data_25958 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25958 _Entry.PDB_ID 2NB1 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 25958 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 121.276 121.276 122.634 -1.358 25958 2 1 1 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.458 0.225 25958 3 1 1 . 1 1 2 2 ASP C C 2 175.828 175.828 176.785 -0.957 25958 4 1 1 . 1 1 2 2 ASP CA C 2 54.685 54.685 56.119 -1.434 25958 5 1 1 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.916 0.058 25958 6 1 1 . 1 1 2 2 ASP H H 2 8.555 8.555 8.763 -0.208 25958 7 1 1 . 1 1 3 3 ASP N N 3 119.296 119.296 120.305 -1.009 25958 8 1 1 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.457 0.123 25958 9 1 1 . 1 1 3 3 ASP C C 3 175.884 175.884 175.829 0.055 25958 10 1 1 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.526 0.593 25958 11 1 1 . 1 1 3 3 ASP CB C 3 41.305 41.305 39.450 1.855 25958 12 1 1 . 1 1 3 3 ASP H H 3 8.004 8.004 8.572 -0.568 25958 13 1 1 . 1 1 4 4 GLU N N 4 120.922 120.922 120.357 0.565 25958 14 1 1 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.052 0.083 25958 15 1 1 . 1 1 4 4 GLU C C 4 174.979 174.979 176.017 -1.038 25958 16 1 1 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.554 0.317 25958 17 1 1 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.611 1.169 25958 18 1 1 . 1 1 4 4 GLU H H 4 7.945 7.945 7.750 0.195 25958 19 1 1 . 1 1 5 5 LEU N N 5 124.551 124.551 127.935 -3.384 25958 20 1 1 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.234 0.305 25958 21 1 1 . 1 1 5 5 LEU C C 5 175.305 175.305 175.641 -0.336 25958 22 1 1 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.077 -0.206 25958 23 1 1 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.887 0.954 25958 24 1 1 . 1 1 5 5 LEU H H 5 8.042 8.042 8.422 -0.380 25958 25 1 1 . 1 1 6 6 LEU N N 6 127.945 127.945 128.133 -0.188 25958 26 1 1 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.695 -0.183 25958 27 1 1 . 1 1 6 6 LEU C C 6 174.919 174.919 176.201 -1.282 25958 28 1 1 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.229 -0.712 25958 29 1 1 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.462 2.127 25958 30 1 1 . 1 1 6 6 LEU H H 6 8.799 8.799 8.199 0.600 25958 31 1 1 . 1 1 7 7 TYR N N 7 117.176 117.176 120.647 -3.471 25958 32 1 1 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.944 0.213 25958 33 1 1 . 1 1 7 7 TYR C C 7 175.335 175.335 174.801 0.534 25958 34 1 1 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.357 0.075 25958 35 1 1 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.870 0.074 25958 36 1 1 . 1 1 7 7 TYR H H 7 8.583 8.583 8.494 0.089 25958 37 1 1 . 1 1 8 8 LEU N N 8 128.094 128.094 124.778 3.316 25958 38 1 1 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.829 0.323 25958 39 1 1 . 1 1 8 8 LEU C C 8 173.946 173.946 174.640 -0.694 25958 40 1 1 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.652 -1.034 25958 41 1 1 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.412 2.000 25958 42 1 1 . 1 1 8 8 LEU H H 8 9.308 9.308 8.621 0.687 25958 43 1 1 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.588 -0.061 25958 44 1 1 . 1 1 9 9 PRO C C 9 176.758 176.758 176.089 0.669 25958 45 1 1 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.837 -0.747 25958 46 1 1 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.308 0.565 25958 47 1 1 . 1 1 10 10 VAL N N 10 124.047 124.047 123.263 0.784 25958 48 1 1 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.335 -0.126 25958 49 1 1 . 1 1 10 10 VAL C C 10 173.446 173.446 175.465 -2.019 25958 50 1 1 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.401 0.217 25958 51 1 1 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.329 0.340 25958 52 1 1 . 1 1 10 10 VAL H H 10 9.193 9.193 8.202 0.991 25958 53 1 1 . 1 1 11 11 ARG N N 11 127.433 127.433 125.352 2.081 25958 54 1 1 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.686 0.013 25958 55 1 1 . 1 1 11 11 ARG C C 11 176.092 176.092 175.016 1.076 25958 56 1 1 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.332 0.035 25958 57 1 1 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.079 0.526 25958 58 1 1 . 