL N N 33 120.138 120.138 120.334 -0.196 25469 10868 1 19 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.938 -0.477 25469 10869 1 19 . 1 1 33 33 VAL C C 33 178.624 178.624 176.653 1.971 25469 10870 1 19 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.881 0.493 25469 10871 1 19 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.683 -0.398 25469 10872 1 19 . 1 1 33 33 VAL H H 33 7.956 7.956 8.288 -0.332 25469 10873 1 19 . 1 1 34 34 GLU N N 34 118.717 118.717 116.384 2.333 25469 10874 1 19 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.224 -0.470 25469 10875 1 19 . 1 1 34 34 GLU C C 34 178.701 178.701 175.970 2.731 25469 10876 1 19 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.499 3.006 25469 10877 1 19 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.823 0.521 25469 10878 1 19 . 1 1 34 34 GLU H H 34 8.637 8.637 8.564 0.073 25469 10879 1 19 . 1 1 35 35 ALA N N 35 121.541 121.541 120.011 1.530 25469 10880 1 19 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.674 -0.525 25469 10881 1 19 . 1 1 35 35 ALA C C 35 180.483 180.483 176.978 3.505 25469 10882 1 19 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.434 3.082 25469 10883 1 19 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.707 -2.659 25469 10884 1 19 . 1 1 35 35 ALA H H 35 7.823 7.823 7.826 -0.003 25469 10885 1 19 . 1 1 36 36 ILE N N 36 117.449 117.449 117.858 -0.409 25469 10886 1 19 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.071 -0.408 25469 10887 1 19 . 1 1 36 36 ILE C C 36 178.665 178.665 176.204 2.461 25469 10888 1 19 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.498 2.313 25469 10889 1 19 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.638 0.152 25469 10890 1 19 . 1 1 36 36 ILE H H 36 7.773 7.773 7.510 0.263 25469 10891 1 19 . 1 1 37 37 PHE N N 37 113.524 113.524 117.218 -3.694 25469 10892 1 19 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.985 -0.627 25469 10893 1 19 . 1 1 37 37 PHE C C 37 179.593 179.593 177.530 2.063 25469 10894 1 19 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.608 3.072 25469 10895 1 19 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.481 -3.271 25469 10896 1 19 . 1 1 37 37 PHE H H 37 8.566 8.566 8.276 0.290 25469 10897 1 19 . 1 1 38 38 SER N N 38 122.025 122.025 114.805 7.220 25469 10898 1 19 . 1 1 38 38 SER HA H 38 4.821 4.821 4.679 0.142 25469 10899 1 19 . 1 1 38 38 SER C C 38 175.439 175.439 175.472 -0.033 25469 10900 1 19 . 1 1 38 38 SER CA C 38 61.519 61.519 60.205 1.314 25469 10901 1 19 . 1 1 38 38 SER CB C 38 62.765 62.765 63.526 -0.761 25469 10902 1 19 . 1 1 38 38 SER H H 38 8.834 8.834 8.547 0.287 25469 10903 1 19 . 1 1 39 39 LYS N N 39 119.387 119.387 118.823 0.564 25469 10904 1 19 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.094 -0.133 25469 10905 1 19 . 1 1 39 39 LYS C C 39 177.064 177.064 176.159 0.905 25469 10906 1 19 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.230 1.048 25469 10907 1 19 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.431 0.155 25469 10908 1 19 . 1 1 39 39 LYS H H 39 7.054 7.054 7.944 -0.890 25469 10909 1 19 . 1 1 40 40 TYR N N 40 114.433 114.433 118.271 -3.838 25469 10910 1 19 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.558 -0.281 25469 10911 1 19 . 1 1 40 40 TYR C C 40 174.842 174.842 174.614 0.228 25469 10912 1 19 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.399 0.451 25469 10913 1 19 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.383 -1.956 25469 10914 1 19 . 1 1 40 40 TYR H H 40 6.956 6.956 7.417 -0.461 25469 10915 1 19 . 1 1 41 41 GLY N N 41 106.514 106.514 103.815 2.699 25469 10916 1 19 . 1 1 41 41 GLY C C 41 170.573 170.573 171.793 -1.220 25469 10917 1 19 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.818 -0.262 25469 10918 1 19 . 1 1 41 41 GLY H H 41 7.428 7.428 7.393 0.035 25469 10919 1 19 . 1 1 42 42 LYS N N 42 117.788 117.788 121.787 -3.999 25469 10920 1 19 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.350 -0.153 25469 10921 1 19 . 1 1 42 42 LYS C C 42 176.536 176.536 176.038 0.498 25469 10922 1 19 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.678 0.458 25469 10923 1 19 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.736 0.231 25469 10924 1 19 . 1 1 42 42 LYS H H 42 8.034 8.034 8.464 -0.430 25469 10925 1 19 . 1 1 43 43 ILE N N 43 127.104 127.104 127.340 -0.236 25469 10926 1 19 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.504 -0.480 25469 10927 1 19 . 1 1 43 43 ILE C C 43 176.993 176.993 176.595 0.398 25469 10928 1 19 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.759 -0.379 25469 10929 1 19 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.638 0.275 25469 10930 1 19 . 1 1 43 43 ILE H H 43 8.711 8.711 8.660 0.051 25469 10931 1 19 . 1 1 44 44 VAL N N 44 121.993 121.993 121.007 0.986 25469 10932 1 19 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.510 -0.146 25469 10933 1 19 . 1 1 44 44 VAL C C 44 176.853 176.853 175.341 1.512 25469 10934 1 19 . 1 1 44 44 VAL CA C 44 61.858 61.858 60.906 0.952 25469 10935 1 19 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.346 -0.794 25469 10936 1 19 . 1 1 44 44 VAL H H 44 8.711 8.711 8.777 -0.066 25469 10937 1 19 . 1 1 45 45 GLY N N 45 109.507 109.507 107.481 2.026 25469 10938 1 19 . 1 1 45 45 GLY C C 45 171.266 171.266 172.089 -0.823 25469 10939 1 19 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.689 -0.680 25469 10940 1 19 . 1 1 45 45 GLY H H 45 7.530 7.530 7.517 0.013 25469 10941 1 19 . 1 1 46 46 CYS N N 46 124.546 124.546 117.234 7.312 25469 10942 1 19 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.464 -0.433 25469 10943 1 19 . 1 1 46 46 CYS C C 46 172.073 172.073 172.281 -0.208 25469 10944 1 19 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.328 1.635 25469 10945 1 19 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.522 -3.180 25469 10946 1 19 . 1 1 46 46 CYS H H 46 8.982 8.982 9.208 -0.226 25469 10947 1 19 . 1 1 47 47 SER N N 47 122.933 122.933 116.169 6.764 25469 10948 1 19 . 1 1 47 47 SER HA H 47 4.908 4.908 4.709 0.199 25469 10949 1 19 . 1 1 47 47 SER C C 47 171.849 171.849 172.292 -0.443 25469 10950 1 19 . 1 1 47 47 SER CA C 47 56.585 56.585 57.512 -0.927 25469 10951 1 19 . 1 1 47 47 SER CB C 47 65.733 65.733 65.442 0.291 25469 10952 1 19 . 1 1 47 47 SER H H 47 8.569 8.569 8.729 -0.160 25469 10953 1 19 . 1 1 48 48 VAL N N 48 121.588 121.588 126.265 -4.677 25469 10954 1 19 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.177 -0.039 25469 10955 1 19 . 1 1 48 48 VAL C C 48 173.991 173.991 174.659 -0.668 25469 10956 1 19 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.836 1.474 25469 10957 1 19 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.263 -0.339 25469 10958 1 19 . 1 1 48 48 VAL H H 48 8.565 8.565 8.250 0.315 25469 10959 1 19 . 1 1 49 49 HIS N N 49 130.308 130.308 123.219 7.089 25469 10960 1 19 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.683 -0.251 25469 10961 1 19 . 1 1 49 49 HIS C C 49 173.950 173.950 173.785 0.165 25469 10962 1 19 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.180 0.471 25469 10963 1 19 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.260 -0.707 25469 10964 1 19 . 1 1 49 49 HIS H H 49 8.441 8.441 8.808 -0.367 25469 10965 1 19 . 1 1 50 50 LYS N N 50 121.937 121.937 119.916 2.021 25469 10966 1 19 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.030 0.430 25469 10967 1 19 . 1 1 50 50 LYS C C 50 175.528 175.528 177.377 -1.849 25469 10968 1 19 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.056 0.233 25469 10969 1 19 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.538 -1.060 25469 10970 1 19 . 1 1 50 50 LYS H H 50 7.926 7.926 8.213 -0.287 25469 10971 1 19 . 1 1 51 51 GLY N N 51 114.868 114.868 112.121 2.747 25469 10972 1 19 . 1 1 51 51 GLY C C 51 174.253 174.253 172.986 1.267 25469 10973 1 19 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.309 -0.789 25469 10974 1 19 . 1 1 51 51 GLY H H 51 8.644 8.644 8.729 -0.085 25469 10975 1 19 . 1 1 52 52 PHE N N 52 112.790 112.790 115.584 -2.794 25469 10976 1 19 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.598 -0.350 25469 10977 1 19 . 1 1 52 52 PHE C C 52 171.606 171.606 172.886 -1.280 25469 10978 1 19 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.051 1.179 25469 10979 1 19 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.646 -0.601 25469 10980 1 19 . 1 1 52 52 PHE H H 52 7.005 7.005 7.198 -0.193 25469 10981 1 19 . 1 1 53 53 ALA N N 53 119.858 119.858 119.691 0.167 25469 10982 1 19 . 1 1 53 53 ALA HA H 53 4.835 4.835 5.069 -0.234 25469 10983 1 19 . 1 1 53 53 ALA C C 53 173.030 173.030 174.555 -1.525 25469 10984 1 19 . 1 1 53 53 ALA CA C 53 50.346 50.346 50.820 -0.474 25469 10985 1 19 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.541 2.192 25469 10986 1 19 . 1 1 53 53 ALA H H 53 8.724 8.724 8.337 0.387 25469 10987 1 19 . 1 1 54 54 PHE N N 54 112.158 112.158 116.167 -4.009 25469 10988 1 19 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.575 0.005 25469 10989 1 19 . 1 1 54 54 PHE C C 54 175.765 175.765 174.122 1.643 25469 10990 1 19 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.047 -0.444 25469 10991 1 19 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.462 -0.169 25469 10992 1 19 . 1 1 54 54 PHE H H 54 8.764 8.764 9.142 -0.378 25469 10993 1 19 . 1 1 55 55 VAL N N 55 118.628 118.628 121.129 -2.501 25469 10994 1 19 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.488 -0.276 25469 10995 1 19 . 1 1 55 55 VAL C C 55 172.807 172.807 173.632 -0.825 25469 10996 1 19 . 1 1 55 55 VAL CA C 55 61.877 61.877 61.082 0.795 25469 10997 1 19 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.837 -0.883 25469 10998 1 19 . 1 1 55 55 VAL H H 55 8.310 8.310 8.986 -0.676 25469 10999 1 19 . 1 1 56 56 GLN N N 56 128.402 128.402 124.441 3.961 25469 11000 1 19 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.753 -0.188 25469 11001 1 19 . 1 1 56 56 GLN C C 56 173.894 173.894 174.200 -0.306 25469 11002 1 19 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.877 0.336 25469 11003 1 19 . 1 1 56 56 GLN CB C 56 32.106 32.106 31.906 0.200 25469 11004 1 19 . 1 1 56 56 GLN H H 56 9.253 9.253 8.901 0.352 25469 11005 1 19 . 1 1 57 57 TYR N N 57 127.617 127.617 124.134 3.483 25469 11006 1 19 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.405 -0.124 25469 11007 1 19 . 1 1 57 57 TYR C C 57 175.610 175.610 176.803 -1.193 25469 11008 1 19 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.456 2.235 25469 11009 1 19 . 1 1 57 57 TYR CB C 57 40.069 40.069 40.936 -0.867 25469 11010 1 19 . 1 1 57 57 TYR H H 57 8.919 8.919 8.986 -0.067 25469 11011 1 19 . 1 1 58 58 VAL N N 58 116.705 116.705 118.653 -1.948 25469 11012 1 19 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.879 0.234 25469 11013 1 19 . 1 1 58 58 VAL C C 58 175.860 175.860 175.727 0.133 25469 11014 1 19 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.552 -0.523 25469 11015 1 19 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.205 0.844 25469 11016 1 19 . 1 1 58 58 VAL H H 58 9.458 9.458 8.805 0.653 25469 11017 1 19 . 1 1 59 59 ASN N N 59 112.563 112.563 114.052 -1.489 25469 11018 1 19 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.807 0.343 25469 11019 1 19 . 1 1 59 59 ASN C C 59 174.483 174.483 175.032 -0.549 25469 11020 1 19 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.327 -0.374 25469 11021 1 19 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.057 2.120 25469 11022 1 19 . 1 1 59 59 ASN H H 59 7.230 7.230 7.417 -0.187 25469 11023 1 19 . 1 1 60 60 GLU N N 60 124.320 124.320 121.017 3.303 25469 11024 1 19 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.210 0.105 25469 11025 1 19 . 1 1 60 60 GLU C C 60 178.202 178.202 177.866 0.336 25469 11026 1 19 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.464 -0.683 25469 11027 1 19 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.746 0.632 25469 11028 1 19 . 1 1 60 60 GLU H H 60 8.807 8.807 8.946 -0.139 25469 11029 1 19 . 1 1 61 61 ARG N N 61 118.347 118.347 118.987 -0.640 25469 11030 1 19 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.038 -0.048 25469 11031 1 19 . 1 1 61 61 ARG C C 61 179.341 179.341 178.544 0.797 25469 11032 1 19 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.559 0.908 25469 11033 1 19 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.757 -0.356 25469 11034 1 19 . 1 1 61 61 ARG H H 61 8.620 8.620 8.309 0.311 25469 11035 1 19 . 1 1 62 62 ASN N N 62 118.085 118.085 117.218 0.867 25469 11036 1 19 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.332 -0.055 25469 11037 1 19 . 1 1 62 62 ASN C C 62 174.852 174.852 176.451 -1.599 25469 11038 1 19 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.193 0.272 25469 11039 1 19 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.212 0.795 25469 11040 1 19 . 1 1 62 62 ASN H H 62 7.781 7.781 7.971 -0.190 25469 11041 1 19 . 1 1 63 63 ALA N N 63 119.580 119.580 123.179 -3.599 25469 11042 1 19 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.436 -0.688 25469 11043 1 19 . 1 1 63 63 ALA C C 63 178.862 178.862 179.339 -0.477 25469 11044 1 19 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.774 0.187 25469 11045 1 19 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.761 -0.220 25469 11046 1 19 . 1 1 63 63 ALA H H 63 6.775 6.775 7.342 -0.567 25469 11047 1 19 . 1 1 64 64 ARG N N 64 114.991 114.991 118.427 -3.436 25469 11048 1 19 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.152 -0.312 25469 11049 1 19 . 1 1 64 64 ARG C C 64 179.776 179.776 178.644 1.132 25469 11050 1 19 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.966 2.216 25469 11051 1 19 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.665 -0.418 25469 11052 1 19 . 1 1 64 64 ARG H H 64 8.737 8.737 8.456 0.281 25469 11053 1 19 . 1 1 65 65 ALA N N 65 123.698 123.698 121.383 2.315 25469 11054 1 19 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.280 -0.153 25469 11055 1 19 . 1 1 65 65 ALA C C 65 179.561 179.561 178.606 0.955 25469 11056 1 19 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.580 0.368 25469 11057 1 19 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.337 -0.446 25469 11058 1 19 . 1 1 65 65 ALA H H 65 7.820 7.820 7.558 0.262 25469 11059 1 19 . 1 1 66 66 ALA N N 66 123.811 123.811 120.216 3.595 25469 11060 1 19 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.781 -1.714 25469 11061 1 19 . 1 1 66 66 ALA C C 66 179.260 179.260 179.456 -0.196 25469 11062 1 19 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.530 -0.221 25469 11063 1 19 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.077 0.231 25469 11064 1 19 . 1 1 66 66 ALA H H 66 7.538 7.538 7.401 0.137 25469 11065 1 19 . 1 1 67 67 VAL N N 67 116.571 116.571 118.260 -1.689 25469 11066 1 19 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.710 -0.355 25469 11067 1 19 . 1 1 67 67 VAL C C 67 177.744 177.744 177.541 0.203 25469 11068 1 19 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.774 -0.244 25469 11069 1 19 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.666 0.301 25469 11070 1 19 . 1 1 67 67 VAL H H 67 7.612 7.612 8.369 -0.757 25469 11071 1 19 . 1 1 68 68 ALA N N 68 118.239 118.239 120.357 -2.118 25469 11072 1 19 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.370 -0.249 25469 11073 1 19 . 1 1 68 68 ALA C C 68 180.749 180.749 178.156 2.593 25469 11074 1 19 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.466 0.886 25469 11075 1 19 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.674 -0.577 25469 11076 1 19 . 1 1 68 68 ALA H H 68 7.549 7.549 7.525 0.024 25469 11077 1 19 . 1 1 69 69 GLY N N 69 103.748 103.748 105.247 -1.499 25469 11078 1 19 . 1 1 69 69 GLY C C 69 175.627 175.627 174.849 0.778 25469 11079 1 19 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.021 1.065 25469 11080 1 19 . 1 1 69 69 GLY H H 69 8.135 8.135 7.322 0.813 25469 11081 1 19 . 1 1 70 70 GLU N N 70 114.571 114.571 116.368 -1.797 25469 11082 1 19 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.350 0.282 25469 11083 1 19 . 1 1 70 70 GLU C C 70 176.392 176.392 175.011 1.381 25469 11084 1 19 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.950 -0.752 25469 11085 1 19 . 1 1 70 70 GLU CB C 70 31.372 31.372 32.033 -0.661 25469 11086 1 19 . 1 1 70 70 GLU H H 70 7.653 7.653 7.610 0.043 25469 11087 1 19 . 1 1 71 71 ASP N N 71 118.127 118.127 121.131 -3.004 25469 11088 1 19 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.376 -0.091 25469 11089 1 19 . 1 1 71 71 ASP C C 71 178.699 178.699 177.034 1.665 25469 11090 1 19 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.034 1.508 25469 11091 1 19 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.194 1.176 25469 11092 1 19 . 1 1 71 71 ASP H H 71 8.026 8.026 7.610 0.416 25469 11093 1 19 . 1 1 72 72 GLY N N 72 114.353 114.353 113.731 0.622 25469 11094 1 19 . 1 1 72 72 GLY C C 72 173.792 173.792 174.362 -0.570 25469 11095 1 19 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.131 0.628 25469 11096 1 19 . 1 1 72 72 GLY H H 72 8.292 8.292 8.159 0.133 25469 11097 1 19 . 1 1 73 73 ARG N N 73 121.996 121.996 118.787 3.209 25469 11098 1 19 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.436 -0.250 25469 11099 1 19 . 1 1 73 73 ARG C C 73 175.188 175.188 174.739 0.449 25469 11100 1 19 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.922 1.554 25469 11101 1 19 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.230 0.089 25469 11102 1 19 . 1 1 73 73 ARG H H 73 7.981 7.981 7.925 0.056 25469 11103 1 19 . 1 1 74 74 MET N N 74 125.120 125.120 120.591 4.529 25469 11104 1 19 . 1 1 74 74 MET HA H 74 4.795 4.795 4.547 0.248 25469 11105 1 19 . 1 1 74 74 MET C C 74 175.727 175.727 174.826 0.901 25469 11106 1 19 . 1 1 74 74 MET CA C 74 55.054 55.054 54.717 0.337 25469 11107 1 19 . 1 1 74 74 MET CB C 74 33.076 33.076 34.299 -1.223 25469 11108 1 19 . 1 1 74 74 MET H H 74 8.710 8.710 8.344 0.366 25469 11109 1 19 . 1 1 75 75 ILE N N 75 127.530 127.530 125.768 1.762 25469 11110 1 19 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.426 -0.039 25469 11111 1 19 . 1 1 75 75 ILE C C 75 175.277 175.277 175.643 -0.366 25469 11112 1 19 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.591 -0.860 25469 11113 1 19 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.372 -0.965 25469 11114 1 19 . 1 1 75 75 ILE H H 75 8.583 8.583 8.751 -0.168 25469 11115 1 19 . 1 1 76 76 ALA N N 76 132.166 132.166 130.097 2.069 25469 11116 1 19 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 11117 1 19 . 1 1 76 76 ALA C C 76 177.206 177.206 177.714 -0.508 25469 11118 1 19 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.258 -0.386 25469 11119 1 19 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.363 -0.115 25469 11120 1 19 . 1 1 76 76 ALA H H 76 9.540 9.540 9.039 0.501 25469 11121 1 19 . 1 1 77 77 GLY N N 77 101.685 101.685 102.796 -1.111 25469 11122 1 19 . 1 1 77 77 GLY C C 77 174.206 174.206 173.893 0.313 25469 11123 1 19 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.876 0.891 25469 11124 1 19 . 1 1 77 77 GLY H H 77 8.446 8.446 8.341 0.105 25469 11125 1 19 . 1 1 78 78 GLN N N 78 118.947 118.947 120.223 -1.276 25469 11126 1 19 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.702 0.029 25469 11127 1 19 . 1 1 78 78 GLN C C 78 174.047 174.047 175.020 -0.973 25469 11128 1 19 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.283 -0.022 25469 11129 1 19 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.415 0.689 25469 11130 1 19 . 1 1 78 78 GLN H H 78 7.708 7.708 8.154 -0.446 25469 11131 1 19 . 1 1 79 79 VAL N N 79 123.383 123.383 126.783 -3.400 25469 11132 1 19 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.464 -0.450 25469 11133 1 19 . 1 1 79 79 VAL C C 79 176.348 176.348 176.361 -0.013 25469 11134 1 19 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.322 -0.654 25469 11135 1 19 . 1 1 79 79 VAL CB C 79 32.129 32.129 31.946 0.183 25469 11136 1 19 . 1 1 79 79 VAL H H 79 8.570 8.570 8.556 0.014 25469 11137 1 19 . 1 1 80 80 LEU N N 80 128.544 128.544 126.714 1.830 25469 11138 1 19 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.741 -0.433 25469 11139 1 19 . 1 1 80 80 LEU C C 80 176.522 176.522 176.424 0.098 25469 11140 1 19 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.461 2.440 25469 11141 1 19 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.796 -0.897 25469 11142 1 19 . 1 1 80 80 LEU H H 80 9.002 9.002 8.545 0.457 25469 11143 1 19 . 1 1 81 81 ASP N N 81 124.135 124.135 122.404 1.731 25469 11144 1 19 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.306 -0.085 25469 11145 1 19 . 1 1 81 81 ASP C C 81 174.660 174.660 174.872 -0.212 25469 11146 1 19 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.670 -0.683 25469 11147 1 19 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.197 0.570 25469 11148 1 19 . 1 1 81 81 ASP H H 81 7.718 7.718 8.489 -0.771 25469 11149 1 19 . 1 1 82 82 ILE N N 82 123.344 123.344 123.484 -0.140 25469 11150 1 19 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.676 0.721 25469 11151 1 19 . 1 1 82 82 ILE C C 82 174.521 174.521 174.797 -0.276 25469 11152 1 19 . 1 1 82 82 ILE CA C 82 59.134 59.134 60.178 -1.044 25469 11153 1 19 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.438 0.529 25469 11154 1 19 . 1 1 82 82 ILE H H 82 9.071 9.071 8.959 0.112 25469 11155 1 19 . 1 1 83 83 ASN N N 83 116.447 116.447 123.147 -6.700 25469 11156 1 19 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.991 -0.149 25469 11157 1 19 . 1 1 83 83 ASN C C 83 174.566 174.566 173.862 0.704 25469 11158 1 19 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.101 1.027 25469 11159 1 19 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.560 0.514 25469 11160 1 19 . 1 1 83 83 ASN H H 83 8.494 8.494 8.901 -0.407 25469 11161 1 19 . 1 1 84 84 LEU N N 84 123.786 123.786 123.095 0.691 25469 11162 1 19 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.340 0.380 25469 11163 1 19 . 1 1 84 84 LEU C C 84 180.969 180.969 178.188 2.781 25469 11164 1 19 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.493 -0.136 25469 11165 1 19 . 1 1 84 84 LEU CB C 84 41.319 41.319 43.323 -2.004 25469 11166 1 19 . 1 1 84 84 LEU H H 84 9.414 9.414 8.793 0.621 25469 11167 1 19 . 1 1 85 85 ALA N N 85 127.577 127.577 128.544 -0.967 25469 11168 1 19 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.327 -0.279 25469 11169 1 19 . 1 1 85 85 ALA C C 85 177.932 177.932 176.598 1.334 25469 11170 1 19 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.240 2.109 25469 11171 1 19 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.922 -0.935 25469 11172 1 19 . 1 1 85 85 ALA H H 85 9.279 9.279 8.274 1.005 25469 11173 1 19 . 1 1 86 86 ALA N N 86 116.071 116.071 116.901 -0.830 25469 11174 1 19 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.406 0.005 25469 11175 1 19 . 1 1 86 86 ALA C C 86 176.153 176.153 176.453 -0.300 25469 11176 1 19 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.127 -0.398 25469 11177 1 19 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.502 -0.192 25469 11178 1 19 . 1 1 86 86 ALA H H 86 8.687 8.687 8.025 0.662 25469 11179 1 19 . 1 1 87 87 GLU N N 87 118.959 118.959 119.452 -0.493 25469 11180 1 19 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.626 0.110 25469 11181 1 19 . 1 1 87 87 GLU C C 87 171.677 171.677 173.908 -2.231 25469 11182 1 19 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.412 -0.240 25469 11183 1 19 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.337 -0.364 25469 11184 1 19 . 1 1 87 87 GLU H H 87 7.901 7.901 7.824 0.077 25469 11185 1 19 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.385 -0.042 25469 11186 1 19 . 1 1 88 88 PRO C C 88 177.303 177.303 175.642 1.661 25469 11187 1 19 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.231 -0.313 25469 11188 1 19 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.476 -0.578 25469 11189 1 19 . 1 1 89 89 LYS N N 89 121.298 121.298 121.135 0.163 25469 11190 1 19 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.487 -0.260 25469 11191 1 19 . 1 1 89 89 LYS C C 89 177.690 177.690 175.944 1.746 25469 11192 1 19 . 1 1 89 89 LYS CA C 89 56.802 56.802 55.697 1.105 25469 11193 1 19 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.897 0.607 25469 11194 1 19 . 1 1 89 89 LYS H H 89 7.973 7.973 8.351 -0.378 25469 11195 1 19 . 1 1 90 90 VAL N N 90 120.788 120.788 119.228 1.560 25469 11196 1 19 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.246 -0.317 25469 11197 1 19 . 1 1 90 90 VAL C C 90 176.170 176.170 177.040 -0.870 25469 11198 1 19 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.369 0.848 25469 11199 1 19 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.305 -0.959 25469 11200 1 19 . 1 1 90 90 VAL H H 90 8.216 8.216 8.386 -0.170 25469 11201 1 19 . 1 1 91 91 ASN N N 91 119.438 119.438 118.336 1.102 25469 11202 1 19 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.515 0.144 25469 11203 1 19 . 1 1 91 91 ASN C C 91 175.173 175.173 175.950 -0.777 25469 11204 1 19 . 1 1 91 91 ASN CA C 91 53.037 53.037 55.063 -2.026 25469 11205 1 19 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.334 -0.168 25469 11206 1 19 . 1 1 91 91 ASN H H 91 8.451 8.451 8.546 -0.095 25469 11207 1 19 . 1 1 92 92 ARG N N 92 120.958 120.958 119.717 1.241 25469 11208 1 19 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.178 0.059 25469 11209 1 19 . 1 1 92 92 ARG C C 92 177.002 177.002 176.992 0.010 25469 11210 1 19 . 1 1 92 92 ARG CA C 92 56.644 56.644 57.969 -1.325 25469 11211 1 19 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.633 -0.107 25469 11212 1 19 . 1 1 92 92 ARG H H 92 7.978 7.978 7.944 0.034 25469 11213 1 19 . 1 1 93 93 GLY N N 93 110.275 110.275 106.832 3.443 25469 11214 1 19 . 1 1 93 93 GLY C C 93 174.246 174.246 174.563 -0.317 25469 11215 1 19 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.222 0.162 25469 11216 1 19 . 1 1 93 93 GLY H H 93 8.604 8.604 7.710 0.894 25469 11217 1 19 . 1 1 94 94 LYS N N 94 120.750 120.750 119.784 0.966 25469 11218 1 19 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.526 -0.229 25469 11219 1 19 . 1 1 94 94 LYS C C 94 176.525 176.525 175.506 1.019 25469 11220 1 19 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.661 -0.617 25469 11221 1 19 . 1 1 94 94 LYS CB C 94 33.025 33.025 34.810 -1.785 25469 11222 1 19 . 1 1 94 94 LYS H H 94 8.113 8.113 8.475 -0.362 25469 11223 1 19 . 1 1 95 95 ALA N N 95 124.912 124.912 121.814 3.098 25469 11224 1 19 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.621 -0.322 25469 11225 1 19 . 1 1 95 95 ALA C C 95 178.325 178.325 177.440 0.885 25469 11226 1 19 . 1 1 95 95 ALA CA C 95 52.752 52.752 52.602 0.150 25469 11227 1 19 . 1 1 95 95 ALA CB C 95 19.140 19.140 19.301 -0.161 25469 11228 1 19 . 1 1 95 95 ALA H H 95 8.367 8.367 7.951 0.416 25469 11229 1 19 . 1 1 96 96 GLY N N 96 108.328 108.328 107.032 1.296 25469 11230 1 19 . 1 1 96 96 GLY C C 96 174.096 174.096 174.050 0.046 25469 11231 1 19 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.293 -0.052 25469 11232 1 19 . 1 1 96 96 GLY H H 96 8.390 8.390 8.414 -0.024 25469 11233 1 19 . 1 1 97 97 VAL N N 97 119.774 119.774 120.098 -0.324 25469 11234 1 19 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.315 -0.238 25469 11235 1 19 . 1 1 97 97 VAL C C 97 176.156 176.156 174.815 1.341 25469 11236 1 19 . 1 1 97 97 VAL CA C 97 62.299 62.299 60.864 1.435 25469 11237 1 19 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.363 -0.509 25469 11238 1 19 . 1 1 97 97 VAL H H 97 7.925 7.925 7.584 0.341 25469 11239 1 19 . 1 1 98 98 LYS N N 98 126.024 126.024 126.578 -0.554 25469 11240 1 19 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.558 -0.232 25469 11241 1 19 . 1 1 98 98 LYS C C 98 176.427 176.427 175.913 0.514 25469 11242 1 19 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.977 0.124 25469 11243 1 19 . 1 1 98 98 LYS CB C 98 33.061 33.061 33.060 0.001 25469 11244 1 19 . 1 1 98 98 LYS H H 98 8.473 8.473 8.566 -0.093 25469 11245 1 19 . 1 1 99 99 ARG N N 99 123.644 123.644 119.988 3.656 25469 11246 1 19 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.424 -0.045 25469 11247 1 19 . 1 1 99 99 ARG C C 99 176.231 176.231 176.872 -0.641 25469 11248 1 19 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.582 0.350 25469 11249 1 19 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.245 0.021 25469 11250 1 19 . 1 1 99 99 ARG H H 99 8.464 8.464 7.623 0.841 25469 11251 1 19 . 1 1 100 100 SER N N 100 117.863 117.863 117.872 -0.009 25469 11252 1 19 . 1 1 100 100 SER HA H 100 4.449 4.449 4.256 0.193 25469 11253 1 19 . 1 1 100 100 SER C C 100 174.556 174.556 174.210 0.346 25469 11254 1 19 . 1 1 100 100 SER CA C 100 57.985 57.985 59.852 -1.867 25469 11255 1 19 . 1 1 100 100 SER CB C 100 64.167 64.167 63.118 1.049 25469 11256 1 19 . 1 1 100 100 SER H H 100 8.516 8.516 8.977 -0.461 25469 11257 1 19 . 1 1 101 101 ALA N N 101 126.048 126.048 120.448 5.600 25469 11258 1 19 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.097 0.160 25469 11259 1 19 . 1 1 101 101 ALA C C 101 178.047 178.047 176.576 1.471 25469 11260 1 19 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.316 0.032 25469 11261 1 19 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.823 1.122 25469 11262 1 19 . 1 1 101 101 ALA H H 101 8.538 8.538 8.158 0.380 25469 11263 1 19 . 1 1 102 102 ALA N N 102 121.566 121.566 119.420 2.146 25469 11264 1 19 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.508 -0.283 25469 11265 1 19 . 1 1 102 102 ALA C C 102 178.254 178.254 178.345 -0.091 25469 11266 1 19 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.111 0.934 25469 11267 1 19 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.593 -0.550 25469 11268 1 19 . 1 1 102 102 ALA H H 102 8.212 8.212 8.164 0.048 25469 11269 1 19 . 1 1 103 103 GLU N N 103 118.735 118.735 118.843 -0.108 25469 11270 1 19 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.249 -0.048 25469 11271 1 19 . 