1 1 11 11 ARG H H 11 9.053 9.053 8.681 0.372 25958 59 1 1 . 1 1 12 12 GLY N N 12 115.279 115.279 111.675 3.604 25958 60 1 1 . 1 1 12 12 GLY C C 12 173.823 173.823 174.134 -0.311 25958 61 1 1 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.383 -0.432 25958 62 1 1 . 1 1 12 12 GLY H H 12 8.614 8.614 8.146 0.468 25958 63 1 1 . 1 1 13 13 ARG N N 13 125.500 125.500 123.671 1.829 25958 64 1 1 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.204 -0.352 25958 65 1 1 . 1 1 13 13 ARG C C 13 177.793 177.793 177.995 -0.202 25958 66 1 1 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.602 0.602 25958 67 1 1 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.396 -0.629 25958 68 1 1 . 1 1 13 13 ARG H H 13 8.774 8.774 8.606 0.168 25958 69 1 1 . 1 1 14 14 GLU N N 14 119.254 119.254 117.878 1.376 25958 70 1 1 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.191 -0.109 25958 71 1 1 . 1 1 14 14 GLU C C 14 179.794 179.794 178.586 1.208 25958 72 1 1 . 1 1 14 14 GLU CA C 14 60.362 60.362 60.129 0.233 25958 73 1 1 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.924 0.035 25958 74 1 1 . 1 1 14 14 GLU H H 14 8.888 8.888 8.914 -0.026 25958 75 1 1 . 1 1 15 15 THR N N 15 117.699 117.699 115.703 1.996 25958 76 1 1 . 1 1 15 15 THR HA H 15 3.784 3.784 4.041 -0.257 25958 77 1 1 . 1 1 15 15 THR C C 15 175.457 175.457 176.328 -0.871 25958 78 1 1 . 1 1 15 15 THR CA C 15 66.498 66.498 66.121 0.377 25958 79 1 1 . 1 1 15 15 THR CB C 15 67.813 67.813 68.130 -0.317 25958 80 1 1 . 1 1 15 15 THR H H 15 7.958 7.958 8.264 -0.306 25958 81 1 1 . 1 1 16 16 TYR N N 16 122.365 122.365 122.712 -0.347 25958 82 1 1 . 1 1 16 16 TYR HA H 16 3.742 3.742 3.976 -0.234 25958 83 1 1 . 1 1 16 16 TYR C C 16 175.895 175.895 177.409 -1.514 25958 84 1 1 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.576 1.520 25958 85 1 1 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.633 0.591 25958 86 1 1 . 1 1 16 16 TYR H H 16 8.042 8.042 8.197 -0.155 25958 87 1 1 . 1 1 17 17 GLU N N 17 116.940 116.940 118.664 -1.724 25958 88 1 1 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.609 0.218 25958 89 1 1 . 1 1 17 17 GLU C C 17 179.448 179.448 179.042 0.406 25958 90 1 1 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.397 0.482 25958 91 1 1 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.399 -0.154 25958 92 1 1 . 1 1 17 17 GLU H H 17 8.713 8.713 7.871 0.842 25958 93 1 1 . 1 1 18 18 MET N N 18 118.965 118.965 120.105 -1.140 25958 94 1 1 . 1 1 18 18 MET HA H 18 4.291 4.291 4.195 0.096 25958 95 1 1 . 1 1 18 18 MET C C 18 178.050 178.050 178.179 -0.129 25958 96 1 1 . 1 1 18 18 MET CA C 18 58.815 58.815 58.005 0.810 25958 97 1 1 . 1 1 18 18 MET CB C 18 32.736 32.736 32.779 -0.043 25958 98 1 1 . 1 1 18 18 MET H H 18 7.505 7.505 7.993 -0.488 25958 99 1 1 . 1 1 19 19 LEU N N 19 117.499 117.499 120.666 -3.167 25958 100 1 1 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.049 -0.226 25958 101 1 1 . 1 1 19 19 LEU C C 19 178.443 178.443 179.623 -1.180 25958 102 1 1 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.148 -0.586 25958 103 1 1 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.049 0.706 25958 104 1 1 . 1 1 19 19 LEU H H 19 8.151 8.151 8.578 -0.427 25958 105 1 1 . 1 1 20 20 LEU N N 20 120.873 120.873 120.505 0.368 25958 106 1 1 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.768 -0.004 25958 107 1 1 . 1 1 20 20 LEU C C 20 178.475 178.475 178.480 -0.005 25958 108 1 1 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.231 0.471 25958 109 1 1 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.707 0.158 25958 110 1 1 . 1 1 20 20 LEU H H 20 8.649 8.649 8.736 -0.087 25958 111 1 1 . 1 1 21 21 GLU N N 21 118.433 118.433 120.033 -1.600 25958 112 1 1 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.923 0.138 25958 113 1 1 . 1 1 21 21 GLU C C 21 179.572 179.572 178.944 0.628 25958 114 1 1 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.784 -0.084 25958 115 1 1 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.631 -0.337 25958 116 1 1 . 1 1 21 21 GLU H H 21 7.379 7.379 8.040 -0.661 25958 117 1 1 . 1 1 22 22 ILE N N 22 116.978 116.978 119.385 -2.407 25958 118 1 1 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.718 -0.003 25958 119 1 1 . 1 1 22 22 ILE C C 22 177.909 177.909 178.206 -0.297 25958 120 1 1 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.580 -0.060 25958 121 1 1 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.708 0.204 25958 122 1 1 . 1 1 22 22 ILE H H 22 7.649 7.649 8.204 -0.555 25958 123 1 1 . 1 1 23 23 LYS N N 23 122.631 122.631 120.421 2.210 25958 124 1 1 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.982 -0.274 25958 125 1 1 . 1 1 23 23 LYS C C 23 177.322 177.322 178.337 -1.015 25958 126 1 1 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.087 1.456 25958 127 1 1 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.964 0.531 25958 128 1 1 . 1 1 23 23 LYS H H 23 9.094 9.094 7.710 1.384 25958 129 1 1 . 1 1 24 24 GLU N N 24 117.756 117.756 120.396 -2.640 25958 130 1 1 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.016 0.225 25958 131 1 1 . 1 1 24 24 GLU C C 24 177.755 177.755 178.807 -1.052 25958 132 1 1 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.715 0.051 25958 133 1 1 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.659 0.108 25958 134 1 1 . 1 1 24 24 GLU H H 24 8.320 8.320 8.290 0.030 25958 135 1 1 . 1 1 25 25 SER N N 25 114.010 114.010 116.379 -2.369 25958 136 1 1 . 1 1 25 25 SER HA H 25 4.174 4.174 4.119 0.055 25958 137 1 1 . 1 1 25 25 SER C C 25 175.840 175.840 176.928 -1.088 25958 138 1 1 . 1 1 25 25 SER CA C 25 62.272 62.272 61.627 0.645 25958 139 1 1 . 1 1 25 25 SER CB C 25 63.277 63.277 63.087 0.191 25958 140 1 1 . 1 1 25 25 SER H H 25 7.425 7.425 8.558 -1.133 25958 141 1 1 . 1 1 26 26 LEU N N 26 122.202 122.202 122.354 -0.152 25958 142 1 1 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.155 -0.110 25958 143 1 1 . 1 1 26 26 LEU C C 26 180.418 180.418 178.084 2.334 25958 144 1 1 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.415 0.584 25958 145 1 1 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.067 1.643 25958 146 1 1 . 1 1 26 26 LEU H H 26 7.625 7.625 7.699 -0.074 25958 147 1 1 . 1 1 27 27 GLU N N 27 118.591 118.591 120.048 -1.457 25958 148 1 1 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.976 0.103 25958 149 1 1 . 1 1 27 27 GLU C C 27 180.128 180.128 179.482 0.646 25958 150 1 1 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.737 -0.101 25958 151 1 1 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.666 -0.109 25958 152 1 1 . 1 1 27 27 GLU H H 27 8.593 8.593 7.944 0.649 25958 153 1 1 . 1 1 28 28 LEU N N 28 119.793 119.793 119.680 0.113 25958 154 1 1 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.195 -0.228 25958 155 1 1 . 1 1 28 28 LEU C C 28 178.567 178.567 179.052 -0.485 25958 156 1 1 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.038 -0.748 25958 157 1 1 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.414 0.433 25958 158 1 1 . 1 1 28 28 LEU H H 28 8.468 8.468 8.696 -0.228 25958 159 1 1 . 1 1 29 29 MET N N 29 115.804 115.804 119.484 -3.680 25958 160 1 1 . 1 1 29 29 MET HA H 29 3.928 3.928 4.033 -0.105 25958 161 1 1 . 1 1 29 29 MET C C 29 177.907 177.907 178.066 -0.159 25958 162 1 1 . 1 1 29 29 MET CA C 29 58.463 58.463 58.886 -0.423 25958 163 1 1 . 1 1 29 29 MET CB C 29 33.047 33.047 32.714 0.333 25958 164 1 1 . 1 1 29 29 MET H H 29 7.279 7.279 8.145 -0.866 25958 165 1 1 . 1 1 30 30 GLN N N 30 114.048 114.048 114.960 -0.912 25958 166 1 1 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.167 -0.047 25958 167 1 1 . 1 1 30 30 GLN C C 30 176.520 176.520 176.657 -0.137 25958 168 1 1 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.880 -0.945 25958 169 1 1 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.964 -0.622 25958 170 1 1 . 1 1 30 30 GLN H H 30 7.138 7.138 8.152 -1.014 25958 171 1 1 . 1 1 31 31 TYR N N 31 117.000 117.000 120.509 -3.509 25958 172 1 1 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.382 0.101 25958 173 1 1 . 1 1 31 31 TYR C C 31 176.095 176.095 175.852 0.243 25958 174 1 1 . 1 1 31 31 TYR CA C 31 58.425 58.425 58.727 -0.302 25958 175 1 1 . 1 1 31 31 TYR CB C 31 38.492 38.492 40.361 -1.869 25958 176 1 1 . 1 1 31 31 TYR H H 31 7.764 7.764 7.564 0.200 25958 177 1 1 . 