1 1 103 103 GLU C C 103 176.516 176.516 176.963 -0.447 25469 11272 1 19 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.000 -1.344 25469 11273 1 19 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.430 0.796 25469 11274 1 19 . 1 1 103 103 GLU H H 103 8.071 8.071 8.871 -0.800 25469 11275 1 19 . 1 1 104 104 MET N N 104 120.106 120.106 112.762 7.344 25469 11276 1 19 . 1 1 104 104 MET HA H 104 4.326 4.326 4.705 -0.379 25469 11277 1 19 . 1 1 104 104 MET C C 104 175.862 175.862 174.786 1.076 25469 11278 1 19 . 1 1 104 104 MET CA C 104 55.939 55.939 55.177 0.762 25469 11279 1 19 . 1 1 104 104 MET CB C 104 32.999 32.999 33.295 -0.296 25469 11280 1 19 . 1 1 104 104 MET H H 104 8.073 8.073 7.975 0.098 25469 11281 1 19 . 1 1 105 105 TYR N N 105 120.285 120.285 119.967 0.318 25469 11282 1 19 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.696 -0.043 25469 11283 1 19 . 1 1 105 105 TYR C C 105 175.319 175.319 176.378 -1.059 25469 11284 1 19 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.910 -0.315 25469 11285 1 19 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.036 -0.097 25469 11286 1 19 . 1 1 105 105 TYR H H 105 8.126 8.126 7.954 0.172 25469 11287 1 20 . 1 1 3 3 SER HA H 3 4.553 4.553 4.489 0.064 25469 11288 1 20 . 1 1 3 3 SER C C 3 173.408 173.408 174.874 -1.466 25469 11289 1 20 . 1 1 3 3 SER CA C 3 58.273 58.273 57.640 0.633 25469 11290 1 20 . 1 1 3 3 SER CB C 3 63.940 63.940 63.969 -0.029 25469 11291 1 20 . 1 1 4 4 ASN N N 4 120.235 120.235 119.507 0.728 25469 11292 1 20 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.865 0.352 25469 11293 1 20 . 1 1 4 4 ASN C C 4 176.243 176.243 174.345 1.898 25469 11294 1 20 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.289 -0.245 25469 11295 1 20 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.884 -0.152 25469 11296 1 20 . 1 1 4 4 ASN H H 4 8.774 8.774 8.637 0.137 25469 11297 1 20 . 1 1 5 5 VAL N N 5 122.554 122.554 119.277 3.277 25469 11298 1 20 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.184 -0.415 25469 11299 1 20 . 1 1 5 5 VAL C C 5 177.223 177.223 175.579 1.644 25469 11300 1 20 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.688 3.123 25469 11301 1 20 . 1 1 5 5 VAL CB C 5 30.874 30.874 31.984 -1.110 25469 11302 1 20 . 1 1 5 5 VAL H H 5 8.315 8.315 7.644 0.671 25469 11303 1 20 . 1 1 6 6 THR N N 6 118.503 118.503 115.146 3.357 25469 11304 1 20 . 1 1 6 6 THR HA H 6 4.678 4.678 4.449 0.229 25469 11305 1 20 . 1 1 6 6 THR C C 6 174.350 174.350 173.238 1.112 25469 11306 1 20 . 1 1 6 6 THR CA C 6 60.560 60.560 61.347 -0.787 25469 11307 1 20 . 1 1 6 6 THR CB C 6 69.833 69.833 69.715 0.118 25469 11308 1 20 . 1 1 6 6 THR H H 6 9.394 9.394 8.424 0.970 25469 11309 1 20 . 1 1 7 7 ASN N N 7 120.872 120.872 119.563 1.309 25469 11310 1 20 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.644 -0.088 25469 11311 1 20 . 1 1 7 7 ASN C C 7 176.866 176.866 173.761 3.105 25469 11312 1 20 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.446 -0.549 25469 11313 1 20 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.731 -0.649 25469 11314 1 20 . 1 1 7 7 ASN H H 7 7.976 7.976 8.146 -0.170 25469 11315 1 20 . 1 1 8 8 LYS N N 8 121.728 121.728 123.704 -1.976 25469 11316 1 20 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.607 -0.351 25469 11317 1 20 . 1 1 8 8 LYS C C 8 180.142 180.142 175.328 4.814 25469 11318 1 20 . 1 1 8 8 LYS CA C 8 58.200 58.200 55.763 2.437 25469 11319 1 20 . 1 1 8 8 LYS CB C 8 32.292 32.292 36.073 -3.781 25469 11320 1 20 . 1 1 8 8 LYS H H 8 8.572 8.572 8.216 0.356 25469 11321 1 20 . 1 1 9 9 THR N N 9 110.858 110.858 110.706 0.152 25469 11322 1 20 . 1 1 9 9 THR HA H 9 4.463 4.463 4.540 -0.077 25469 11323 1 20 . 1 1 9 9 THR C C 9 174.485 174.485 173.560 0.925 25469 11324 1 20 . 1 1 9 9 THR CA C 9 61.246 61.246 60.979 0.267 25469 11325 1 20 . 1 1 9 9 THR CB C 9 69.039 69.039 69.589 -0.550 25469 11326 1 20 . 1 1 9 9 THR H H 9 8.691 8.691 8.495 0.196 25469 11327 1 20 . 1 1 10 10 ASP N N 10 121.014 121.014 124.166 -3.152 25469 11328 1 20 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.886 -0.061 25469 11329 1 20 . 1 1 10 10 ASP C C 10 173.946 173.946 174.761 -0.815 25469 11330 1 20 . 1 1 10 10 ASP CA C 10 52.564 52.564 52.893 -0.329 25469 11331 1 20 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.290 -1.689 25469 11332 1 20 . 1 1 10 10 ASP H H 10 7.907 7.907 7.979 -0.072 25469 11333 1 20 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.626 -0.471 25469 11334 1 20 . 1 1 11 11 PRO C C 11 178.421 178.421 177.909 0.512 25469 11335 1 20 . 1 1 11 11 PRO CA C 11 66.241 66.241 63.967 2.274 25469 11336 1 20 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.374 -0.176 25469 11337 1 20 . 1 1 12 12 ARG N N 12 116.361 116.361 120.292 -3.931 25469 11338 1 20 . 1 1 12 12 ARG HA H 12 4.092 4.092 3.854 0.238 25469 11339 1 20 . 1 1 12 12 ARG C C 12 180.446 180.446 176.892 3.554 25469 11340 1 20 . 1 1 12 12 ARG CA C 12 59.535 59.535 58.201 1.334 25469 11341 1 20 . 1 1 12 12 ARG CB C 12 29.250 29.250 28.540 0.710 25469 11342 1 20 . 1 1 12 12 ARG H H 12 7.940 7.940 9.644 -1.704 25469 11343 1 20 . 1 1 13 13 SER N N 13 119.379 119.379 113.010 6.369 25469 11344 1 20 . 1 1 13 13 SER HA H 13 4.052 4.052 4.548 -0.496 25469 11345 1 20 . 1 1 13 13 SER C C 13 178.762 178.762 175.407 3.355 25469 11346 1 20 . 1 1 13 13 SER CA C 13 61.529 61.529 61.407 0.122 25469 11347 1 20 . 1 1 13 13 SER CB C 13 61.778 61.778 64.493 -2.715 25469 11348 1 20 . 1 1 13 13 SER H H 13 8.143 8.143 7.749 0.394 25469 11349 1 20 . 1 1 14 14 MET N N 14 120.327 120.327 117.417 2.910 25469 11350 1 20 . 1 1 14 14 MET HA H 14 4.097 4.097 4.688 -0.591 25469 11351 1 20 . 1 1 14 14 MET C C 14 178.576 178.576 174.985 3.591 25469 11352 1 20 . 1 1 14 14 MET CA C 14 58.293 58.293 56.964 1.329 25469 11353 1 20 . 1 1 14 14 MET CB C 14 31.813 31.813 33.598 -1.785 25469 11354 1 20 . 1 1 14 14 MET H H 14 8.238 8.238 8.042 0.196 25469 11355 1 20 . 1 1 15 15 ASN N N 15 115.378 115.378 117.351 -1.973 25469 11356 1 20 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.710 -0.085 25469 11357 1 20 . 1 1 15 15 ASN C C 15 172.556 172.556 176.880 -4.324 25469 11358 1 20 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.801 -0.772 25469 11359 1 20 . 1 1 15 15 ASN CB C 15 38.650 38.650 38.991 -0.341 25469 11360 1 20 . 1 1 15 15 ASN H H 15 7.968 7.968 8.555 -0.587 25469 11361 1 20 . 1 1 16 16 SER N N 16 106.215 106.215 113.432 -7.217 25469 11362 1 20 . 1 1 16 16 SER HA H 16 4.495 4.495 4.575 -0.080 25469 11363 1 20 . 1 1 16 16 SER C C 16 172.121 172.121 174.219 -2.098 25469 11364 1 20 . 1 1 16 16 SER CA C 16 56.785 56.785 58.570 -1.785 25469 11365 1 20 . 1 1 16 16 SER CB C 16 63.428 63.428 63.471 -0.043 25469 11366 1 20 . 1 1 16 16 SER H H 16 7.253 7.253 8.313 -1.060 25469 11367 1 20 . 1 1 17 17 ARG N N 17 123.348 123.348 122.221 1.127 25469 11368 1 20 . 1 1 17 17 ARG HA H 17 5.592 5.592 4.998 0.594 25469 11369 1 20 . 1 1 17 17 ARG C C 17 174.491 174.491 175.222 -0.731 25469 11370 1 20 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.716 -1.337 25469 11371 1 20 . 1 1 17 17 ARG CB C 17 32.909 32.909 32.938 -0.029 25469 11372 1 20 . 1 1 17 17 ARG H H 17 7.405 7.405 7.731 -0.326 25469 11373 1 20 . 1 1 18 18 VAL N N 18 122.328 122.328 122.655 -0.327 25469 11374 1 20 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.516 0.193 25469 11375 1 20 . 1 1 18 18 VAL C C 18 174.863 174.863 174.016 0.847 25469 11376 1 20 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.093 -0.436 25469 11377 1 20 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.011 -0.709 25469 11378 1 20 . 1 1 18 18 VAL H H 18 9.260 9.260 8.993 0.267 25469 11379 1 20 . 1 1 19 19 PHE N N 19 126.010 126.010 128.753 -2.743 25469 11380 1 20 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.195 0.271 25469 11381 1 20 . 1 1 19 19 PHE C C 19 171.967 171.967 173.545 -1.578 25469 11382 1 20 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.392 1.717 25469 11383 1 20 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.408 -0.385 25469 11384 1 20 . 1 1 19 19 PHE H H 19 9.159 9.159 9.262 -0.103 25469 11385 1 20 . 1 1 20 20 ILE N N 20 126.422 126.422 127.129 -0.707 25469 11386 1 20 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.061 -0.200 25469 11387 1 20 . 1 1 20 20 ILE C C 20 173.050 173.050 174.357 -1.307 25469 11388 1 20 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.883 -0.535 25469 11389 1 20 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.154 1.046 25469 11390 1 20 . 1 1 20 20 ILE H H 20 7.716 7.716 8.238 -0.522 25469 11391 1 20 . 1 1 21 21 GLY N N 21 113.182 113.182 111.381 1.801 25469 11392 1 20 . 1 1 21 21 GLY C C 21 173.769 173.769 173.953 -0.184 25469 11393 1 20 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.319 0.541 25469 11394 1 20 . 1 1 21 21 GLY H H 21 8.550 8.550 7.887 0.663 25469 11395 1 20 . 1 1 22 22 ASN N N 22 116.072 116.072 115.706 0.366 25469 11396 1 20 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.346 0.001 25469 11397 1 20 . 1 1 22 22 ASN C C 22 174.205 174.205 173.866 0.339 25469 11398 1 20 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.695 -0.262 25469 11399 1 20 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.707 1.119 25469 11400 1 20 . 1 1 22 22 ASN H H 22 7.291 7.291 8.594 -1.303 25469 11401 1 20 . 1 1 23 23 LEU N N 23 118.873 118.873 118.941 -0.068 25469 11402 1 20 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.681 -0.753 25469 11403 1 20 . 1 1 23 23 LEU C C 23 176.551 176.551 176.242 0.309 25469 11404 1 20 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.381 -0.716 25469 11405 1 20 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.354 -0.005 25469 11406 1 20 . 1 1 23 23 LEU H H 23 7.279 7.279 7.945 -0.666 25469 11407 1 20 . 1 1 24 24 ASN N N 24 124.260 124.260 123.000 1.260 25469 11408 1 20 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.466 0.293 25469 11409 1 20 . 1 1 24 24 ASN C C 24 175.831 175.831 175.429 0.402 25469 11410 1 20 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.365 -3.725 25469 11411 1 20 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.457 -2.902 25469 11412 1 20 . 1 1 24 24 ASN H H 24 9.075 9.075 8.803 0.272 25469 11413 1 20 . 1 1 25 25 THR N N 25 118.101 118.101 106.754 11.347 25469 11414 1 20 . 1 1 25 25 THR HA H 25 4.377 4.377 4.147 0.230 25469 11415 1 20 . 1 1 25 25 THR C C 25 175.286 175.286 174.471 0.815 25469 11416 1 20 . 1 1 25 25 THR CA C 25 63.324 63.324 63.752 -0.428 25469 11417 1 20 . 1 1 25 25 THR CB C 25 67.439 67.439 67.421 0.018 25469 11418 1 20 . 1 1 25 25 THR H H 25 8.226 8.226 8.041 0.185 25469 11419 1 20 . 1 1 26 26 LEU N N 26 121.285 121.285 117.821 3.464 25469 11420 1 20 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.434 -0.123 25469 11421 1 20 . 1 1 26 26 LEU C C 26 178.244 178.244 177.439 0.805 25469 11422 1 20 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.574 0.740 25469 11423 1 20 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.382 -1.054 25469 11424 1 20 . 1 1 26 26 LEU H H 26 7.670 7.670 7.718 -0.048 25469 11425 1 20 . 1 1 27 27 VAL N N 27 114.562 114.562 116.090 -1.528 25469 11426 1 20 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.106 -0.059 25469 11427 1 20 . 1 1 27 27 VAL C C 27 175.200 175.200 175.592 -0.392 25469 11428 1 20 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.672 0.359 25469 11429 1 20 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.043 2.139 25469 11430 1 20 . 1 1 27 27 VAL H H 27 6.790 6.790 7.585 -0.795 25469 11431 1 20 . 1 1 28 28 VAL N N 28 121.996 121.996 120.682 1.314 25469 11432 1 20 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.184 -0.325 25469 11433 1 20 . 1 1 28 28 VAL C C 28 174.352 174.352 174.525 -0.173 25469 11434 1 20 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.467 1.725 25469 11435 1 20 . 1 1 28 28 VAL CB C 28 31.941 31.941 33.099 -1.159 25469 11436 1 20 . 1 1 28 28 VAL H H 28 8.276 8.276 7.626 0.650 25469 11437 1 20 . 1 1 29 29 LYS N N 29 124.228 124.228 124.672 -0.444 25469 11438 1 20 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.707 -0.105 25469 11439 1 20 . 1 1 29 29 LYS C C 29 177.959 177.959 177.012 0.947 25469 11440 1 20 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.891 -1.245 25469 11441 1 20 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.800 -1.405 25469 11442 1 20 . 1 1 29 29 LYS H H 29 8.925 8.925 8.029 0.896 25469 11443 1 20 . 1 1 30 30 LYS N N 30 123.350 123.350 120.315 3.035 25469 11444 1 20 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.038 -0.384 25469 11445 1 20 . 1 1 30 30 LYS C C 30 177.639 177.639 176.606 1.033 25469 11446 1 20 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.628 2.772 25469 11447 1 20 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.883 0.766 25469 11448 1 20 . 1 1 30 30 LYS H H 30 8.993 8.993 8.655 0.338 25469 11449 1 20 . 1 1 31 31 SER N N 31 111.465 111.465 113.868 -2.403 25469 11450 1 20 . 1 1 31 31 SER HA H 31 4.167 4.167 4.723 -0.556 25469 11451 1 20 . 1 1 31 31 SER C C 31 177.617 177.617 174.196 3.421 25469 11452 1 20 . 1 1 31 31 SER CA C 31 61.389 61.389 58.697 2.692 25469 11453 1 20 . 1 1 31 31 SER CB C 31 61.533 61.533 63.575 -2.042 25469 11454 1 20 . 1 1 31 31 SER H H 31 8.669 8.669 8.136 0.533 25469 11455 1 20 . 1 1 32 32 ASP N N 32 122.187 122.187 121.702 0.485 25469 11456 1 20 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.814 -0.294 25469 11457 1 20 . 1 1 32 32 ASP C C 32 178.194 178.194 178.315 -0.121 25469 11458 1 20 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.956 1.232 25469 11459 1 20 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.525 -0.678 25469 11460 1 20 . 1 1 32 32 ASP H H 32 7.141 7.141 8.113 -0.972 25469 11461 1 20 . 1 1 33 33 VAL N N 33 120.138 120.138 120.262 -0.124 25469 11462 1 20 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.927 -0.466 25469 11463 1 20 . 1 1 33 33 VAL C C 33 178.624 178.624 176.660 1.964 25469 11464 1 20 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.924 0.451 25469 11465 1 20 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.682 -0.397 25469 11466 1 20 . 1 1 33 33 VAL H H 33 7.956 7.956 8.147 -0.191 25469 11467 1 20 . 1 1 34 34 GLU N N 34 118.717 118.717 116.326 2.391 25469 11468 1 20 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.214 -0.460 25469 11469 1 20 . 1 1 34 34 GLU C C 34 178.701 178.701 175.978 2.723 25469 11470 1 20 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.597 2.908 25469 11471 1 20 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.781 0.563 25469 11472 1 20 . 1 1 34 34 GLU H H 34 8.637 8.637 8.683 -0.046 25469 11473 1 20 . 1 1 35 35 ALA N N 35 121.541 121.541 119.979 1.562 25469 11474 1 20 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.684 -0.535 25469 11475 1 20 . 