1 1 32 32 LEU N N 32 120.517 120.517 118.788 1.729 25958 178 1 1 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.370 -1.464 25958 179 1 1 . 1 1 32 32 LEU C C 32 174.141 174.141 174.954 -0.813 25958 180 1 1 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.448 -0.111 25958 181 1 1 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.033 1.236 25958 182 1 1 . 1 1 32 32 LEU H H 32 7.368 7.368 8.036 -0.668 25958 183 1 1 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.177 0.370 25958 184 1 1 . 1 1 34 34 GLN CB C 34 32.286 32.286 26.782 5.504 25958 185 1 1 . 1 1 35 35 HIS N N 35 124.090 124.090 121.453 2.637 25958 186 1 1 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.121 0.351 25958 187 1 1 . 1 1 35 35 HIS C C 35 177.836 177.836 177.102 0.734 25958 188 1 1 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.482 -1.116 25958 189 1 1 . 1 1 35 35 HIS CB C 35 29.512 29.512 30.026 -0.515 25958 190 1 1 . 1 1 35 35 HIS H H 35 8.869 8.869 8.473 0.396 25958 191 1 1 . 1 1 36 36 THR N N 36 119.182 119.182 114.134 5.048 25958 192 1 1 . 1 1 36 36 THR HA H 36 3.946 3.946 4.146 -0.200 25958 193 1 1 . 1 1 36 36 THR C C 36 176.029 176.029 176.768 -0.739 25958 194 1 1 . 1 1 36 36 THR CA C 36 66.606 66.606 66.997 -0.391 25958 195 1 1 . 1 1 36 36 THR CB C 36 68.598 68.598 68.480 0.118 25958 196 1 1 . 1 1 36 36 THR H H 36 7.138 7.138 8.664 -1.526 25958 197 1 1 . 1 1 37 37 ILE N N 37 122.903 122.903 120.849 2.054 25958 198 1 1 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.898 -0.336 25958 199 1 1 . 1 1 37 37 ILE C C 37 177.685 177.685 177.858 -0.173 25958 200 1 1 . 1 1 37 37 ILE CA C 37 65.667 65.667 65.072 0.595 25958 201 1 1 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.465 0.739 25958 202 1 1 . 1 1 37 37 ILE H H 37 7.193 7.193 7.917 -0.724 25958 203 1 1 . 1 1 38 38 GLU N N 38 118.719 118.719 120.273 -1.554 25958 204 1 1 . 1 1 38 38 GLU HA H 38 4.049 4.049 4.007 0.042 25958 205 1 1 . 1 1 38 38 GLU C C 38 179.575 179.575 178.969 0.606 25958 206 1 1 . 1 1 38 38 GLU CA C 38 59.745 59.745 59.829 -0.084 25958 207 1 1 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.361 0.080 25958 208 1 1 . 1 1 38 38 GLU H H 38 8.578 8.578 8.742 -0.164 25958 209 1 1 . 1 1 39 39 THR N N 39 116.297 116.297 116.897 -0.600 25958 210 1 1 . 1 1 39 39 THR HA H 39 3.936 3.936 4.010 -0.074 25958 211 1 1 . 1 1 39 39 THR C C 39 176.203 176.203 176.537 -0.334 25958 212 1 1 . 1 1 39 39 THR CA C 39 66.989 66.989 67.507 -0.518 25958 213 1 1 . 1 1 39 39 THR CB C 39 68.845 68.845 68.743 0.102 25958 214 1 1 . 1 1 39 39 THR H H 39 8.124 8.124 7.850 0.274 25958 215 1 1 . 1 1 40 40 TYR N N 40 123.453 123.453 123.394 0.059 25958 216 1 1 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.186 0.037 25958 217 1 1 . 1 1 40 40 TYR C C 40 178.058 178.058 177.367 0.691 25958 218 1 1 . 1 1 40 40 TYR CA C 40 61.902 61.902 60.726 1.176 25958 219 1 1 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.183 0.400 25958 220 1 1 . 1 1 40 40 TYR H H 40 7.730 7.730 8.684 -0.954 25958 221 1 1 . 1 1 41 41 ARG N N 41 119.944 119.944 118.918 1.026 25958 222 1 1 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.599 0.203 25958 223 1 1 . 1 1 41 41 ARG C C 41 179.552 179.552 178.856 0.696 25958 224 1 1 . 1 1 41 41 ARG CA C 41 60.487 60.487 58.575 1.912 25958 225 1 1 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.619 0.459 25958 226 1 1 . 1 1 41 41 ARG H H 41 8.635 8.635 8.342 0.293 25958 227 1 1 . 1 1 42 42 GLN N N 42 119.455 119.455 118.386 1.069 25958 228 1 1 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.954 0.129 25958 229 1 1 . 1 1 42 42 GLN C C 42 178.700 178.700 178.270 0.430 25958 230 1 1 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.125 -0.297 25958 231 1 1 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.412 -0.060 25958 232 1 1 . 1 1 42 42 GLN H H 42 8.225 8.225 8.477 -0.252 25958 233 1 1 . 1 1 43 43 GLN N N 43 118.905 118.905 120.527 -1.622 25958 234 1 1 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.973 0.115 25958 235 1 1 . 1 1 43 43 GLN C C 43 178.664 178.664 178.299 0.365 25958 236 1 1 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.245 -0.898 25958 237 1 1 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.520 -0.341 25958 238 1 1 . 1 1 43 43 GLN H H 43 7.894 7.894 8.420 -0.526 25958 239 1 1 . 1 1 44 44 GLN N N 44 117.762 117.762 119.231 -1.469 25958 240 1 1 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.154 -0.207 25958 241 1 1 . 1 1 44 44 GLN C C 44 178.320 178.320 178.657 -0.337 25958 242 1 1 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.832 -1.547 25958 243 1 1 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.449 -0.288 25958 244 1 1 . 1 1 44 44 GLN H H 44 8.034 8.034 8.255 -0.221 25958 245 1 1 . 1 1 45 45 GLN N N 45 119.382 119.382 118.838 0.544 25958 246 1 1 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.992 0.199 25958 247 1 1 . 1 1 45 45 GLN C C 45 177.742 177.742 179.070 -1.328 25958 248 1 1 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.477 -0.306 25958 249 1 1 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.331 0.162 25958 250 1 1 . 1 1 45 45 GLN H H 45 7.997 7.997 7.601 0.396 25958 251 1 1 . 1 1 46 46 GLN N N 46 118.664 118.664 120.004 -1.340 25958 252 1 1 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.980 0.216 25958 253 1 1 . 1 1 46 46 GLN C C 46 177.540 177.540 178.630 -1.090 25958 254 1 1 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.839 -1.154 25958 255 1 1 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.505 0.238 25958 256 1 1 . 1 1 46 46 GLN H H 46 7.870 7.870 8.336 -0.466 25958 257 1 1 . 1 1 47 47 GLN N N 47 118.622 118.622 118.199 0.423 25958 258 1 1 . 1 1 47 47 GLN C C 47 177.073 177.073 178.333 -1.260 25958 259 1 1 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.710 -1.382 25958 260 1 1 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.705 0.220 25958 261 1 1 . 1 1 47 47 GLN H H 47 8.043 8.043 8.542 -0.499 25958 262 1 1 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.252 0.321 25958 263 1 1 . 1 1 48 48 HIS C C 48 176.277 176.277 176.792 -0.515 25958 264 1 1 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.574 -1.661 25958 265 1 1 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.729 0.490 25958 266 1 1 . 1 1 49 49 GLN N N 49 119.554 119.554 116.023 3.531 25958 267 1 1 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.053 0.162 25958 268 1 1 . 1 1 49 49 GLN C C 49 176.896 176.896 177.084 -0.188 25958 269 1 1 . 1 1 49 49 GLN CA C 49 57.545 57.545 57.861 -0.316 25958 270 1 1 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.835 0.039 25958 271 1 1 . 1 1 49 49 GLN H H 49 8.117 8.117 7.817 0.300 25958 272 1 1 . 1 1 50 50 HIS N N 50 118.665 118.665 116.258 2.407 25958 273 1 1 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.544 0.004 25958 274 1 1 . 1 1 50 50 HIS C C 50 176.265 176.265 177.420 -1.155 25958 275 1 1 . 1 1 50 50 HIS CA C 50 57.300 57.300 57.515 -0.215 25958 276 1 1 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.275 -0.086 25958 277 1 1 . 1 1 50 50 HIS H H 50 8.138 8.138 7.438 0.700 25958 278 1 1 . 1 1 51 51 LEU N N 51 121.208 121.208 121.931 -0.723 25958 279 1 1 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.070 0.100 25958 280 1 1 . 1 1 51 51 LEU C C 51 177.627 177.627 177.155 0.472 25958 281 1 1 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.712 -1.509 25958 282 1 1 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.947 0.197 25958 283 1 1 . 1 1 51 51 LEU H H 51 7.809 7.809 8.246 -0.437 25958 284 1 1 . 1 1 52 52 LEU N N 52 120.700 120.700 119.458 1.242 25958 285 1 1 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.085 0.093 25958 286 1 1 . 1 1 52 52 LEU C C 52 177.799 177.799 176.342 1.457 25958 287 1 1 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.971 0.022 25958 288 1 1 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.329 -0.211 25958 289 1 1 . 1 1 52 52 LEU H H 52 7.924 7.924 7.561 0.363 25958 290 1 1 . 1 1 53 53 GLN N N 53 119.631 119.631 115.909 3.722 25958 291 1 1 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.010 0.205 25958 292 1 1 . 1 1 53 53 GLN C C 53 176.327 176.327 175.154 1.173 25958 293 1 1 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.195 0.297 25958 294 1 1 . 