1 1 35 35 ALA C C 35 180.483 180.483 176.986 3.497 25469 11476 1 20 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.434 3.082 25469 11477 1 20 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.734 -2.686 25469 11478 1 20 . 1 1 35 35 ALA H H 35 7.823 7.823 7.851 -0.028 25469 11479 1 20 . 1 1 36 36 ILE N N 36 117.449 117.449 117.875 -0.426 25469 11480 1 20 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.075 -0.412 25469 11481 1 20 . 1 1 36 36 ILE C C 36 178.665 178.665 176.163 2.502 25469 11482 1 20 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.493 2.318 25469 11483 1 20 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.650 0.140 25469 11484 1 20 . 1 1 36 36 ILE H H 36 7.773 7.773 7.521 0.252 25469 11485 1 20 . 1 1 37 37 PHE N N 37 113.524 113.524 117.141 -3.617 25469 11486 1 20 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.999 -0.641 25469 11487 1 20 . 1 1 37 37 PHE C C 37 179.593 179.593 177.504 2.089 25469 11488 1 20 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.502 3.178 25469 11489 1 20 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.556 -3.346 25469 11490 1 20 . 1 1 37 37 PHE H H 37 8.566 8.566 8.313 0.253 25469 11491 1 20 . 1 1 38 38 SER N N 38 122.025 122.025 115.224 6.801 25469 11492 1 20 . 1 1 38 38 SER HA H 38 4.821 4.821 4.693 0.128 25469 11493 1 20 . 1 1 38 38 SER C C 38 175.439 175.439 175.481 -0.042 25469 11494 1 20 . 1 1 38 38 SER CA C 38 61.519 61.519 60.151 1.368 25469 11495 1 20 . 1 1 38 38 SER CB C 38 62.765 62.765 63.529 -0.764 25469 11496 1 20 . 1 1 38 38 SER H H 38 8.834 8.834 8.502 0.332 25469 11497 1 20 . 1 1 39 39 LYS N N 39 119.387 119.387 118.313 1.074 25469 11498 1 20 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.087 -0.126 25469 11499 1 20 . 1 1 39 39 LYS C C 39 177.064 177.064 176.196 0.868 25469 11500 1 20 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.342 0.937 25469 11501 1 20 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.629 -0.043 25469 11502 1 20 . 1 1 39 39 LYS H H 39 7.054 7.054 7.919 -0.865 25469 11503 1 20 . 1 1 40 40 TYR N N 40 114.433 114.433 118.277 -3.844 25469 11504 1 20 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.554 -0.277 25469 11505 1 20 . 1 1 40 40 TYR C C 40 174.842 174.842 174.614 0.228 25469 11506 1 20 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.410 0.440 25469 11507 1 20 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.350 -1.923 25469 11508 1 20 . 1 1 40 40 TYR H H 40 6.956 6.956 7.406 -0.450 25469 11509 1 20 . 1 1 41 41 GLY N N 41 106.514 106.514 103.823 2.691 25469 11510 1 20 . 1 1 41 41 GLY C C 41 170.573 170.573 171.809 -1.236 25469 11511 1 20 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.814 -0.258 25469 11512 1 20 . 1 1 41 41 GLY H H 41 7.428 7.428 7.383 0.045 25469 11513 1 20 . 1 1 42 42 LYS N N 42 117.788 117.788 121.798 -4.010 25469 11514 1 20 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.339 -0.142 25469 11515 1 20 . 1 1 42 42 LYS C C 42 176.536 176.536 176.032 0.504 25469 11516 1 20 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.736 0.400 25469 11517 1 20 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.751 0.216 25469 11518 1 20 . 1 1 42 42 LYS H H 42 8.034 8.034 8.472 -0.438 25469 11519 1 20 . 1 1 43 43 ILE N N 43 127.104 127.104 127.247 -0.143 25469 11520 1 20 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.484 -0.460 25469 11521 1 20 . 1 1 43 43 ILE C C 43 176.993 176.993 176.487 0.506 25469 11522 1 20 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.792 -0.412 25469 11523 1 20 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.724 0.189 25469 11524 1 20 . 1 1 43 43 ILE H H 43 8.711 8.711 8.651 0.060 25469 11525 1 20 . 1 1 44 44 VAL N N 44 121.993 121.993 120.723 1.270 25469 11526 1 20 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.498 -0.134 25469 11527 1 20 . 1 1 44 44 VAL C C 44 176.853 176.853 175.034 1.819 25469 11528 1 20 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.079 0.779 25469 11529 1 20 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.169 -0.617 25469 11530 1 20 . 1 1 44 44 VAL H H 44 8.711 8.711 8.820 -0.109 25469 11531 1 20 . 1 1 45 45 GLY N N 45 109.507 109.507 107.967 1.540 25469 11532 1 20 . 1 1 45 45 GLY C C 45 171.266 171.266 172.108 -0.842 25469 11533 1 20 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.691 -0.682 25469 11534 1 20 . 1 1 45 45 GLY H H 45 7.530 7.530 7.473 0.057 25469 11535 1 20 . 1 1 46 46 CYS N N 46 124.546 124.546 118.069 6.477 25469 11536 1 20 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.505 -0.474 25469 11537 1 20 . 1 1 46 46 CYS C C 46 172.073 172.073 172.416 -0.343 25469 11538 1 20 . 1 1 46 46 CYS CA C 46 57.963 57.963 56.694 1.269 25469 11539 1 20 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.763 -3.421 25469 11540 1 20 . 1 1 46 46 CYS H H 46 8.982 8.982 9.230 -0.248 25469 11541 1 20 . 1 1 47 47 SER N N 47 122.933 122.933 116.216 6.717 25469 11542 1 20 . 1 1 47 47 SER HA H 47 4.908 4.908 4.761 0.147 25469 11543 1 20 . 1 1 47 47 SER C C 47 171.849 171.849 172.205 -0.356 25469 11544 1 20 . 1 1 47 47 SER CA C 47 56.585 56.585 57.209 -0.624 25469 11545 1 20 . 1 1 47 47 SER CB C 47 65.733 65.733 65.273 0.460 25469 11546 1 20 . 1 1 47 47 SER H H 47 8.569 8.569 8.801 -0.232 25469 11547 1 20 . 1 1 48 48 VAL N N 48 121.588 121.588 124.757 -3.169 25469 11548 1 20 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.344 -0.206 25469 11549 1 20 . 1 1 48 48 VAL C C 48 173.991 173.991 174.654 -0.663 25469 11550 1 20 . 1 1 48 48 VAL CA C 48 62.310 62.310 60.736 1.574 25469 11551 1 20 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.459 -0.535 25469 11552 1 20 . 1 1 48 48 VAL H H 48 8.565 8.565 8.493 0.072 25469 11553 1 20 . 1 1 49 49 HIS N N 49 130.308 130.308 124.289 6.019 25469 11554 1 20 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.755 -0.323 25469 11555 1 20 . 1 1 49 49 HIS C C 49 173.950 173.950 173.375 0.575 25469 11556 1 20 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.039 0.612 25469 11557 1 20 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.653 -1.100 25469 11558 1 20 . 1 1 49 49 HIS H H 49 8.441 8.441 8.858 -0.417 25469 11559 1 20 . 1 1 50 50 LYS N N 50 121.937 121.937 120.529 1.408 25469 11560 1 20 . 1 1 50 50 LYS HA H 50 4.460 4.460 3.960 0.500 25469 11561 1 20 . 1 1 50 50 LYS C C 50 175.528 175.528 177.326 -1.798 25469 11562 1 20 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.382 -0.093 25469 11563 1 20 . 1 1 50 50 LYS CB C 50 30.478 30.478 32.316 -1.837 25469 11564 1 20 . 1 1 50 50 LYS H H 50 7.926 7.926 8.096 -0.170 25469 11565 1 20 . 1 1 51 51 GLY N N 51 114.868 114.868 113.480 1.388 25469 11566 1 20 . 1 1 51 51 GLY C C 51 174.253 174.253 173.043 1.210 25469 11567 1 20 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.023 -0.503 25469 11568 1 20 . 1 1 51 51 GLY H H 51 8.644 8.644 8.571 0.073 25469 11569 1 20 . 1 1 52 52 PHE N N 52 112.790 112.790 114.934 -2.144 25469 11570 1 20 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.589 -0.341 25469 11571 1 20 . 1 1 52 52 PHE C C 52 171.606 171.606 172.870 -1.264 25469 11572 1 20 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.483 0.747 25469 11573 1 20 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.305 -0.260 25469 11574 1 20 . 1 1 52 52 PHE H H 52 7.005 7.005 7.215 -0.210 25469 11575 1 20 . 1 1 53 53 ALA N N 53 119.858 119.858 119.202 0.656 25469 11576 1 20 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.830 0.005 25469 11577 1 20 . 1 1 53 53 ALA C C 53 173.030 173.030 174.584 -1.554 25469 11578 1 20 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.147 -0.801 25469 11579 1 20 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.413 2.321 25469 11580 1 20 . 1 1 53 53 ALA H H 53 8.724 8.724 8.497 0.227 25469 11581 1 20 . 1 1 54 54 PHE N N 54 112.158 112.158 116.299 -4.141 25469 11582 1 20 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.653 -0.073 25469 11583 1 20 . 1 1 54 54 PHE C C 54 175.765 175.765 174.105 1.660 25469 11584 1 20 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.105 -0.501 25469 11585 1 20 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.521 -0.227 25469 11586 1 20 . 1 1 54 54 PHE H H 54 8.764 8.764 9.075 -0.311 25469 11587 1 20 . 1 1 55 55 VAL N N 55 118.628 118.628 119.695 -1.067 25469 11588 1 20 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.666 -0.454 25469 11589 1 20 . 1 1 55 55 VAL C C 55 172.807 172.807 173.746 -0.939 25469 11590 1 20 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.450 1.427 25469 11591 1 20 . 1 1 55 55 VAL CB C 55 34.953 34.953 36.081 -1.128 25469 11592 1 20 . 1 1 55 55 VAL H H 55 8.310 8.310 8.981 -0.671 25469 11593 1 20 . 1 1 56 56 GLN N N 56 128.402 128.402 122.755 5.647 25469 11594 1 20 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.678 -0.113 25469 11595 1 20 . 1 1 56 56 GLN C C 56 173.894 173.894 173.940 -0.046 25469 11596 1 20 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.953 0.260 25469 11597 1 20 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.275 -0.169 25469 11598 1 20 . 1 1 56 56 GLN H H 56 9.253 9.253 8.589 0.664 25469 11599 1 20 . 1 1 57 57 TYR N N 57 127.617 127.617 123.896 3.721 25469 11600 1 20 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.444 -0.163 25469 11601 1 20 . 1 1 57 57 TYR C C 57 175.610 175.610 176.869 -1.259 25469 11602 1 20 . 1 1 57 57 TYR CA C 57 58.691 58.691 55.961 2.730 25469 11603 1 20 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.250 -1.181 25469 11604 1 20 . 1 1 57 57 TYR H H 57 8.919 8.919 9.033 -0.114 25469 11605 1 20 . 1 1 58 58 VAL N N 58 116.705 116.705 119.229 -2.524 25469 11606 1 20 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.884 0.229 25469 11607 1 20 . 1 1 58 58 VAL C C 58 175.860 175.860 175.994 -0.134 25469 11608 1 20 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.626 -0.597 25469 11609 1 20 . 1 1 58 58 VAL CB C 58 33.049 33.049 31.843 1.206 25469 11610 1 20 . 1 1 58 58 VAL H H 58 9.458 9.458 8.771 0.687 25469 11611 1 20 . 1 1 59 59 ASN N N 59 112.563 112.563 113.828 -1.265 25469 11612 1 20 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.905 0.245 25469 11613 1 20 . 1 1 59 59 ASN C C 59 174.483 174.483 174.889 -0.406 25469 11614 1 20 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.359 -0.407 25469 11615 1 20 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.207 1.970 25469 11616 1 20 . 1 1 59 59 ASN H H 59 7.230 7.230 7.484 -0.254 25469 11617 1 20 . 1 1 60 60 GLU N N 60 124.320 124.320 119.895 4.425 25469 11618 1 20 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.195 0.120 25469 11619 1 20 . 1 1 60 60 GLU C C 60 178.202 178.202 177.804 0.398 25469 11620 1 20 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.557 -0.776 25469 11621 1 20 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.713 0.665 25469 11622 1 20 . 1 1 60 60 GLU H H 60 8.807 8.807 8.924 -0.117 25469 11623 1 20 . 1 1 61 61 ARG N N 61 118.347 118.347 118.956 -0.609 25469 11624 1 20 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.046 -0.056 25469 11625 1 20 . 1 1 61 61 ARG C C 61 179.341 179.341 178.505 0.836 25469 11626 1 20 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.521 0.946 25469 11627 1 20 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.770 -0.369 25469 11628 1 20 . 1 1 61 61 ARG H H 61 8.620 8.620 8.279 0.341 25469 11629 1 20 . 1 1 62 62 ASN N N 62 118.085 118.085 117.364 0.721 25469 11630 1 20 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.308 -0.031 25469 11631 1 20 . 1 1 62 62 ASN C C 62 174.852 174.852 176.562 -1.710 25469 11632 1 20 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.273 0.193 25469 11633 1 20 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.150 0.857 25469 11634 1 20 . 1 1 62 62 ASN H H 62 7.781 7.781 7.977 -0.196 25469 11635 1 20 . 1 1 63 63 ALA N N 63 119.580 119.580 122.703 -3.123 25469 11636 1 20 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.439 -0.691 25469 11637 1 20 . 1 1 63 63 ALA C C 63 178.862 178.862 179.383 -0.521 25469 11638 1 20 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.747 0.214 25469 11639 1 20 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.724 -0.183 25469 11640 1 20 . 1 1 63 63 ALA H H 63 6.775 6.775 7.284 -0.509 25469 11641 1 20 . 1 1 64 64 ARG N N 64 114.991 114.991 118.369 -3.378 25469 11642 1 20 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.158 -0.318 25469 11643 1 20 . 1 1 64 64 ARG C C 64 179.776 179.776 178.639 1.137 25469 11644 1 20 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.861 2.321 25469 11645 1 20 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.617 -0.371 25469 11646 1 20 . 1 1 64 64 ARG H H 64 8.737 8.737 8.172 0.565 25469 11647 1 20 . 1 1 65 65 ALA N N 65 123.698 123.698 121.437 2.261 25469 11648 1 20 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.287 -0.160 25469 11649 1 20 . 1 1 65 65 ALA C C 65 179.561 179.561 178.583 0.978 25469 11650 1 20 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.554 0.394 25469 11651 1 20 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.340 -0.449 25469 11652 1 20 . 1 1 65 65 ALA H H 65 7.820 7.820 7.562 0.258 25469 11653 1 20 . 1 1 66 66 ALA N N 66 123.811 123.811 120.090 3.721 25469 11654 1 20 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.701 -1.634 25469 11655 1 20 . 1 1 66 66 ALA C C 66 179.260 179.260 179.213 0.047 25469 11656 1 20 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.425 -0.116 25469 11657 1 20 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.134 0.175 25469 11658 1 20 . 1 1 66 66 ALA H H 66 7.538 7.538 7.508 0.030 25469 11659 1 20 . 1 1 67 67 VAL N N 67 116.571 116.571 118.297 -1.726 25469 11660 1 20 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.695 -0.340 25469 11661 1 20 . 1 1 67 67 VAL C C 67 177.744 177.744 177.527 0.217 25469 11662 1 20 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.788 -0.258 25469 11663 1 20 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.667 0.300 25469 11664 1 20 . 1 1 67 67 VAL H H 67 7.612 7.612 8.322 -0.710 25469 11665 1 20 . 1 1 68 68 ALA N N 68 118.239 118.239 120.363 -2.124 25469 11666 1 20 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.358 -0.237 25469 11667 1 20 . 1 1 68 68 ALA C C 68 180.749 180.749 178.164 2.585 25469 11668 1 20 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.481 0.871 25469 11669 1 20 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.659 -0.562 25469 11670 1 20 . 1 1 68 68 ALA H H 68 7.549 7.549 7.523 0.026 25469 11671 1 20 . 1 1 69 69 GLY N N 69 103.748 103.748 105.244 -1.496 25469 11672 1 20 . 1 1 69 69 GLY C C 69 175.627 175.627 174.910 0.717 25469 11673 1 20 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.066 1.020 25469 11674 1 20 . 1 1 69 69 GLY H H 69 8.135 8.135 7.317 0.818 25469 11675 1 20 . 1 1 70 70 GLU N N 70 114.571 114.571 116.630 -2.059 25469 11676 1 20 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.357 0.275 25469 11677 1 20 . 1 1 70 70 GLU C C 70 176.392 176.392 174.951 1.441 25469 11678 1 20 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.971 -0.773 25469 11679 1 20 . 1 1 70 70 GLU CB C 70 31.372 31.372 32.058 -0.686 25469 11680 1 20 . 1 1 70 70 GLU H H 70 7.653 7.653 7.620 0.033 25469 11681 1 20 . 1 1 71 71 ASP N N 71 118.127 118.127 121.097 -2.970 25469 11682 1 20 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.356 -0.071 25469 11683 1 20 . 1 1 71 71 ASP C C 71 178.699 178.699 177.023 1.676 25469 11684 1 20 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.017 1.525 25469 11685 1 20 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.201 1.169 25469 11686 1 20 . 1 1 71 71 ASP H H 71 8.026 8.026 7.589 0.437 25469 11687 1 20 . 1 1 72 72 GLY N N 72 114.353 114.353 113.723 0.630 25469 11688 1 20 . 1 1 72 72 GLY C C 72 173.792 173.792 174.357 -0.565 25469 11689 1 20 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.136 0.622 25469 11690 1 20 . 1 1 72 72 GLY H H 72 8.292 8.292 8.158 0.134 25469 11691 1 20 . 1 1 73 73 ARG N N 73 121.996 121.996 118.764 3.232 25469 11692 1 20 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.429 -0.243 25469 11693 1 20 . 1 1 73 73 ARG C C 73 175.188 175.188 174.728 0.460 25469 11694 1 20 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.914 1.562 25469 11695 1 20 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.226 0.093 25469 11696 1 20 . 1 1 73 73 ARG H H 73 7.981 7.981 7.913 0.068 25469 11697 1 20 . 1 1 74 74 MET N N 74 125.120 125.120 120.574 4.546 25469 11698 1 20 . 1 1 74 74 MET HA H 74 4.795 4.795 4.672 0.123 25469 11699 1 20 . 1 1 74 74 MET C C 74 175.727 175.727 174.832 0.895 25469 11700 1 20 . 1 1 74 74 MET CA C 74 55.054 55.054 54.715 0.339 25469 11701 1 20 . 1 1 74 74 MET CB C 74 33.076 33.076 34.343 -1.267 25469 11702 1 20 . 1 1 74 74 MET H H 74 8.710 8.710 8.338 0.372 25469 11703 1 20 . 1 1 75 75 ILE N N 75 127.530 127.530 125.779 1.751 25469 11704 1 20 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.424 -0.037 25469 11705 1 20 . 1 1 75 75 ILE C C 75 175.277 175.277 175.620 -0.343 25469 11706 1 20 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.600 -0.869 25469 11707 1 20 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.372 -0.965 25469 11708 1 20 . 1 1 75 75 ILE H H 75 8.583 8.583 8.766 -0.183 25469 11709 1 20 . 1 1 76 76 ALA N N 76 132.166 132.166 130.126 2.040 25469 11710 1 20 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.992 0.040 25469 11711 1 20 . 1 1 76 76 ALA C C 76 177.206 177.206 177.711 -0.505 25469 11712 1 20 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.249 -0.377 25469 11713 1 20 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.358 -0.110 25469 11714 1 20 . 1 1 76 76 ALA H H 76 9.540 9.540 9.043 0.497 25469 11715 1 20 . 1 1 77 77 GLY N N 77 101.685 101.685 102.797 -1.112 25469 11716 1 20 . 1 1 77 77 GLY C C 77 174.206 174.206 173.891 0.315 25469 11717 1 20 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.873 0.894 25469 11718 1 20 . 1 1 77 77 GLY H H 77 8.446 8.446 8.340 0.106 25469 11719 1 20 . 1 1 78 78 GLN N N 78 118.947 118.947 120.196 -1.249 25469 11720 1 20 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.655 0.076 25469 11721 1 20 . 1 1 78 78 GLN C C 78 174.047 174.047 174.833 -0.786 25469 11722 1 20 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.431 -0.170 25469 11723 1 20 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.650 0.454 25469 11724 1 20 . 1 1 78 78 GLN H H 78 7.708 7.708 8.108 -0.400 25469 11725 1 20 . 1 1 79 79 VAL N N 79 123.383 123.383 126.978 -3.595 25469 11726 1 20 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.451 -0.437 25469 11727 1 20 . 1 1 79 79 VAL C C 79 176.348 176.348 176.331 0.017 25469 11728 1 20 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.653 -0.985 25469 11729 1 20 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.277 -0.148 25469 11730 1 20 . 1 1 79 79 VAL H H 79 8.570 8.570 8.537 0.033 25469 11731 1 20 . 1 1 80 80 LEU N N 80 128.544 128.544 127.164 1.380 25469 11732 1 20 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.707 -0.399 25469 11733 1 20 . 1 1 80 80 LEU C C 80 176.522 176.522 176.407 0.115 25469 11734 1 20 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.403 2.498 25469 11735 1 20 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.848 -0.949 25469 11736 1 20 . 1 1 80 80 LEU H H 80 9.002 9.002 8.511 0.491 25469 11737 1 20 . 1 1 81 81 ASP N N 81 124.135 124.135 121.867 2.268 25469 11738 1 20 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.292 -0.071 25469 11739 1 20 . 1 1 81 81 ASP C C 81 174.660 174.660 174.943 -0.283 25469 11740 1 20 . 1 1 81 81 ASP CA C 81 52.987 52.987 54.041 -1.054 25469 11741 1 20 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.423 0.344 25469 11742 1 20 . 1 1 81 81 ASP H H 81 7.718 7.718 8.343 -0.625 25469 11743 1 20 . 1 1 82 82 ILE N N 82 123.344 123.344 123.170 0.174 25469 11744 1 20 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.722 0.675 25469 11745 1 20 . 1 1 82 82 ILE C C 82 174.521 174.521 174.821 -0.300 25469 11746 1 20 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.751 -0.617 25469 11747 1 20 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.688 0.279 25469 11748 1 20 . 1 1 82 82 ILE H H 82 9.071 9.071 8.849 0.222 25469 11749 1 20 . 1 1 83 83 ASN N N 83 116.447 116.447 122.372 -5.925 25469 11750 1 20 . 1 1 83 83 ASN HA H 83 4.842 4.842 4.990 -0.148 25469 11751 1 20 . 1 1 83 83 ASN C C 83 174.566 174.566 173.813 0.753 25469 11752 1 20 . 1 1 83 83 ASN CA C 83 53.128 53.128 52.152 0.976 25469 11753 1 20 . 1 1 83 83 ASN CB C 83 43.074 43.074 42.588 0.486 25469 11754 1 20 . 1 1 83 83 ASN H H 83 8.494 8.494 8.770 -0.276 25469 11755 1 20 . 1 1 84 84 LEU N N 84 123.786 123.786 124.457 -0.671 25469 11756 1 20 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.353 0.367 25469 11757 1 20 . 1 1 84 84 LEU C C 84 180.969 180.969 178.135 2.834 25469 11758 1 20 . 1 1 84 84 LEU CA C 84 56.357 56.357 55.867 0.490 25469 11759 1 20 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.230 -0.911 25469 11760 1 20 . 1 1 84 84 LEU H H 84 9.414 9.414 8.837 0.577 25469 11761 1 20 . 1 1 85 85 ALA N N 85 127.577 127.577 129.906 -2.329 25469 11762 1 20 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.277 -0.229 25469 11763 1 20 . 1 1 85 85 ALA C C 85 177.932 177.932 176.709 1.223 25469 11764 1 20 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.488 1.861 25469 11765 1 20 . 1 1 85 85 ALA CB C 85 17.987 17.987 19.079 -1.093 25469 11766 1 20 . 1 1 85 85 ALA H H 85 9.279 9.279 8.246 1.033 25469 11767 1 20 . 1 1 86 86 ALA N N 86 116.071 116.071 117.297 -1.226 25469 11768 1 20 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.404 0.007 25469 11769 1 20 . 1 1 86 86 ALA C C 86 176.153 176.153 176.657 -0.504 25469 11770 1 20 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.040 -0.311 25469 11771 1 20 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.679 -0.369 25469 11772 1 20 . 1 1 86 86 ALA H H 86 8.687 8.687 8.025 0.662 25469 11773 1 20 . 1 1 87 87 GLU N N 87 118.959 118.959 119.546 -0.587 25469 11774 1 20 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.644 0.092 25469 11775 1 20 . 1 1 87 87 GLU C C 87 171.677 171.677 173.923 -2.246 25469 11776 1 20 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.423 -0.251 25469 11777 1 20 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.255 -0.282 25469 11778 1 20 . 1 1 87 87 GLU H H 87 7.901 7.901 7.872 0.029 25469 11779 1 20 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.451 -0.108 25469 11780 1 20 . 1 1 88 88 PRO C C 88 177.303 177.303 175.735 1.568 25469 11781 1 20 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.190 -0.272 25469 11782 1 20 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.571 -0.672 25469 11783 1 20 . 1 1 89 89 LYS N N 89 121.298 121.298 121.438 -0.140 25469 11784 1 20 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.489 -0.262 25469 11785 1 20 . 1 1 89 89 LYS C C 89 177.690 177.690 176.364 1.326 25469 11786 1 20 . 1 1 89 89 LYS CA C 89 56.802 56.802 55.846 0.956 25469 11787 1 20 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.981 0.523 25469 11788 1 20 . 1 1 89 89 LYS H H 89 7.973 7.973 8.488 -0.515 25469 11789 1 20 . 1 1 90 90 VAL N N 90 120.788 120.788 114.233 6.555 25469 11790 1 20 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.488 -0.559 25469 11791 1 20 . 1 1 90 90 VAL C C 90 176.170 176.170 176.377 -0.207 25469 11792 1 20 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.056 1.161 25469 11793 1 20 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.300 -0.954 25469 11794 1 20 . 1 1 90 90 VAL H H 90 8.216 8.216 8.317 -0.101 25469 11795 1 20 . 1 1 91 91 ASN N N 91 119.438 119.438 118.758 0.680 25469 11796 1 20 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.600 0.059 25469 11797 1 20 . 1 1 91 91 ASN C C 91 175.173 175.173 175.189 -0.016 25469 11798 1 20 . 1 1 91 91 ASN CA C 91 53.037 53.037 54.321 -1.284 25469 11799 1 20 . 1 1 91 91 ASN CB C 91 38.167 38.167 38.406 -0.239 25469 11800 1 20 . 1 1 91 91 ASN H H 91 8.451 8.451 8.676 -0.225 25469 11801 1 20 . 1 1 92 92 ARG N N 92 120.958 120.958 120.177 0.781 25469 11802 1 20 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.417 -0.180 25469 11803 1 20 . 1 1 92 92 ARG C C 92 177.002 177.002 177.251 -0.249 25469 11804 1 20 . 1 1 92 92 ARG CA C 92 56.644 56.644 57.135 -0.491 25469 11805 1 20 . 1 1 92 92 ARG CB C 92 30.526 30.526 31.006 -0.480 25469 11806 1 20 . 1 1 92 92 ARG H H 92 7.978 7.978 7.595 0.383 25469 11807 1 20 . 1 1 93 93 GLY N N 93 110.275 110.275 108.034 2.241 25469 11808 1 20 . 1 1 93 93 GLY C C 93 174.246 174.246 174.319 -0.073 25469 11809 1 20 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.997 -0.613 25469 11810 1 20 . 1 1 93 93 GLY H H 93 8.604 8.604 8.440 0.164 25469 11811 1 20 . 1 1 94 94 LYS N N 94 120.750 120.750 121.917 -1.167 25469 11812 1 20 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.525 -0.228 25469 11813 1 20 . 1 1 94 94 LYS C C 94 176.525 176.525 175.088 1.437 25469 11814 1 20 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.060 -0.016 25469 11815 1 20 . 1 1 94 94 LYS CB C 94 33.025 33.025 34.547 -1.522 25469 11816 1 20 . 1 1 94 94 LYS H H 94 8.113 8.113 8.618 -0.505 25469 11817 1 20 . 1 1 95 95 ALA N N 95 124.912 124.912 120.865 4.047 25469 11818 1 20 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.715 -0.416 25469 11819 1 20 . 1 1 95 95 ALA C C 95 178.325 178.325 176.958 1.367 25469 11820 1 20 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.819 0.933 25469 11821 1 20 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.618 -1.478 25469 11822 1 20 . 1 1 95 95 ALA H H 95 8.367 8.367 7.678 0.689 25469 11823 1 20 . 1 1 96 96 GLY N N 96 108.328 108.328 106.223 2.105 25469 11824 1 20 . 1 1 96 96 GLY C C 96 174.096 174.096 174.915 -0.819 25469 11825 1 20 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.612 -0.371 25469 11826 1 20 . 1 1 96 96 GLY H H 96 8.390 8.390 8.262 0.128 25469 11827 1 20 . 1 1 97 97 VAL N N 97 119.774 119.774 119.665 0.109 25469 11828 1 20 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.282 -0.205 25469 11829 1 20 . 1 1 97 97 VAL C C 97 176.156 176.156 175.164 0.992 25469 11830 1 20 . 1 1 97 97 VAL CA C 97 62.299 62.299 60.968 1.331 25469 11831 1 20 . 1 1 97 97 VAL CB C 97 32.854 32.854 32.897 -0.043 25469 11832 1 20 . 1 1 97 97 VAL H H 97 7.925 7.925 7.413 0.512 25469 11833 1 20 . 1 1 98 98 LYS N N 98 126.024 126.024 125.478 0.546 25469 11834 1 20 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.587 -0.261 25469 11835 1 20 . 1 1 98 98 LYS C C 98 176.427 176.427 176.176 0.251 25469 11836 1 20 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.679 0.422 25469 11837 1 20 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.580 0.481 25469 11838 1 20 . 1 1 98 98 LYS H H 98 8.473 8.473 8.567 -0.094 25469 11839 1 20 . 1 1 99 99 ARG N N 99 123.644 123.644 119.768 3.876 25469 11840 1 20 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.539 -0.160 25469 11841 1 20 . 1 1 99 99 ARG C C 99 176.231 176.231 176.824 -0.593 25469 11842 1 20 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.168 0.764 25469 11843 1 20 . 1 1 99 99 ARG CB C 99 31.267 31.267 31.988 -0.721 25469 11844 1 20 . 1 1 99 99 ARG H H 99 8.464 8.464 7.673 0.791 25469 11845 1 20 . 1 1 100 100 SER N N 100 117.863 117.863 118.095 -0.232 25469 11846 1 20 . 1 1 100 100 SER HA H 100 4.449 4.449 4.351 0.098 25469 11847 1 20 . 1 1 100 100 SER C C 100 174.556 174.556 174.208 0.348 25469 11848 1 20 . 1 1 100 100 SER CA C 100 57.985 57.985 59.425 -1.440 25469 11849 1 20 . 1 1 100 100 SER CB C 100 64.167 64.167 63.187 0.980 25469 11850 1 20 . 1 1 100 100 SER H H 100 8.516 8.516 9.017 -0.501 25469 11851 1 20 . 1 1 101 101 ALA N N 101 126.048 126.048 121.857 4.191 25469 11852 1 20 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.114 0.143 25469 11853 1 20 . 1 1 101 101 ALA C C 101 178.047 178.047 176.964 1.083 25469 11854 1 20 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.237 0.111 25469 11855 1 20 . 1 1 101 101 ALA CB C 101 18.945 18.945 18.038 0.907 25469 11856 1 20 . 1 1 101 101 ALA H H 101 8.538 8.538 8.115 0.423 25469 11857 1 20 . 1 1 102 102 ALA N N 102 121.566 121.566 119.466 2.100 25469 11858 1 20 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.608 -0.383 25469 11859 1 20 . 1 1 102 102 ALA C C 102 178.254 178.254 178.033 0.221 25469 11860 1 20 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.140 0.905 25469 11861 1 20 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.484 -0.441 25469 11862 1 20 . 1 1 102 102 ALA H H 102 8.212 8.212 8.118 0.094 25469 11863 1 20 . 1 1 103 103 GLU N N 103 118.735 118.735 117.499 1.236 25469 11864 1 20 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.173 0.028 25469 11865 1 20 . 1 1 103 103 GLU C C 103 176.516 176.516 176.549 -0.033 25469 11866 1 20 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.552 -1.896 25469 11867 1 20 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.064 1.163 25469 11868 1 20 . 1 1 103 103 GLU H H 103 8.071 8.071 8.794 -0.723 25469 11869 1 20 . 1 1 104 104 MET N N 104 120.106 120.106 118.045 2.061 25469 11870 1 20 . 1 1 104 104 MET HA H 104 4.326 4.326 4.437 -0.111 25469 11871 1 20 . 1 1 104 104 MET C C 104 175.862 175.862 175.506 0.356 25469 11872 1 20 . 1 1 104 104 MET CA C 104 55.939 55.939 55.446 0.493 25469 11873 1 20 . 1 1 104 104 MET CB C 104 32.999 32.999 32.644 0.355 25469 11874 1 20 . 1 1 104 104 MET H H 104 8.073 8.073 7.672 0.401 25469 11875 1 20 . 1 1 105 105 TYR N N 105 120.285 120.285 116.868 3.417 25469 11876 1 20 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.679 -0.026 25469 11877 1 20 . 1 1 105 105 TYR C C 105 175.319 175.319 176.297 -0.978 25469 11878 1 20 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.893 -0.298 25469 11879 1 20 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.453 -0.514 25469 11880 1 20 . 