1 1 53 53 GLN CB C 53 29.202 29.202 27.465 1.737 25958 295 1 1 . 1 1 53 53 GLN H H 53 7.986 7.986 8.019 -0.033 25958 296 1 1 . 1 1 54 54 LYS N N 54 121.278 121.278 120.526 0.752 25958 297 1 1 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.480 -0.253 25958 298 1 1 . 1 1 54 54 LYS C C 54 176.812 176.812 176.339 0.473 25958 299 1 1 . 1 1 54 54 LYS CA C 54 56.680 56.680 55.961 0.719 25958 300 1 1 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.642 -0.744 25958 301 1 1 . 1 1 54 54 LYS H H 54 8.053 8.053 8.744 -0.691 25958 302 1 1 . 1 1 55 55 GLN N N 55 120.539 120.539 119.340 1.199 25958 303 1 1 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.499 -0.177 25958 304 1 1 . 1 1 55 55 GLN C C 55 176.291 176.291 177.089 -0.798 25958 305 1 1 . 1 1 55 55 GLN CA C 55 56.199 56.199 56.069 0.130 25958 306 1 1 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.406 -0.014 25958 307 1 1 . 1 1 55 55 GLN H H 55 8.249 8.249 7.955 0.294 25958 308 1 1 . 1 1 56 56 THR N N 56 114.334 114.334 114.680 -0.346 25958 309 1 1 . 1 1 56 56 THR HA H 56 4.347 4.347 4.169 0.178 25958 310 1 1 . 1 1 56 56 THR C C 56 174.526 174.526 173.757 0.769 25958 311 1 1 . 1 1 56 56 THR CA C 56 62.075 62.075 63.704 -1.629 25958 312 1 1 . 1 1 56 56 THR CB C 56 69.852 69.852 69.212 0.640 25958 313 1 1 . 1 1 56 56 THR H H 56 8.063 8.063 8.574 -0.511 25958 314 1 1 . 1 1 57 57 SER N N 57 117.856 117.856 114.362 3.494 25958 315 1 1 . 1 1 57 57 SER HA H 57 4.502 4.502 4.782 -0.280 25958 316 1 1 . 1 1 57 57 SER C C 57 174.275 174.275 172.744 1.531 25958 317 1 1 . 1 1 57 57 SER CA C 57 58.405 58.405 57.890 0.515 25958 318 1 1 . 1 1 57 57 SER CB C 57 63.949 63.949 65.218 -1.269 25958 319 1 1 . 1 1 57 57 SER H H 57 8.163 8.163 7.941 0.222 25958 320 1 1 . 1 1 58 58 ILE N N 58 122.144 122.144 123.722 -1.578 25958 321 1 1 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.447 -0.253 25958 322 1 1 . 1 1 58 58 ILE C C 58 176.006 176.006 174.679 1.327 25958 323 1 1 . 1 1 58 58 ILE CA C 58 61.275 61.275 60.628 0.647 25958 324 1 1 . 1 1 58 58 ILE CB C 58 38.820 38.820 40.663 -1.843 25958 325 1 1 . 1 1 58 58 ILE H H 58 8.049 8.049 8.524 -0.475 25958 326 1 1 . 1 1 59 59 GLN N N 59 124.842 124.842 124.473 0.369 25958 327 1 1 . 1 1 59 59 GLN HA H 59 4.416 4.416 5.003 -0.587 25958 328 1 1 . 1 1 59 59 GLN C C 59 174.974 174.974 174.239 0.735 25958 329 1 1 . 1 1 59 59 GLN CA C 59 55.845 55.845 54.922 0.923 25958 330 1 1 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.740 -1.992 25958 331 1 1 . 1 1 59 59 GLN H H 59 8.327 8.327 8.714 -0.387 25958 332 1 2 . 1 1 2 2 ASP N N 2 121.276 121.276 122.269 -0.993 25958 333 1 2 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.582 0.101 25958 334 1 2 . 1 1 2 2 ASP C C 2 175.828 175.828 175.733 0.095 25958 335 1 2 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.319 -0.633 25958 336 1 2 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.906 0.068 25958 337 1 2 . 1 1 2 2 ASP H H 2 8.555 8.555 8.787 -0.232 25958 338 1 2 . 1 1 3 3 ASP N N 3 119.296 119.296 118.458 0.838 25958 339 1 2 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.811 -0.231 25958 340 1 2 . 1 1 3 3 ASP C C 3 175.884 175.884 175.065 0.819 25958 341 1 2 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.842 0.277 25958 342 1 2 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.523 -0.218 25958 343 1 2 . 1 1 3 3 ASP H H 3 8.004 8.004 7.938 0.066 25958 344 1 2 . 1 1 4 4 GLU N N 4 120.922 120.922 122.366 -1.444 25958 345 1 2 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.197 -0.062 25958 346 1 2 . 1 1 4 4 GLU C C 4 174.979 174.979 175.994 -1.015 25958 347 1 2 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.678 0.193 25958 348 1 2 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.808 0.972 25958 349 1 2 . 1 1 4 4 GLU H H 4 7.945 7.945 7.523 0.422 25958 350 1 2 . 1 1 5 5 LEU N N 5 124.551 124.551 129.072 -4.521 25958 351 1 2 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.149 0.390 25958 352 1 2 . 1 1 5 5 LEU C C 5 175.305 175.305 175.781 -0.476 25958 353 1 2 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.882 -0.011 25958 354 1 2 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.915 0.926 25958 355 1 2 . 