1 1 105 105 TYR H H 105 8.126 8.126 7.828 0.298 25469 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 100 2.969 -0.561 2.930 25469 2 1 1 "Average Difference" HA 112 0.347 0.094 0.336 25469 3 1 1 "Average Difference" C 103 1.448 -0.391 1.401 25469 4 1 1 "Average Difference" CA 103 1.295 -0.330 1.258 25469 5 1 1 "Average Difference" CB 94 1.190 0.380 1.134 25469 6 1 1 "Average Difference" HN 100 0.471 -0.039 0.472 25469 7 1 2 "Average Difference" N 100 3.052 -0.615 3.004 25469 8 1 2 "Average Difference" HA 112 0.351 0.099 0.338 25469 9 1 2 "Average Difference" C 103 1.430 -0.399 1.380 25469 10 1 2 "Average Difference" CA 103 1.278 -0.390 1.223 25469 11 1 2 "Average Difference" CB 94 1.190 0.348 1.144 25469 12 1 2 "Average Difference" HN 100 0.477 -0.033 0.478 25469 13 1 3 "Average Difference" N 100 3.221 -0.738 3.151 25469 14 1 3 "Average Difference" HA 112 0.358 0.109 0.342 25469 15 1 3 "Average Difference" C 103 1.488 -0.447 1.426 25469 16 1 3 "Average Difference" CA 103 1.276 -0.360 1.230 25469 17 1 3 "Average Difference" CB 94 1.243 0.425 1.174 25469 18 1 3 "Average Difference" HN 100 0.464 -0.034 0.465 25469 19 1 4 "Average Difference" N 100 3.140 -0.622 3.093 25469 20 1 4 "Average Difference" HA 112 0.353 0.087 0.343 25469 21 1 4 "Average Difference" C 103 1.503 -0.453 1.440 25469 22 1 4 "Average Difference" CA 103 1.289 -0.358 1.244 25469 23 1 4 "Average Difference" CB 94 1.178 0.337 1.135 25469 24 1 4 "Average Difference" HN 100 0.451 -0.051 0.451 25469 25 1 5 "Average Difference" N 100 3.094 -0.722 3.024 25469 26 1 5 "Average Difference" HA 112 0.357 0.092 0.346 25469 27 1 5 "Average Difference" C 103 1.519 -0.429 1.464 25469 28 1 5 "Average Difference" CA 103 1.301 -0.363 1.256 25469 29 1 5 "Average Difference" CB 94 1.256 0.405 1.195 25469 30 1 5 "Average Difference" HN 100 0.484 -0.044 0.484 25469 31 1 6 "Average Difference" N 100 3.015 -0.628 2.963 25469 32 1 6 "Average Difference" HA 112 0.346 0.107 0.331 25469 33 1 6 "Average Difference" C 103 1.426 -0.390 1.378 25469 34 1 6 "Average Difference" CA 103 1.281 -0.386 1.228 25469 35 1 6 "Average Difference" CB 94 1.165 0.356 1.116 25469 36 1 6 "Average Difference" HN 100 0.478 -0.025 0.480 25469 37 1 7 "Average Difference" N 100 3.183 -0.592 3.143 25469 38 1 7 "Average Difference" HA 112 0.353 0.106 0.339 25469 39 1 7 "Average Difference" C 103 1.404 -0.376 1.359 25469 40 1 7 "Average Difference" CA 103 1.269 -0.378 1.217 25469 41 1 7 "Average Difference" CB 94 1.072 0.343 1.021 25469 42 1 7 "Average Difference" HN 100 0.463 -0.037 0.463 25469 43 1 8 "Average Difference" N 100 3.035 -0.564 2.998 25469 44 1 8 "Average Difference" HA 112 0.351 0.105 0.336 25469 45 1 8 "Average Difference" C 103 1.494 -0.413 1.443 25469 46 1 8 "Average Difference" CA 103 1.263 -0.378 1.212 25469 47 1 8 "Average Difference" CB 94 1.187 0.403 1.122 25469 48 1 8 "Average Difference" HN 100 0.464 -0.062 0.462 25469 49 1 9 "Average Difference" N 100 3.008 -0.733 2.932 25469 50 1 9 "Average Difference" HA 112 0.349 0.094 0.337 25469 51 1 9 "Average Difference" C 103 1.488 -0.413 1.436 25469 52 1 9 "Average Difference" CA 103 1.302 -0.365 1.256 25469 53 1 9 "Average Difference" CB 94 1.161 0.348 1.113 25469 54 1 9 "Average Difference" HN 100 0.481 -0.033 0.482 25469 55 1 10 "Average Difference" N 100 3.323 -0.842 3.231 25469 56 1 10 "Average Difference" HA 112 0.356 0.103 0.342 25469 57 1 10 "Average Difference" C 103 1.485 -0.459 1.419 25469 58 1 10 "Average Difference" CA 103 1.269 -0.387 1.214 25469 59 1 10 "Average Difference" CB 94 1.189 0.338 1.146 25469 60 1 10 "Average Difference" HN 100 0.462 -0.047 0.462 25469 61 1 11 "Average Difference" N 100 3.130 -0.699 3.066 25469 62 1 11 "Average Difference" HA 112 0.353 0.112 0.337 25469 63 1 11 "Average Difference" C 103 1.506 -0.421 1.453 25469 64 1 11 "Average Difference" CA 103 1.285 -0.384 1.232 25469 65 1 11 "Average Difference" CB 94 1.221 0.399 1.161 25469 66 1 11 "Average Difference" HN 100 0.477 -0.020 0.479 25469 67 1 12 "Average Difference" N 100 3.033 -0.720 2.961 25469 68 1 12 "Average Difference" HA 112 0.345 0.086 0.335 25469 69 1 12 "Average Difference" C 103 1.428 -0.335 1.395 25469 70 1 12 "Average Difference" CA 103 1.303 -0.336 1.265 25469 71 1 12 "Average Difference" CB 94 1.136 0.296 1.103 25469 72 1 12 "Average Difference" HN 100 0.459 -0.045 0.459 25469 73 1 13 "Average Difference" N 100 3.100 -0.623 3.053 25469 74 1 13 "Average Difference" HA 112 0.358 0.098 0.346 25469 75 1 13 "Average Difference" C 103 1.511 -0.470 1.443 25469 76 1 13 "Average Difference" CA 103 1.267 -0.376 1.216 25469 77 1 13 "Average Difference" CB 94 1.148 0.382 1.089 25469 78 1 13 "Average Difference" HN 100 0.472 -0.059 0.470 25469 79 1 14 "Average Difference" N 100 3.019 -0.619 2.970 25469 80 1 14 "Average Difference" HA 112 0.351 0.089 0.341 25469 81 1 14 "Average Difference" C 103 1.473 -0.420 1.419 25469 82 1 14 "Average Difference" CA 103 1.306 -0.387 1.253 25469 83 1 14 "Average Difference" CB 94 1.222 0.378 1.168 25469 84 1 14 "Average Difference" HN 100 0.471 -0.050 0.471 25469 85 1 15 "Average Difference" N 100 3.122 -0.763 3.042 25469 86 1 15 "Average Difference" HA 112 0.345 0.084 0.336 25469 87 1 15 "Average Difference" C 103 1.488 -0.449 1.425 25469 88 1 15 "Average Difference" CA 103 1.311 -0.335 1.273 25469 89 1 15 "Average Difference" CB 94 1.238 0.405 1.177 25469 90 1 15 "Average Difference" HN 100 0.473 -0.046 0.473 25469 91 1 16 "Average Difference" N 100 3.253 -0.727 3.187 25469 92 1 16 "Average Difference" HA 112 0.350 0.095 0.338 25469 93 1 16 "Average Difference" C 103 1.411 -0.383 1.365 25469 94 1 16 "Average Difference" CA 103 1.237 -0.354 1.191 25469 95 1 16 "Average Difference" CB 94 1.078 0.325 1.034 25469 96 1 16 "Average Difference" HN 100 0.483 -0.043 0.484 25469 97 1 17 "Average Difference" N 100 3.048 -0.512 3.019 25469 98 1 17 "Average Difference" HA 112 0.358 0.093 0.347 25469 99 1 17 "Average Difference" C 103 1.538 -0.486 1.467 25469 100 1 17 "Average Difference" CA 103 1.291 -0.361 1.245 25469 101 1 17 "Average Difference" CB 94 1.208 0.392 1.148 25469 102 1 17 "Average Difference" HN 100 0.461 -0.050 0.461 25469 103 1 18 "Average Difference" N 100 3.019 -0.651 2.963 25469 104 1 18 "Average Difference" HA 112 0.348 0.086 0.339 25469 105 1 18 "Average Difference" C 103 1.451 -0.409 1.399 25469 106 1 18 "Average Difference" CA 103 1.258 -0.310 1.225 25469 107 1 18 "Average Difference" CB 94 1.139 0.323 1.098 25469 108 1 18 "Average Difference" HN 100 0.468 -0.057 0.467 25469 109 1 19 "Average Difference" N 100 3.151 -0.609 3.108 25469 110 1 19 "Average Difference" HA 112 0.361 0.091 0.351 25469 111 1 19 "Average Difference" C 103 1.522 -0.407 1.473 25469 112 1 19 "Average Difference" CA 103 1.305 -0.369 1.258 25469 113 1 19 "Average Difference" CB 94 1.159 0.401 1.093 25469 114 1 19 "Average Difference" HN 100 0.470 -0.034 0.471 25469 115 1 20 "Average Difference" N 100 3.118 -0.641 3.067 25469 116 1 20 "Average Difference" HA 112 0.363 0.093 0.352 25469 117 1 20 "Average Difference" C 103 1.496 -0.431 1.440 25469 118 1 20 "Average Difference" CA 103 1.290 -0.391 1.235 25469 119 1 20 "Average Difference" CB 94 1.181 0.389 1.121 25469 120 1 20 "Average Difference" HN 100 0.497 -0.013 0.499 25469 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 25469 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 SER HA H 3 4.553 4.553 4.508 0.045 25469 2 1 . 1 1 3 3 SER C C 3 173.408 173.408 175.255 -1.847 25469 3 1 . 1 1 3 3 SER CA C 3 58.273 58.273 57.278 0.995 25469 4 1 . 1 1 3 3 SER CB C 3 63.940 63.940 64.242 -0.302 25469 5 1 . 1 1 4 4 ASN N N 4 120.235 120.235 119.717 0.518 25469 6 1 . 1 1 4 4 ASN HA H 4 5.217 5.217 4.901 0.316 25469 7 1 . 1 1 4 4 ASN C C 4 176.243 176.243 174.576 1.667 25469 8 1 . 1 1 4 4 ASN CA C 4 53.044 53.044 53.361 -0.317 25469 9 1 . 1 1 4 4 ASN CB C 4 38.732 38.732 38.648 0.084 25469 10 1 . 1 1 4 4 ASN H H 4 8.774 8.774 8.646 0.128 25469 11 1 . 1 1 5 5 VAL N N 5 122.554 122.554 120.279 2.275 25469 12 1 . 1 1 5 5 VAL HA H 5 3.769 3.769 4.222 -0.453 25469 13 1 . 1 1 5 5 VAL C C 5 177.223 177.223 175.356 1.867 25469 14 1 . 1 1 5 5 VAL CA C 5 65.811 65.811 62.414 3.397 25469 15 1 . 1 1 5 5 VAL CB C 5 30.874 30.874 32.974 -2.101 25469 16 1 . 1 1 5 5 VAL H H 5 8.315 8.315 7.448 0.867 25469 17 1 . 1 1 6 6 THR N N 6 118.503 118.503 115.170 3.333 25469 18 1 . 1 1 6 6 THR HA H 6 4.678 4.678 4.456 0.222 25469 19 1 . 1 1 6 6 THR C C 6 174.350 174.350 173.445 0.905 25469 20 1 . 1 1 6 6 THR CA C 6 60.560 60.560 61.352 -0.792 25469 21 1 . 1 1 6 6 THR CB C 6 69.833 69.833 69.828 0.005 25469 22 1 . 1 1 6 6 THR H H 6 9.394 9.394 8.374 1.020 25469 23 1 . 1 1 7 7 ASN N N 7 120.872 120.872 119.428 1.444 25469 24 1 . 1 1 7 7 ASN HA H 7 4.556 4.556 4.612 -0.056 25469 25 1 . 1 1 7 7 ASN C C 7 176.866 176.866 174.357 2.509 25469 26 1 . 1 1 7 7 ASN CA C 7 51.897 51.897 52.665 -0.768 25469 27 1 . 1 1 7 7 ASN CB C 7 38.082 38.082 38.395 -0.312 25469 28 1 . 1 1 7 7 ASN H H 7 7.976 7.976 8.082 -0.106 25469 29 1 . 1 1 8 8 LYS N N 8 121.728 121.728 122.763 -1.035 25469 30 1 . 1 1 8 8 LYS HA H 8 4.256 4.256 4.543 -0.287 25469 31 1 . 1 1 8 8 LYS C C 8 180.142 180.142 175.859 4.283 25469 32 1 . 1 1 8 8 LYS CA C 8 58.200 58.200 56.008 2.192 25469 33 1 . 1 1 8 8 LYS CB C 8 32.292 32.292 34.914 -2.622 25469 34 1 . 1 1 8 8 LYS H H 8 8.572 8.572 8.092 0.480 25469 35 1 . 1 1 9 9 THR N N 9 110.858 110.858 112.058 -1.200 25469 36 1 . 1 1 9 9 THR HA H 9 4.463 4.463 4.443 0.020 25469 37 1 . 1 1 9 9 THR C C 9 174.485 174.485 173.727 0.758 25469 38 1 . 1 1 9 9 THR CA C 9 61.246 61.246 60.989 0.257 25469 39 1 . 1 1 9 9 THR CB C 9 69.039 69.039 69.254 -0.215 25469 40 1 . 1 1 9 9 THR H H 9 8.691 8.691 8.546 0.145 25469 41 1 . 1 1 10 10 ASP N N 10 121.014 121.014 124.009 -2.995 25469 42 1 . 1 1 10 10 ASP HA H 10 4.825 4.825 4.755 0.070 25469 43 1 . 1 1 10 10 ASP C C 10 173.946 173.946 176.496 -2.550 25469 44 1 . 1 1 10 10 ASP CA C 10 52.564 52.564 53.387 -0.823 25469 45 1 . 1 1 10 10 ASP CB C 10 39.601 39.601 41.305 -1.704 25469 46 1 . 1 1 10 10 ASP H H 10 7.907 7.907 7.904 0.003 25469 47 1 . 1 1 11 11 PRO HA H 11 4.155 4.155 4.372 -0.217 25469 48 1 . 1 1 11 11 PRO C C 11 178.421 178.421 176.654 1.767 25469 49 1 . 1 1 11 11 PRO CA C 11 66.241 66.241 64.649 1.592 25469 50 1 . 1 1 11 11 PRO CB C 11 32.198 32.198 32.103 0.095 25469 51 1 . 1 1 12 12 ARG N N 12 116.361 116.361 116.582 -0.221 25469 52 1 . 1 1 12 12 ARG HA H 12 4.092 4.092 4.491 -0.399 25469 53 1 . 1 1 12 12 ARG C C 12 180.446 180.446 177.003 3.443 25469 54 1 . 1 1 12 12 ARG CA C 12 59.535 59.535 57.637 1.898 25469 55 1 . 1 1 12 12 ARG CB C 12 29.250 29.250 31.054 -1.804 25469 56 1 . 1 1 12 12 ARG H H 12 7.940 7.940 8.199 -0.259 25469 57 1 . 1 1 13 13 SER N N 13 119.379 119.379 116.295 3.084 25469 58 1 . 1 1 13 13 SER HA H 13 4.052 4.052 4.437 -0.385 25469 59 1 . 1 1 13 13 SER C C 13 178.762 178.762 175.636 3.126 25469 60 1 . 1 1 13 13 SER CA C 13 61.529 61.529 61.555 -0.027 25469 61 1 . 1 1 13 13 SER CB C 13 61.778 61.778 63.390 -1.612 25469 62 1 . 1 1 13 13 SER H H 13 8.143 8.143 8.274 -0.131 25469 63 1 . 1 1 14 14 MET N N 14 120.327 120.327 115.250 5.077 25469 64 1 . 1 1 14 14 MET HA H 14 4.097 4.097 4.502 -0.405 25469 65 1 . 1 1 14 14 MET C C 14 178.576 178.576 175.256 3.320 25469 66 1 . 1 1 14 14 MET CA C 14 58.293 58.293 57.194 1.099 25469 67 1 . 1 1 14 14 MET CB C 14 31.813 31.813 33.056 -1.243 25469 68 1 . 1 1 14 14 MET H H 14 8.238 8.238 7.701 0.537 25469 69 1 . 1 1 15 15 ASN N N 15 115.378 115.378 116.761 -1.382 25469 70 1 . 1 1 15 15 ASN HA H 15 4.625 4.625 4.875 -0.250 25469 71 1 . 1 1 15 15 ASN C C 15 172.556 172.556 176.669 -4.113 25469 72 1 . 1 1 15 15 ASN CA C 15 54.029 54.029 54.482 -0.453 25469 73 1 . 1 1 15 15 ASN CB C 15 38.650 38.650 40.626 -1.976 25469 74 1 . 1 1 15 15 ASN H H 15 7.968 7.968 7.690 0.278 25469 75 1 . 1 1 16 16 SER N N 16 106.215 106.215 115.165 -8.950 25469 76 1 . 1 1 16 16 SER HA H 16 4.495 4.495 4.598 -0.103 25469 77 1 . 1 1 16 16 SER C C 16 172.121 172.121 173.738 -1.617 25469 78 1 . 1 1 16 16 SER CA C 16 56.785 56.785 59.205 -2.420 25469 79 1 . 1 1 16 16 SER CB C 16 63.428 63.428 63.586 -0.158 25469 80 1 . 1 1 16 16 SER H H 16 7.253 7.253 8.022 -0.769 25469 81 1 . 1 1 17 17 ARG N N 17 123.348 123.348 122.224 1.124 25469 82 1 . 1 1 17 17 ARG HA H 17 5.592 5.592 5.205 0.387 25469 83 1 . 1 1 17 17 ARG C C 17 174.491 174.491 174.855 -0.364 25469 84 1 . 1 1 17 17 ARG CA C 17 54.379 54.379 55.407 -1.028 25469 85 1 . 1 1 17 17 ARG CB C 17 32.909 32.909 33.331 -0.422 25469 86 1 . 1 1 17 17 ARG H H 17 7.405 7.405 7.579 -0.174 25469 87 1 . 1 1 18 18 VAL N N 18 122.328 122.328 122.920 -0.592 25469 88 1 . 1 1 18 18 VAL HA H 18 4.709 4.709 4.565 0.144 25469 89 1 . 1 1 18 18 VAL C C 18 174.863 174.863 174.166 0.697 25469 90 1 . 1 1 18 18 VAL CA C 18 60.657 60.657 61.384 -0.727 25469 91 1 . 1 1 18 18 VAL CB C 18 34.302 34.302 35.041 -0.739 25469 92 1 . 1 1 18 18 VAL H H 18 9.260 9.260 9.014 0.246 25469 93 1 . 1 1 19 19 PHE N N 19 126.010 126.010 128.783 -2.773 25469 94 1 . 1 1 19 19 PHE HA H 19 4.466 4.466 4.349 0.117 25469 95 1 . 1 1 19 19 PHE C C 19 171.967 171.967 173.615 -1.648 25469 96 1 . 1 1 19 19 PHE CA C 19 57.109 57.109 55.409 1.700 25469 97 1 . 1 1 19 19 PHE CB C 19 41.023 41.023 41.395 -0.372 25469 98 1 . 1 1 19 19 PHE H H 19 9.159 9.159 9.268 -0.109 25469 99 1 . 1 1 20 20 ILE N N 20 126.422 126.422 127.394 -0.972 25469 100 1 . 1 1 20 20 ILE HA H 20 3.861 3.861 4.093 -0.232 25469 101 1 . 1 1 20 20 ILE C C 20 173.050 173.050 174.410 -1.360 25469 102 1 . 1 1 20 20 ILE CA C 20 59.348 59.348 59.922 -0.574 25469 103 1 . 1 1 20 20 ILE CB C 20 39.200 39.200 38.113 1.087 25469 104 1 . 1 1 20 20 ILE H H 20 7.716 7.716 8.314 -0.598 25469 105 1 . 1 1 21 21 GLY N N 21 113.182 113.182 111.499 1.683 25469 106 1 . 1 1 21 21 GLY C C 21 173.769 173.769 173.887 -0.118 25469 107 1 . 1 1 21 21 GLY CA C 21 43.860 43.860 43.194 0.666 25469 108 1 . 1 1 21 21 GLY H H 21 8.550 8.550 7.954 0.596 25469 109 1 . 1 1 22 22 ASN N N 22 116.072 116.072 115.563 0.509 25469 110 1 . 1 1 22 22 ASN HA H 22 4.347 4.347 4.339 0.008 25469 111 1 . 1 1 22 22 ASN C C 22 174.205 174.205 173.931 0.274 25469 112 1 . 1 1 22 22 ASN CA C 22 53.433 53.433 53.732 -0.299 25469 113 1 . 1 1 22 22 ASN CB C 22 38.826 38.826 37.809 1.017 25469 114 1 . 1 1 22 22 ASN H H 22 7.291 7.291 8.605 -1.314 25469 115 1 . 1 1 23 23 LEU N N 23 118.873 118.873 118.778 0.095 25469 116 1 . 1 1 23 23 LEU HA H 23 3.928 3.928 4.667 -0.740 25469 117 1 . 1 1 23 23 LEU C C 23 176.551 176.551 176.249 0.302 25469 118 1 . 1 1 23 23 LEU CA C 23 52.665 52.665 53.416 -0.751 25469 119 1 . 1 1 23 23 LEU CB C 23 44.349 44.349 44.277 0.072 25469 120 1 . 1 1 23 23 LEU H H 23 7.279 7.279 7.921 -0.642 25469 121 1 . 1 1 24 24 ASN N N 24 124.260 124.260 123.248 1.012 25469 122 1 . 1 1 24 24 ASN HA H 24 4.759 4.759 4.477 0.282 25469 123 1 . 1 1 24 24 ASN C C 24 175.831 175.831 175.665 0.166 25469 124 1 . 