1 1 5 5 LEU H H 5 8.042 8.042 8.580 -0.538 25958 356 1 2 . 1 1 6 6 LEU N N 6 127.945 127.945 126.155 1.790 25958 357 1 2 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.577 -0.065 25958 358 1 2 . 1 1 6 6 LEU C C 6 174.919 174.919 176.208 -1.289 25958 359 1 2 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.118 -0.601 25958 360 1 2 . 1 1 6 6 LEU CB C 6 45.589 45.589 42.991 2.598 25958 361 1 2 . 1 1 6 6 LEU H H 6 8.799 8.799 7.923 0.876 25958 362 1 2 . 1 1 7 7 TYR N N 7 117.176 117.176 122.723 -5.547 25958 363 1 2 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.650 0.507 25958 364 1 2 . 1 1 7 7 TYR C C 7 175.335 175.335 175.453 -0.118 25958 365 1 2 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.673 -0.242 25958 366 1 2 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.218 1.726 25958 367 1 2 . 1 1 7 7 TYR H H 7 8.583 8.583 8.589 -0.006 25958 368 1 2 . 1 1 8 8 LEU N N 8 128.094 128.094 129.446 -1.352 25958 369 1 2 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.873 0.279 25958 370 1 2 . 1 1 8 8 LEU C C 8 173.946 173.946 174.695 -0.749 25958 371 1 2 . 1 1 8 8 LEU CA C 8 51.618 51.618 51.694 -0.076 25958 372 1 2 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.597 2.815 25958 373 1 2 . 1 1 8 8 LEU H H 8 9.308 9.308 8.478 0.830 25958 374 1 2 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.716 -0.189 25958 375 1 2 . 1 1 9 9 PRO C C 9 176.758 176.758 175.713 1.045 25958 376 1 2 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.975 -0.885 25958 377 1 2 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.706 0.167 25958 378 1 2 . 1 1 10 10 VAL N N 10 124.047 124.047 123.626 0.421 25958 379 1 2 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.389 -0.180 25958 380 1 2 . 1 1 10 10 VAL C C 10 173.446 173.446 174.909 -1.463 25958 381 1 2 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.074 0.544 25958 382 1 2 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.470 0.199 25958 383 1 2 . 1 1 10 10 VAL H H 10 9.193 9.193 8.150 1.043 25958 384 1 2 . 1 1 11 11 ARG N N 11 127.433 127.433 122.743 4.690 25958 385 1 2 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.707 -0.008 25958 386 1 2 . 1 1 11 11 ARG C C 11 176.092 176.092 174.998 1.094 25958 387 1 2 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.892 -0.525 25958 388 1 2 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.641 -0.036 25958 389 1 2 . 1 1 11 11 ARG H H 11 9.053 9.053 8.686 0.367 25958 390 1 2 . 1 1 12 12 GLY N N 12 115.279 115.279 112.403 2.876 25958 391 1 2 . 1 1 12 12 GLY C C 12 173.823 173.823 174.668 -0.845 25958 392 1 2 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.390 -0.439 25958 393 1 2 . 1 1 12 12 GLY H H 12 8.614 8.614 8.145 0.469 25958 394 1 2 . 1 1 13 13 ARG N N 13 125.500 125.500 124.527 0.973 25958 395 1 2 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.177 -0.325 25958 396 1 2 . 1 1 13 13 ARG C C 13 177.793 177.793 177.857 -0.064 25958 397 1 2 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.506 0.698 25958 398 1 2 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.236 -0.469 25958 399 1 2 . 1 1 13 13 ARG H H 13 8.774 8.774 8.813 -0.039 25958 400 1 2 . 1 1 14 14 GLU N N 14 119.254 119.254 117.524 1.730 25958 401 1 2 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.141 -0.059 25958 402 1 2 . 1 1 14 14 GLU C C 14 179.794 179.794 178.846 0.948 25958 403 1 2 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.719 0.643 25958 404 1 2 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.153 -0.194 25958 405 1 2 . 1 1 14 14 GLU H H 14 8.888 8.888 8.875 0.013 25958 406 1 2 . 1 1 15 15 THR N N 15 117.699 117.699 116.447 1.252 25958 407 1 2 . 1 1 15 15 THR HA H 15 3.784 3.784 4.069 -0.285 25958 408 1 2 . 1 1 15 15 THR C C 15 175.457 175.457 176.133 -0.676 25958 409 1 2 . 1 1 15 15 THR CA C 15 66.498 66.498 66.426 0.072 25958 410 1 2 . 1 1 15 15 THR CB C 15 67.813 67.813 68.543 -0.730 25958 411 1 2 . 1 1 15 15 THR H H 15 7.958 7.958 7.881 0.077 25958 412 1 2 . 1 1 16 16 TYR N N 16 122.365 122.365 122.374 -0.009 25958 413 1 2 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.044 -0.302 25958 414 1 2 . 