1 1 24 24 ASN CA C 24 51.640 51.640 55.436 -3.796 25469 125 1 . 1 1 24 24 ASN CB C 24 35.555 35.555 38.527 -2.972 25469 126 1 . 1 1 24 24 ASN H H 24 9.075 9.075 8.798 0.277 25469 127 1 . 1 1 25 25 THR N N 25 118.101 118.101 106.829 11.272 25469 128 1 . 1 1 25 25 THR HA H 25 4.377 4.377 4.112 0.265 25469 129 1 . 1 1 25 25 THR C C 25 175.286 175.286 174.259 1.027 25469 130 1 . 1 1 25 25 THR CA C 25 63.324 63.324 63.751 -0.427 25469 131 1 . 1 1 25 25 THR CB C 25 67.439 67.439 67.450 -0.011 25469 132 1 . 1 1 25 25 THR H H 25 8.226 8.226 8.054 0.172 25469 133 1 . 1 1 26 26 LEU N N 26 121.285 121.285 118.377 2.908 25469 134 1 . 1 1 26 26 LEU HA H 26 4.311 4.311 4.393 -0.082 25469 135 1 . 1 1 26 26 LEU C C 26 178.244 178.244 177.262 0.982 25469 136 1 . 1 1 26 26 LEU CA C 26 57.314 57.314 56.509 0.805 25469 137 1 . 1 1 26 26 LEU CB C 26 41.328 41.328 42.206 -0.878 25469 138 1 . 1 1 26 26 LEU H H 26 7.670 7.670 7.772 -0.102 25469 139 1 . 1 1 27 27 VAL N N 27 114.562 114.562 115.815 -1.253 25469 140 1 . 1 1 27 27 VAL HA H 27 4.047 4.047 4.178 -0.131 25469 141 1 . 1 1 27 27 VAL C C 27 175.200 175.200 175.676 -0.476 25469 142 1 . 1 1 27 27 VAL CA C 27 63.031 63.031 62.828 0.203 25469 143 1 . 1 1 27 27 VAL CB C 27 35.182 35.182 33.019 2.163 25469 144 1 . 1 1 27 27 VAL H H 27 6.790 6.790 7.559 -0.769 25469 145 1 . 1 1 28 28 VAL N N 28 121.996 121.996 120.612 1.384 25469 146 1 . 1 1 28 28 VAL HA H 28 3.859 3.859 4.178 -0.319 25469 147 1 . 1 1 28 28 VAL C C 28 174.352 174.352 174.674 -0.322 25469 148 1 . 1 1 28 28 VAL CA C 28 63.192 63.192 61.627 1.565 25469 149 1 . 1 1 28 28 VAL CB C 28 31.941 31.941 32.946 -1.005 25469 150 1 . 1 1 28 28 VAL H H 28 8.276 8.276 7.697 0.579 25469 151 1 . 1 1 29 29 LYS N N 29 124.228 124.228 124.662 -0.434 25469 152 1 . 1 1 29 29 LYS HA H 29 4.602 4.602 4.698 -0.096 25469 153 1 . 1 1 29 29 LYS C C 29 177.959 177.959 176.960 0.999 25469 154 1 . 1 1 29 29 LYS CA C 29 53.646 53.646 54.555 -0.910 25469 155 1 . 1 1 29 29 LYS CB C 29 34.395 34.395 35.803 -1.408 25469 156 1 . 1 1 29 29 LYS H H 29 8.925 8.925 8.025 0.900 25469 157 1 . 1 1 30 30 LYS N N 30 123.350 123.350 120.880 2.470 25469 158 1 . 1 1 30 30 LYS HA H 30 3.654 3.654 4.047 -0.393 25469 159 1 . 1 1 30 30 LYS C C 30 177.639 177.639 176.799 0.840 25469 160 1 . 1 1 30 30 LYS CA C 30 61.400 61.400 58.665 2.735 25469 161 1 . 1 1 30 30 LYS CB C 30 32.649 32.649 31.838 0.811 25469 162 1 . 1 1 30 30 LYS H H 30 8.993 8.993 8.708 0.285 25469 163 1 . 1 1 31 31 SER N N 31 111.465 111.465 113.141 -1.676 25469 164 1 . 1 1 31 31 SER HA H 31 4.167 4.167 4.719 -0.552 25469 165 1 . 1 1 31 31 SER C C 31 177.617 177.617 174.391 3.226 25469 166 1 . 1 1 31 31 SER CA C 31 61.389 61.389 58.802 2.587 25469 167 1 . 1 1 31 31 SER CB C 31 61.533 61.533 63.565 -2.032 25469 168 1 . 1 1 31 31 SER H H 31 8.669 8.669 8.102 0.567 25469 169 1 . 1 1 32 32 ASP N N 32 122.187 122.187 121.911 0.276 25469 170 1 . 1 1 32 32 ASP HA H 32 4.520 4.520 4.810 -0.290 25469 171 1 . 1 1 32 32 ASP C C 32 178.194 178.194 178.403 -0.209 25469 172 1 . 1 1 32 32 ASP CA C 32 57.188 57.188 55.955 1.233 25469 173 1 . 1 1 32 32 ASP CB C 32 41.847 41.847 42.432 -0.585 25469 174 1 . 1 1 32 32 ASP H H 32 7.141 7.141 8.082 -0.941 25469 175 1 . 1 1 33 33 VAL N N 33 120.138 120.138 120.147 -0.009 25469 176 1 . 1 1 33 33 VAL HA H 33 3.461 3.461 3.936 -0.475 25469 177 1 . 1 1 33 33 VAL C C 33 178.624 178.624 176.655 1.969 25469 178 1 . 1 1 33 33 VAL CA C 33 67.374 67.374 66.816 0.558 25469 179 1 . 1 1 33 33 VAL CB C 33 31.285 31.285 31.647 -0.362 25469 180 1 . 1 1 33 33 VAL H H 33 7.956 7.956 8.171 -0.215 25469 181 1 . 1 1 34 34 GLU N N 34 118.717 118.717 116.315 2.402 25469 182 1 . 1 1 34 34 GLU HA H 34 3.754 3.754 4.218 -0.465 25469 183 1 . 1 1 34 34 GLU C C 34 178.701 178.701 175.947 2.754 25469 184 1 . 1 1 34 34 GLU CA C 34 60.505 60.505 57.503 3.002 25469 185 1 . 1 1 34 34 GLU CB C 34 29.344 29.344 28.686 0.658 25469 186 1 . 1 1 34 34 GLU H H 34 8.637 8.637 8.633 0.004 25469 187 1 . 1 1 35 35 ALA N N 35 121.541 121.541 120.094 1.447 25469 188 1 . 1 1 35 35 ALA HA H 35 4.149 4.149 4.604 -0.455 25469 189 1 . 1 1 35 35 ALA C C 35 180.483 180.483 177.278 3.205 25469 190 1 . 1 1 35 35 ALA CA C 35 55.516 55.516 52.673 2.843 25469 191 1 . 1 1 35 35 ALA CB C 35 18.048 18.048 20.399 -2.351 25469 192 1 . 1 1 35 35 ALA H H 35 7.823 7.823 7.899 -0.076 25469 193 1 . 1 1 36 36 ILE N N 36 117.449 117.449 117.497 -0.048 25469 194 1 . 1 1 36 36 ILE HA H 36 3.663 3.663 4.078 -0.415 25469 195 1 . 1 1 36 36 ILE C C 36 178.665 178.665 176.143 2.522 25469 196 1 . 1 1 36 36 ILE CA C 36 64.811 64.811 62.728 2.083 25469 197 1 . 1 1 36 36 ILE CB C 36 39.790 39.790 39.584 0.206 25469 198 1 . 1 1 36 36 ILE H H 36 7.773 7.773 7.539 0.234 25469 199 1 . 1 1 37 37 PHE N N 37 113.524 113.524 117.250 -3.726 25469 200 1 . 1 1 37 37 PHE HA H 37 4.358 4.358 4.978 -0.620 25469 201 1 . 1 1 37 37 PHE C C 37 179.593 179.593 177.520 2.073 25469 202 1 . 1 1 37 37 PHE CA C 37 62.680 62.680 59.397 3.283 25469 203 1 . 1 1 37 37 PHE CB C 37 37.210 37.210 40.435 -3.225 25469 204 1 . 1 1 37 37 PHE H H 37 8.566 8.566 8.318 0.248 25469 205 1 . 1 1 38 38 SER N N 38 122.025 122.025 115.089 6.936 25469 206 1 . 1 1 38 38 SER HA H 38 4.821 4.821 4.705 0.116 25469 207 1 . 1 1 38 38 SER C C 38 175.439 175.439 175.478 -0.038 25469 208 1 . 1 1 38 38 SER CA C 38 61.519 61.519 60.093 1.426 25469 209 1 . 1 1 38 38 SER CB C 38 62.765 62.765 63.358 -0.593 25469 210 1 . 1 1 38 38 SER H H 38 8.834 8.834 8.537 0.297 25469 211 1 . 1 1 39 39 LYS N N 39 119.387 119.387 118.457 0.930 25469 212 1 . 1 1 39 39 LYS HA H 39 3.961 3.961 4.089 -0.128 25469 213 1 . 1 1 39 39 LYS C C 39 177.064 177.064 176.220 0.844 25469 214 1 . 1 1 39 39 LYS CA C 39 58.279 58.279 57.374 0.904 25469 215 1 . 1 1 39 39 LYS CB C 39 31.586 31.586 31.488 0.098 25469 216 1 . 1 1 39 39 LYS H H 39 7.054 7.054 7.972 -0.918 25469 217 1 . 1 1 40 40 TYR N N 40 114.433 114.433 118.503 -4.070 25469 218 1 . 1 1 40 40 TYR HA H 40 4.277 4.277 4.580 -0.303 25469 219 1 . 1 1 40 40 TYR C C 40 174.842 174.842 174.825 0.017 25469 220 1 . 1 1 40 40 TYR CA C 40 58.850 58.850 58.131 0.719 25469 221 1 . 1 1 40 40 TYR CB C 40 38.427 38.427 40.152 -1.725 25469 222 1 . 1 1 40 40 TYR H H 40 6.956 6.956 7.413 -0.457 25469 223 1 . 1 1 41 41 GLY N N 41 106.514 106.514 104.112 2.402 25469 224 1 . 1 1 41 41 GLY C C 41 170.573 170.573 171.809 -1.236 25469 225 1 . 1 1 41 41 GLY CA C 41 44.556 44.556 44.853 -0.297 25469 226 1 . 1 1 41 41 GLY H H 41 7.428 7.428 7.345 0.083 25469 227 1 . 1 1 42 42 LYS N N 42 117.788 117.788 121.782 -3.994 25469 228 1 . 1 1 42 42 LYS HA H 42 4.197 4.197 4.364 -0.167 25469 229 1 . 1 1 42 42 LYS C C 42 176.536 176.536 176.029 0.507 25469 230 1 . 1 1 42 42 LYS CA C 42 57.136 57.136 56.624 0.512 25469 231 1 . 1 1 42 42 LYS CB C 42 32.967 32.967 32.802 0.164 25469 232 1 . 1 1 42 42 LYS H H 42 8.034 8.034 8.471 -0.438 25469 233 1 . 1 1 43 43 ILE N N 43 127.104 127.104 127.311 -0.207 25469 234 1 . 1 1 43 43 ILE HA H 43 4.024 4.024 4.469 -0.445 25469 235 1 . 1 1 43 43 ILE C C 43 176.993 176.993 176.551 0.442 25469 236 1 . 1 1 43 43 ILE CA C 43 61.380 61.380 61.738 -0.358 25469 237 1 . 1 1 43 43 ILE CB C 43 38.913 38.913 38.648 0.265 25469 238 1 . 1 1 43 43 ILE H H 43 8.711 8.711 8.657 0.054 25469 239 1 . 1 1 44 44 VAL N N 44 121.993 121.993 120.455 1.538 25469 240 1 . 1 1 44 44 VAL HA H 44 4.364 4.364 4.503 -0.139 25469 241 1 . 1 1 44 44 VAL C C 44 176.853 176.853 175.203 1.650 25469 242 1 . 1 1 44 44 VAL CA C 44 61.858 61.858 61.038 0.820 25469 243 1 . 1 1 44 44 VAL CB C 44 32.552 32.552 33.159 -0.607 25469 244 1 . 1 1 44 44 VAL H H 44 8.711 8.711 8.774 -0.063 25469 245 1 . 1 1 45 45 GLY N N 45 109.507 109.507 107.524 1.983 25469 246 1 . 1 1 45 45 GLY C C 45 171.266 171.266 171.834 -0.568 25469 247 1 . 1 1 45 45 GLY CA C 45 45.009 45.009 45.665 -0.656 25469 248 1 . 1 1 45 45 GLY H H 45 7.530 7.530 7.462 0.068 25469 249 1 . 1 1 46 46 CYS N N 46 124.546 124.546 119.542 5.004 25469 250 1 . 1 1 46 46 CYS HA H 46 5.031 5.031 5.479 -0.448 25469 251 1 . 1 1 46 46 CYS C C 46 172.073 172.073 172.417 -0.344 25469 252 1 . 1 1 46 46 CYS CA C 46 57.963 57.963 57.051 0.912 25469 253 1 . 1 1 46 46 CYS CB C 46 28.342 28.342 31.312 -2.970 25469 254 1 . 1 1 46 46 CYS H H 46 8.982 8.982 9.125 -0.143 25469 255 1 . 1 1 47 47 SER N N 47 122.933 122.933 117.786 5.147 25469 256 1 . 1 1 47 47 SER HA H 47 4.908 4.908 4.804 0.104 25469 257 1 . 1 1 47 47 SER C C 47 171.849 171.849 172.127 -0.278 25469 258 1 . 1 1 47 47 SER CA C 47 56.585 56.585 57.348 -0.763 25469 259 1 . 1 1 47 47 SER CB C 47 65.733 65.733 65.371 0.362 25469 260 1 . 1 1 47 47 SER H H 47 8.569 8.569 8.934 -0.365 25469 261 1 . 1 1 48 48 VAL N N 48 121.588 121.588 123.552 -1.964 25469 262 1 . 1 1 48 48 VAL HA H 48 4.138 4.138 4.272 -0.134 25469 263 1 . 1 1 48 48 VAL C C 48 173.991 173.991 174.599 -0.608 25469 264 1 . 1 1 48 48 VAL CA C 48 62.310 62.310 61.084 1.226 25469 265 1 . 1 1 48 48 VAL CB C 48 33.924 33.924 34.517 -0.594 25469 266 1 . 1 1 48 48 VAL H H 48 8.565 8.565 8.339 0.226 25469 267 1 . 1 1 49 49 HIS N N 49 130.308 130.308 123.885 6.423 25469 268 1 . 1 1 49 49 HIS HA H 49 4.432 4.432 4.726 -0.294 25469 269 1 . 1 1 49 49 HIS C C 49 173.950 173.950 173.768 0.182 25469 270 1 . 1 1 49 49 HIS CA C 49 54.651 54.651 54.137 0.514 25469 271 1 . 1 1 49 49 HIS CB C 49 31.553 31.553 32.431 -0.878 25469 272 1 . 1 1 49 49 HIS H H 49 8.441 8.441 8.807 -0.366 25469 273 1 . 1 1 50 50 LYS N N 50 121.937 121.937 120.132 1.805 25469 274 1 . 1 1 50 50 LYS HA H 50 4.460 4.460 4.026 0.434 25469 275 1 . 1 1 50 50 LYS C C 50 175.528 175.528 177.256 -1.728 25469 276 1 . 1 1 50 50 LYS CA C 50 56.289 56.289 56.289 0.000 25469 277 1 . 1 1 50 50 LYS CB C 50 30.478 30.478 31.937 -1.459 25469 278 1 . 1 1 50 50 LYS H H 50 7.926 7.926 8.181 -0.255 25469 279 1 . 1 1 51 51 GLY N N 51 114.868 114.868 112.200 2.668 25469 280 1 . 1 1 51 51 GLY C C 51 174.253 174.253 173.041 1.212 25469 281 1 . 1 1 51 51 GLY CA C 51 45.520 45.520 46.126 -0.606 25469 282 1 . 1 1 51 51 GLY H H 51 8.644 8.644 8.622 0.022 25469 283 1 . 1 1 52 52 PHE N N 52 112.790 112.790 115.221 -2.431 25469 284 1 . 1 1 52 52 PHE HA H 52 5.248 5.248 5.626 -0.378 25469 285 1 . 1 1 52 52 PHE C C 52 171.606 171.606 172.897 -1.291 25469 286 1 . 1 1 52 52 PHE CA C 52 55.230 55.230 54.303 0.927 25469 287 1 . 1 1 52 52 PHE CB C 52 41.045 41.045 41.474 -0.429 25469 288 1 . 1 1 52 52 PHE H H 52 7.005 7.005 7.202 -0.197 25469 289 1 . 1 1 53 53 ALA N N 53 119.858 119.858 119.382 0.476 25469 290 1 . 1 1 53 53 ALA HA H 53 4.835 4.835 4.943 -0.108 25469 291 1 . 1 1 53 53 ALA C C 53 173.030 173.030 174.588 -1.558 25469 292 1 . 1 1 53 53 ALA CA C 53 50.346 50.346 51.044 -0.698 25469 293 1 . 1 1 53 53 ALA CB C 53 24.733 24.733 22.494 2.239 25469 294 1 . 1 1 53 53 ALA H H 53 8.724 8.724 8.454 0.270 25469 295 1 . 1 1 54 54 PHE N N 54 112.158 112.158 116.256 -4.098 25469 296 1 . 1 1 54 54 PHE HA H 54 5.580 5.580 5.663 -0.083 25469 297 1 . 1 1 54 54 PHE C C 54 175.765 175.765 174.172 1.593 25469 298 1 . 1 1 54 54 PHE CA C 54 56.604 56.604 57.039 -0.435 25469 299 1 . 1 1 54 54 PHE CB C 54 44.294 44.294 44.481 -0.187 25469 300 1 . 1 1 54 54 PHE H H 54 8.764 8.764 9.117 -0.353 25469 301 1 . 1 1 55 55 VAL N N 55 118.628 118.628 120.806 -2.178 25469 302 1 . 1 1 55 55 VAL HA H 55 4.212 4.212 4.544 -0.332 25469 303 1 . 1 1 55 55 VAL C C 55 172.807 172.807 173.699 -0.892 25469 304 1 . 1 1 55 55 VAL CA C 55 61.877 61.877 60.932 0.945 25469 305 1 . 1 1 55 55 VAL CB C 55 34.953 34.953 35.851 -0.898 25469 306 1 . 1 1 55 55 VAL H H 55 8.310 8.310 8.926 -0.616 25469 307 1 . 1 1 56 56 GLN N N 56 128.402 128.402 124.073 4.329 25469 308 1 . 1 1 56 56 GLN HA H 56 4.565 4.565 4.803 -0.238 25469 309 1 . 1 1 56 56 GLN C C 56 173.894 173.894 174.166 -0.272 25469 310 1 . 1 1 56 56 GLN CA C 56 54.213 54.213 53.862 0.350 25469 311 1 . 1 1 56 56 GLN CB C 56 32.106 32.106 32.005 0.101 25469 312 1 . 1 1 56 56 GLN H H 56 9.253 9.253 8.842 0.411 25469 313 1 . 1 1 57 57 TYR N N 57 127.617 127.617 123.996 3.621 25469 314 1 . 1 1 57 57 TYR HA H 57 5.281 5.281 5.379 -0.098 25469 315 1 . 1 1 57 57 TYR C C 57 175.610 175.610 176.915 -1.305 25469 316 1 . 1 1 57 57 TYR CA C 57 58.691 58.691 56.380 2.311 25469 317 1 . 1 1 57 57 TYR CB C 57 40.069 40.069 41.069 -1.000 25469 318 1 . 1 1 57 57 TYR H H 57 8.919 8.919 8.974 -0.055 25469 319 1 . 1 1 58 58 VAL N N 58 116.705 116.705 119.151 -2.446 25469 320 1 . 1 1 58 58 VAL HA H 58 4.113 4.113 3.854 0.259 25469 321 1 . 1 1 58 58 VAL C C 58 175.860 175.860 175.611 0.249 25469 322 1 . 1 1 58 58 VAL CA C 58 64.029 64.029 64.612 -0.583 25469 323 1 . 1 1 58 58 VAL CB C 58 33.049 33.049 32.152 0.897 25469 324 1 . 1 1 58 58 VAL H H 58 9.458 9.458 8.799 0.659 25469 325 1 . 1 1 59 59 ASN N N 59 112.563 112.563 112.932 -0.369 25469 326 1 . 1 1 59 59 ASN HA H 59 5.150 5.150 4.865 0.285 25469 327 1 . 1 1 59 59 ASN C C 59 174.483 174.483 174.878 -0.395 25469 328 1 . 1 1 59 59 ASN CA C 59 51.952 51.952 52.219 -0.267 25469 329 1 . 1 1 59 59 ASN CB C 59 42.177 42.177 40.221 1.956 25469 330 1 . 1 1 59 59 ASN H H 59 7.230 7.230 7.432 -0.202 25469 331 1 . 1 1 60 60 GLU N N 60 124.320 124.320 120.120 4.200 25469 332 1 . 1 1 60 60 GLU HA H 60 4.315 4.315 4.170 0.144 25469 333 1 . 1 1 60 60 GLU C C 60 178.202 178.202 177.831 0.371 25469 334 1 . 1 1 60 60 GLU CA C 60 58.781 58.781 59.500 -0.719 25469 335 1 . 1 1 60 60 GLU CB C 60 30.378 30.378 29.773 0.605 25469 336 1 . 1 1 60 60 GLU H H 60 8.807 8.807 8.911 -0.104 25469 337 1 . 1 1 61 61 ARG N N 61 118.347 118.347 119.001 -0.654 25469 338 1 . 1 1 61 61 ARG HA H 61 3.990 3.990 4.035 -0.045 25469 339 1 . 1 1 61 61 ARG C C 61 179.341 179.341 178.529 0.812 25469 340 1 . 1 1 61 61 ARG CA C 61 59.467 59.467 58.563 0.904 25469 341 1 . 1 1 61 61 ARG CB C 61 29.401 29.401 29.756 -0.355 25469 342 1 . 1 1 61 61 ARG H H 61 8.620 8.620 8.312 0.308 25469 343 1 . 1 1 62 62 ASN N N 62 118.085 118.085 117.231 0.854 25469 344 1 . 1 1 62 62 ASN HA H 62 4.277 4.277 4.317 -0.040 25469 345 1 . 1 1 62 62 ASN C C 62 174.852 174.852 176.503 -1.651 25469 346 1 . 1 1 62 62 ASN CA C 62 56.465 56.465 56.215 0.250 25469 347 1 . 1 1 62 62 ASN CB C 62 39.007 39.007 38.174 0.834 25469 348 1 . 1 1 62 62 ASN H H 62 7.781 7.781 7.951 -0.170 25469 349 1 . 1 1 63 63 ALA N N 63 119.580 119.580 122.941 -3.361 25469 350 1 . 1 1 63 63 ALA HA H 63 3.748 3.748 4.423 -0.675 25469 351 1 . 1 1 63 63 ALA C C 63 178.862 178.862 179.333 -0.471 25469 352 1 . 1 1 63 63 ALA CA C 63 54.961 54.961 54.749 0.212 25469 353 1 . 1 1 63 63 ALA CB C 63 18.541 18.541 18.751 -0.210 25469 354 1 . 1 1 63 63 ALA H H 63 6.775 6.775 7.293 -0.518 25469 355 1 . 1 1 64 64 ARG N N 64 114.991 114.991 118.251 -3.260 25469 356 1 . 1 1 64 64 ARG HA H 64 3.840 3.840 4.146 -0.306 25469 357 1 . 1 1 64 64 ARG C C 64 179.776 179.776 178.600 1.176 25469 358 1 . 1 1 64 64 ARG CA C 64 60.182 60.182 57.994 2.188 25469 359 1 . 1 1 64 64 ARG CB C 64 29.247 29.247 29.724 -0.477 25469 360 1 . 1 1 64 64 ARG H H 64 8.737 8.737 8.431 0.306 25469 361 1 . 1 1 65 65 ALA N N 65 123.698 123.698 121.398 2.300 25469 362 1 . 1 1 65 65 ALA HA H 65 4.127 4.127 4.287 -0.160 25469 363 1 . 1 1 65 65 ALA C C 65 179.561 179.561 178.540 1.021 25469 364 1 . 1 1 65 65 ALA CA C 65 54.948 54.948 54.509 0.439 25469 365 1 . 1 1 65 65 ALA CB C 65 17.891 17.891 18.340 -0.449 25469 366 1 . 1 1 65 65 ALA H H 65 7.820 7.820 7.556 0.264 25469 367 1 . 1 1 66 66 ALA N N 66 123.811 123.811 120.187 3.624 25469 368 1 . 1 1 66 66 ALA HA H 66 2.067 2.067 3.724 -1.657 25469 369 1 . 1 1 66 66 ALA C C 66 179.260 179.260 179.359 -0.099 25469 370 1 . 1 1 66 66 ALA CA C 66 54.309 54.309 54.487 -0.178 25469 371 1 . 1 1 66 66 ALA CB C 66 19.308 19.308 19.071 0.237 25469 372 1 . 1 1 66 66 ALA H H 66 7.538 7.538 7.405 0.133 25469 373 1 . 1 1 67 67 VAL N N 67 116.571 116.571 118.284 -1.713 25469 374 1 . 1 1 67 67 VAL HA H 67 3.355 3.355 3.691 -0.337 25469 375 1 . 1 1 67 67 VAL C C 67 177.744 177.744 177.566 0.178 25469 376 1 . 1 1 67 67 VAL CA C 67 66.530 66.530 66.732 -0.202 25469 377 1 . 1 1 67 67 VAL CB C 67 31.967 31.967 31.635 0.332 25469 378 1 . 1 1 67 67 VAL H H 67 7.612 7.612 8.308 -0.696 25469 379 1 . 1 1 68 68 ALA N N 68 118.239 118.239 120.234 -1.996 25469 380 1 . 1 1 68 68 ALA HA H 68 4.121 4.121 4.318 -0.197 25469 381 1 . 1 1 68 68 ALA C C 68 180.749 180.749 178.175 2.574 25469 382 1 . 1 1 68 68 ALA CA C 68 54.352 54.352 53.486 0.866 25469 383 1 . 1 1 68 68 ALA CB C 68 18.097 18.097 18.666 -0.569 25469 384 1 . 1 1 68 68 ALA H H 68 7.549 7.549 7.544 0.005 25469 385 1 . 1 1 69 69 GLY N N 69 103.748 103.748 105.165 -1.417 25469 386 1 . 1 1 69 69 GLY C C 69 175.627 175.627 174.894 0.733 25469 387 1 . 1 1 69 69 GLY CA C 69 46.086 46.086 45.027 1.059 25469 388 1 . 1 1 69 69 GLY H H 69 8.135 8.135 7.314 0.822 25469 389 1 . 1 1 70 70 GLU N N 70 114.571 114.571 116.381 -1.810 25469 390 1 . 1 1 70 70 GLU HA H 70 4.632 4.632 4.359 0.273 25469 391 1 . 1 1 70 70 GLU C C 70 176.392 176.392 175.006 1.385 25469 392 1 . 1 1 70 70 GLU CA C 70 55.198 55.198 55.918 -0.720 25469 393 1 . 1 1 70 70 GLU CB C 70 31.372 31.372 31.958 -0.586 25469 394 1 . 1 1 70 70 GLU H H 70 7.653 7.653 7.596 0.057 25469 395 1 . 1 1 71 71 ASP N N 71 118.127 118.127 121.176 -3.049 25469 396 1 . 1 1 71 71 ASP HA H 71 4.285 4.285 4.359 -0.074 25469 397 1 . 1 1 71 71 ASP C C 71 178.699 178.699 177.045 1.654 25469 398 1 . 1 1 71 71 ASP CA C 71 57.542 57.542 56.000 1.542 25469 399 1 . 1 1 71 71 ASP CB C 71 41.370 41.370 40.191 1.179 25469 400 1 . 1 1 71 71 ASP H H 71 8.026 8.026 7.575 0.451 25469 401 1 . 1 1 72 72 GLY N N 72 114.353 114.353 113.816 0.537 25469 402 1 . 1 1 72 72 GLY C C 72 173.792 173.792 174.403 -0.611 25469 403 1 . 1 1 72 72 GLY CA C 72 45.759 45.759 45.170 0.589 25469 404 1 . 1 1 72 72 GLY H H 72 8.292 8.292 8.129 0.163 25469 405 1 . 1 1 73 73 ARG N N 73 121.996 121.996 118.910 3.086 25469 406 1 . 1 1 73 73 ARG HA H 73 4.186 4.186 4.429 -0.243 25469 407 1 . 1 1 73 73 ARG C C 73 175.188 175.188 174.880 0.308 25469 408 1 . 1 1 73 73 ARG CA C 73 56.476 56.476 54.996 1.480 25469 409 1 . 1 1 73 73 ARG CB C 73 31.319 31.319 31.189 0.130 25469 410 1 . 1 1 73 73 ARG H H 73 7.981 7.981 7.938 0.043 25469 411 1 . 1 1 74 74 MET N N 74 125.120 125.120 120.478 4.642 25469 412 1 . 1 1 74 74 MET HA H 74 4.795 4.795 4.655 0.140 25469 413 1 . 1 1 74 74 MET C C 74 175.727 175.727 174.811 0.916 25469 414 1 . 1 1 74 74 MET CA C 74 55.054 55.054 54.757 0.297 25469 415 1 . 1 1 74 74 MET CB C 74 33.076 33.076 34.253 -1.177 25469 416 1 . 1 1 74 74 MET H H 74 8.710 8.710 8.309 0.401 25469 417 1 . 1 1 75 75 ILE N N 75 127.530 127.530 125.757 1.773 25469 418 1 . 1 1 75 75 ILE HA H 75 4.387 4.387 4.429 -0.042 25469 419 1 . 1 1 75 75 ILE C C 75 175.277 175.277 175.644 -0.367 25469 420 1 . 1 1 75 75 ILE CA C 75 59.731 59.731 60.593 -0.863 25469 421 1 . 1 1 75 75 ILE CB C 75 40.407 40.407 41.389 -0.982 25469 422 1 . 1 1 75 75 ILE H H 75 8.583 8.583 8.779 -0.196 25469 423 1 . 1 1 76 76 ALA N N 76 132.166 132.166 130.087 2.079 25469 424 1 . 1 1 76 76 ALA HA H 76 4.032 4.032 3.990 0.042 25469 425 1 . 1 1 76 76 ALA C C 76 177.206 177.206 177.712 -0.506 25469 426 1 . 1 1 76 76 ALA CA C 76 52.872 52.872 53.253 -0.381 25469 427 1 . 1 1 76 76 ALA CB C 76 17.248 17.248 17.358 -0.110 25469 428 1 . 1 1 76 76 ALA H H 76 9.540 9.540 9.040 0.500 25469 429 1 . 1 1 77 77 GLY N N 77 101.685 101.685 102.789 -1.104 25469 430 1 . 1 1 77 77 GLY C C 77 174.206 174.206 173.870 0.336 25469 431 1 . 1 1 77 77 GLY CA C 77 45.767 45.767 44.877 0.890 25469 432 1 . 1 1 77 77 GLY H H 77 8.446 8.446 8.339 0.107 25469 433 1 . 1 1 78 78 GLN N N 78 118.947 118.947 120.109 -1.162 25469 434 1 . 1 1 78 78 GLN HA H 78 4.731 4.731 4.663 0.068 25469 435 1 . 1 1 78 78 GLN C C 78 174.047 174.047 174.856 -0.809 25469 436 1 . 1 1 78 78 GLN CA C 78 54.261 54.261 54.363 -0.102 25469 437 1 . 1 1 78 78 GLN CB C 78 32.104 32.104 31.667 0.437 25469 438 1 . 1 1 78 78 GLN H H 78 7.708 7.708 8.119 -0.410 25469 439 1 . 1 1 79 79 VAL N N 79 123.383 123.383 126.858 -3.475 25469 440 1 . 1 1 79 79 VAL HA H 79 4.014 4.014 4.440 -0.426 25469 441 1 . 1 1 79 79 VAL C C 79 176.348 176.348 176.284 0.064 25469 442 1 . 1 1 79 79 VAL CA C 79 62.668 62.668 63.562 -0.894 25469 443 1 . 1 1 79 79 VAL CB C 79 32.129 32.129 32.247 -0.118 25469 444 1 . 1 1 79 79 VAL H H 79 8.570 8.570 8.538 0.032 25469 445 1 . 1 1 80 80 LEU N N 80 128.544 128.544 126.576 1.968 25469 446 1 . 1 1 80 80 LEU HA H 80 4.308 4.308 4.701 -0.393 25469 447 1 . 1 1 80 80 LEU C C 80 176.522 176.522 176.258 0.264 25469 448 1 . 1 1 80 80 LEU CA C 80 55.901 55.901 53.396 2.505 25469 449 1 . 1 1 80 80 LEU CB C 80 42.899 42.899 43.895 -0.996 25469 450 1 . 1 1 80 80 LEU H H 80 9.002 9.002 8.465 0.537 25469 451 1 . 1 1 81 81 ASP N N 81 124.135 124.135 122.079 2.056 25469 452 1 . 1 1 81 81 ASP HA H 81 5.221 5.221 5.260 -0.039 25469 453 1 . 1 1 81 81 ASP C C 81 174.660 174.660 174.750 -0.090 25469 454 1 . 1 1 81 81 ASP CA C 81 52.987 52.987 53.389 -0.402 25469 455 1 . 1 1 81 81 ASP CB C 81 42.767 42.767 42.435 0.332 25469 456 1 . 1 1 81 81 ASP H H 81 7.718 7.718 8.350 -0.632 25469 457 1 . 1 1 82 82 ILE N N 82 123.344 123.344 124.624 -1.280 25469 458 1 . 1 1 82 82 ILE HA H 82 5.397 5.397 4.852 0.545 25469 459 1 . 1 1 82 82 ILE C C 82 174.521 174.521 174.500 0.021 25469 460 1 . 1 1 82 82 ILE CA C 82 59.134 59.134 59.937 -0.803 25469 461 1 . 1 1 82 82 ILE CB C 82 40.967 40.967 40.868 0.099 25469 462 1 . 1 1 82 82 ILE H H 82 9.071 9.071 8.957 0.114 25469 463 1 . 1 1 83 83 ASN N N 83 116.447 116.447 121.809 -5.362 25469 464 1 . 1 1 83 83 ASN HA H 83 4.842 4.842 5.004 -0.162 25469 465 1 . 1 1 83 83 ASN C C 83 174.566 174.566 173.555 1.011 25469 466 1 . 1 1 83 83 ASN CA C 83 53.128 53.128 51.999 1.129 25469 467 1 . 1 1 83 83 ASN CB C 83 43.074 43.074 41.800 1.274 25469 468 1 . 1 1 83 83 ASN H H 83 8.494 8.494 8.765 -0.271 25469 469 1 . 1 1 84 84 LEU N N 84 123.786 123.786 122.198 1.588 25469 470 1 . 1 1 84 84 LEU HA H 84 4.720 4.720 4.389 0.331 25469 471 1 . 1 1 84 84 LEU C C 84 180.969 180.969 178.380 2.589 25469 472 1 . 1 1 84 84 LEU CA C 84 56.357 56.357 56.073 0.284 25469 473 1 . 1 1 84 84 LEU CB C 84 41.319 41.319 42.575 -1.256 25469 474 1 . 1 1 84 84 LEU H H 84 9.414 9.414 8.866 0.548 25469 475 1 . 1 1 85 85 ALA N N 85 127.577 127.577 128.084 -0.507 25469 476 1 . 1 1 85 85 ALA HA H 85 4.048 4.048 4.304 -0.256 25469 477 1 . 1 1 85 85 ALA C C 85 177.932 177.932 176.661 1.271 25469 478 1 . 1 1 85 85 ALA CA C 85 56.349 56.349 54.317 2.032 25469 479 1 . 1 1 85 85 ALA CB C 85 17.987 17.987 18.975 -0.988 25469 480 1 . 1 1 85 85 ALA H H 85 9.279 9.279 8.275 1.004 25469 481 1 . 1 1 86 86 ALA N N 86 116.071 116.071 116.970 -0.899 25469 482 1 . 1 1 86 86 ALA HA H 86 4.411 4.411 4.410 0.001 25469 483 1 . 1 1 86 86 ALA C C 86 176.153 176.153 176.479 -0.326 25469 484 1 . 1 1 86 86 ALA CA C 86 51.729 51.729 52.050 -0.321 25469 485 1 . 1 1 86 86 ALA CB C 86 19.310 19.310 19.606 -0.296 25469 486 1 . 1 1 86 86 ALA H H 86 8.687 8.687 8.068 0.619 25469 487 1 . 1 1 87 87 GLU N N 87 118.959 118.959 119.605 -0.646 25469 488 1 . 1 1 87 87 GLU HA H 87 4.736 4.736 4.665 0.071 25469 489 1 . 1 1 87 87 GLU C C 87 171.677 171.677 173.826 -2.149 25469 490 1 . 1 1 87 87 GLU CA C 87 53.172 53.172 53.221 -0.049 25469 491 1 . 1 1 87 87 GLU CB C 87 29.973 29.973 30.121 -0.148 25469 492 1 . 1 1 87 87 GLU H H 87 7.901 7.901 7.872 0.029 25469 493 1 . 1 1 88 88 PRO HA H 88 4.343 4.343 4.479 -0.136 25469 494 1 . 1 1 88 88 PRO C C 88 177.303 177.303 176.795 0.508 25469 495 1 . 1 1 88 88 PRO CA C 88 62.918 62.918 63.167 -0.249 25469 496 1 . 1 1 88 88 PRO CB C 88 31.898 31.898 32.396 -0.498 25469 497 1 . 1 1 89 89 LYS N N 89 121.298 121.298 122.885 -1.587 25469 498 1 . 1 1 89 89 LYS HA H 89 4.227 4.227 4.219 0.008 25469 499 1 . 1 1 89 89 LYS C C 89 177.690 177.690 176.475 1.215 25469 500 1 . 1 1 89 89 LYS CA C 89 56.802 56.802 57.449 -0.647 25469 501 1 . 1 1 89 89 LYS CB C 89 33.504 33.504 32.452 1.052 25469 502 1 . 1 1 89 89 LYS H H 89 7.973 7.973 8.584 -0.611 25469 503 1 . 1 1 90 90 VAL N N 90 120.788 120.788 115.474 5.314 25469 504 1 . 1 1 90 90 VAL HA H 90 3.929 3.929 4.221 -0.292 25469 505 1 . 1 1 90 90 VAL C C 90 176.170 176.170 175.680 0.490 25469 506 1 . 1 1 90 90 VAL CA C 90 63.217 63.217 62.691 0.526 25469 507 1 . 1 1 90 90 VAL CB C 90 32.346 32.346 33.249 -0.903 25469 508 1 . 1 1 90 90 VAL H H 90 8.216 8.216 8.085 0.131 25469 509 1 . 1 1 91 91 ASN N N 91 119.438 119.438 118.278 1.160 25469 510 1 . 1 1 91 91 ASN HA H 91 4.659 4.659 4.790 -0.131 25469 511 1 . 1 1 91 91 ASN C C 91 175.173 175.173 174.776 0.397 25469 512 1 . 1 1 91 91 ASN CA C 91 53.037 53.037 53.462 -0.425 25469 513 1 . 1 1 91 91 ASN CB C 91 38.167 38.167 39.334 -1.167 25469 514 1 . 1 1 91 91 ASN H H 91 8.451 8.451 8.226 0.225 25469 515 1 . 1 1 92 92 ARG N N 92 120.958 120.958 120.282 0.676 25469 516 1 . 1 1 92 92 ARG HA H 92 4.237 4.237 4.394 -0.157 25469 517 1 . 1 1 92 92 ARG C C 92 177.002 177.002 176.352 0.650 25469 518 1 . 1 1 92 92 ARG CA C 92 56.644 56.644 56.575 0.069 25469 519 1 . 1 1 92 92 ARG CB C 92 30.526 30.526 30.465 0.061 25469 520 1 . 1 1 92 92 ARG H H 92 7.978 7.978 8.068 -0.090 25469 521 1 . 1 1 93 93 GLY N N 93 110.275 110.275 110.091 0.184 25469 522 1 . 1 1 93 93 GLY C C 93 174.246 174.246 174.109 0.137 25469 523 1 . 1 1 93 93 GLY CA C 93 45.384 45.384 45.200 0.184 25469 524 1 . 1 1 93 93 GLY H H 93 8.604 8.604 8.228 0.376 25469 525 1 . 1 1 94 94 LYS N N 94 120.750 120.750 119.085 1.665 25469 526 1 . 1 1 94 94 LYS HA H 94 4.297 4.297 4.374 -0.077 25469 527 1 . 1 1 94 94 LYS C C 94 176.525 176.525 175.432 1.093 25469 528 1 . 1 1 94 94 LYS CA C 94 56.044 56.044 56.712 -0.668 25469 529 1 . 1 1 94 94 LYS CB C 94 33.025 33.025 33.265 -0.240 25469 530 1 . 1 1 94 94 LYS H H 94 8.113 8.113 8.542 -0.429 25469 531 1 . 1 1 95 95 ALA N N 95 124.912 124.912 120.644 4.268 25469 532 1 . 1 1 95 95 ALA HA H 95 4.299 4.299 4.682 -0.383 25469 533 1 . 1 1 95 95 ALA C C 95 178.325 178.325 176.492 1.833 25469 534 1 . 1 1 95 95 ALA CA C 95 52.752 52.752 51.727 1.025 25469 535 1 . 1 1 95 95 ALA CB C 95 19.140 19.140 20.782 -1.642 25469 536 1 . 1 1 95 95 ALA H H 95 8.367 8.367 7.594 0.773 25469 537 1 . 1 1 96 96 GLY N N 96 108.328 108.328 107.040 1.288 25469 538 1 . 1 1 96 96 GLY C C 96 174.096 174.096 174.277 -0.181 25469 539 1 . 1 1 96 96 GLY CA C 96 45.241 45.241 45.486 -0.245 25469 540 1 . 1 1 96 96 GLY H H 96 8.390 8.390 8.491 -0.101 25469 541 1 . 1 1 97 97 VAL N N 97 119.774 119.774 119.434 0.340 25469 542 1 . 1 1 97 97 VAL HA H 97 4.077 4.077 4.212 -0.135 25469 543 1 . 1 1 97 97 VAL C C 97 176.156 176.156 175.448 0.708 25469 544 1 . 1 1 97 97 VAL CA C 97 62.299 62.299 61.743 0.556 25469 545 1 . 1 1 97 97 VAL CB C 97 32.854 32.854 33.176 -0.322 25469 546 1 . 1 1 97 97 VAL H H 97 7.925 7.925 7.493 0.432 25469 547 1 . 1 1 98 98 LYS N N 98 126.024 126.024 125.878 0.146 25469 548 1 . 1 1 98 98 LYS HA H 98 4.326 4.326 4.531 -0.205 25469 549 1 . 1 1 98 98 LYS C C 98 176.427 176.427 176.006 0.421 25469 550 1 . 1 1 98 98 LYS CA C 98 56.101 56.101 55.950 0.151 25469 551 1 . 1 1 98 98 LYS CB C 98 33.061 33.061 32.829 0.232 25469 552 1 . 1 1 98 98 LYS H H 98 8.473 8.473 8.474 -0.001 25469 553 1 . 1 1 99 99 ARG N N 99 123.644 123.644 119.616 4.029 25469 554 1 . 1 1 99 99 ARG HA H 99 4.379 4.379 4.521 -0.142 25469 555 1 . 1 1 99 99 ARG C C 99 176.231 176.231 176.484 -0.253 25469 556 1 . 1 1 99 99 ARG CA C 99 55.932 55.932 55.193 0.739 25469 557 1 . 1 1 99 99 ARG CB C 99 31.267 31.267 32.045 -0.778 25469 558 1 . 1 1 99 99 ARG H H 99 8.464 8.464 7.613 0.851 25469 559 1 . 1 1 100 100 SER N N 100 117.863 117.863 117.437 0.426 25469 560 1 . 1 1 100 100 SER HA H 100 4.449 4.449 4.350 0.099 25469 561 1 . 1 1 100 100 SER C C 100 174.556 174.556 174.806 -0.250 25469 562 1 . 1 1 100 100 SER CA C 100 57.985 57.985 59.570 -1.585 25469 563 1 . 1 1 100 100 SER CB C 100 64.167 64.167 63.333 0.834 25469 564 1 . 1 1 100 100 SER H H 100 8.516 8.516 8.828 -0.312 25469 565 1 . 1 1 101 101 ALA N N 101 126.048 126.048 121.025 5.023 25469 566 1 . 1 1 101 101 ALA HA H 101 4.257 4.257 4.058 0.199 25469 567 1 . 1 1 101 101 ALA C C 101 178.047 178.047 176.758 1.289 25469 568 1 . 1 1 101 101 ALA CA C 101 53.348 53.348 53.591 -0.243 25469 569 1 . 1 1 101 101 ALA CB C 101 18.945 18.945 17.798 1.147 25469 570 1 . 1 1 101 101 ALA H H 101 8.538 8.538 8.211 0.327 25469 571 1 . 1 1 102 102 ALA N N 102 121.566 121.566 119.131 2.435 25469 572 1 . 1 1 102 102 ALA HA H 102 4.225 4.225 4.604 -0.379 25469 573 1 . 1 1 102 102 ALA C C 102 178.254 178.254 178.170 0.084 25469 574 1 . 1 1 102 102 ALA CA C 102 53.045 53.045 52.145 0.900 25469 575 1 . 1 1 102 102 ALA CB C 102 19.043 19.043 19.554 -0.511 25469 576 1 . 1 1 102 102 ALA H H 102 8.212 8.212 8.068 0.144 25469 577 1 . 1 1 103 103 GLU N N 103 118.735 118.735 118.423 0.312 25469 578 1 . 1 1 103 103 GLU HA H 103 4.201 4.201 4.204 -0.003 25469 579 1 . 1 1 103 103 GLU C C 103 176.516 176.516 176.840 -0.324 25469 580 1 . 1 1 103 103 GLU CA C 103 56.656 56.656 58.143 -1.487 25469 581 1 . 1 1 103 103 GLU CB C 103 30.227 30.227 29.104 1.123 25469 582 1 . 1 1 103 103 GLU H H 103 8.071 8.071 8.839 -0.768 25469 583 1 . 1 1 104 104 MET N N 104 120.106 120.106 116.316 3.790 25469 584 1 . 1 1 104 104 MET HA H 104 4.326 4.326 4.459 -0.133 25469 585 1 . 1 1 104 104 MET C C 104 175.862 175.862 175.243 0.618 25469 586 1 . 1 1 104 104 MET CA C 104 55.939 55.939 55.386 0.553 25469 587 1 . 1 1 104 104 MET CB C 104 32.999 32.999 32.884 0.115 25469 588 1 . 1 1 104 104 MET H H 104 8.073 8.073 7.833 0.239 25469 589 1 . 1 1 105 105 TYR N N 105 120.285 120.285 117.406 2.879 25469 590 1 . 1 1 105 105 TYR HA H 105 4.653 4.653 4.697 -0.044 25469 591 1 . 1 1 105 105 TYR C C 105 175.319 175.319 176.442 -1.123 25469 592 1 . 1 1 105 105 TYR CA C 105 57.595 57.595 57.675 -0.080 25469 593 1 . 1 1 105 105 TYR CB C 105 38.939 38.939 39.365 -0.426 25469 594 1 . 1 1 105 105 TYR H H 105 8.126 8.126 7.672 0.454 25469 stop_ save_