1 1 16 16 TYR C C 16 175.895 175.895 177.250 -1.355 25958 415 1 2 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.736 1.360 25958 416 1 2 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.767 0.457 25958 417 1 2 . 1 1 16 16 TYR H H 16 8.042 8.042 8.331 -0.289 25958 418 1 2 . 1 1 17 17 GLU N N 17 116.940 116.940 119.474 -2.534 25958 419 1 2 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.772 0.055 25958 420 1 2 . 1 1 17 17 GLU C C 17 179.448 179.448 178.966 0.482 25958 421 1 2 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.620 0.260 25958 422 1 2 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.476 -0.231 25958 423 1 2 . 1 1 17 17 GLU H H 17 8.713 8.713 8.246 0.467 25958 424 1 2 . 1 1 18 18 MET N N 18 118.965 118.965 119.036 -0.071 25958 425 1 2 . 1 1 18 18 MET HA H 18 4.291 4.291 4.245 0.046 25958 426 1 2 . 1 1 18 18 MET C C 18 178.050 178.050 178.303 -0.253 25958 427 1 2 . 1 1 18 18 MET CA C 18 58.815 58.815 57.641 1.174 25958 428 1 2 . 1 1 18 18 MET CB C 18 32.736 32.736 32.592 0.144 25958 429 1 2 . 1 1 18 18 MET H H 18 7.505 7.505 7.628 -0.122 25958 430 1 2 . 1 1 19 19 LEU N N 19 117.499 117.499 122.065 -4.566 25958 431 1 2 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.006 -0.183 25958 432 1 2 . 1 1 19 19 LEU C C 19 178.443 178.443 178.649 -0.206 25958 433 1 2 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.328 -0.767 25958 434 1 2 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.722 0.033 25958 435 1 2 . 1 1 19 19 LEU H H 19 8.151 8.151 8.118 0.033 25958 436 1 2 . 1 1 20 20 LEU N N 20 120.873 120.873 118.211 2.662 25958 437 1 2 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.759 0.005 25958 438 1 2 . 1 1 20 20 LEU C C 20 178.475 178.475 178.653 -0.178 25958 439 1 2 . 1 1 20 20 LEU CA C 20 58.702 58.702 57.743 0.959 25958 440 1 2 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.032 0.833 25958 441 1 2 . 1 1 20 20 LEU H H 20 8.649 8.649 8.241 0.408 25958 442 1 2 . 1 1 21 21 GLU N N 21 118.433 118.433 120.711 -2.278 25958 443 1 2 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.926 0.135 25958 444 1 2 . 1 1 21 21 GLU C C 21 179.572 179.572 179.133 0.439 25958 445 1 2 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.841 -0.141 25958 446 1 2 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.605 -0.310 25958 447 1 2 . 1 1 21 21 GLU H H 21 7.379 7.379 7.702 -0.323 25958 448 1 2 . 1 1 22 22 ILE N N 22 116.978 116.978 118.279 -1.301 25958 449 1 2 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.998 -0.283 25958 450 1 2 . 1 1 22 22 ILE C C 22 177.909 177.909 178.308 -0.399 25958 451 1 2 . 1 1 22 22 ILE CA C 22 64.520 64.520 63.995 0.525 25958 452 1 2 . 1 1 22 22 ILE CB C 22 37.912 37.912 38.112 -0.200 25958 453 1 2 . 1 1 22 22 ILE H H 22 7.649 7.649 7.791 -0.142 25958 454 1 2 . 1 1 23 23 LYS N N 23 122.631 122.631 121.217 1.414 25958 455 1 2 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.946 -0.238 25958 456 1 2 . 1 1 23 23 LYS C C 23 177.322 177.322 178.805 -1.483 25958 457 1 2 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.721 0.822 25958 458 1 2 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.107 0.388 25958 459 1 2 . 1 1 23 23 LYS H H 23 9.094 9.094 8.269 0.825 25958 460 1 2 . 1 1 24 24 GLU N N 24 117.756 117.756 118.573 -0.817 25958 461 1 2 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.072 0.169 25958 462 1 2 . 1 1 24 24 GLU C C 24 177.755 177.755 178.935 -1.180 25958 463 1 2 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.261 0.506 25958 464 1 2 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.237 0.530 25958 465 1 2 . 1 1 24 24 GLU H H 24 8.320 8.320 8.290 0.030 25958 466 1 2 . 1 1 25 25 SER N N 25 114.010 114.010 115.947 -1.937 25958 467 1 2 . 1 1 25 25 SER HA H 25 4.174 4.174 4.134 0.040 25958 468 1 2 . 1 1 25 25 SER C C 25 175.840 175.840 176.877 -1.037 25958 469 1 2 . 1 1 25 25 SER CA C 25 62.272 62.272 61.647 0.625 25958 470 1 2 . 1 1 25 25 SER CB C 25 63.277 63.277 62.880 0.397 25958 471 1 2 . 1 1 25 25 SER H H 25 7.425 7.425 7.870 -0.445 25958 472 1 2 . 1 1 26 26 LEU N N 26 122.202 122.202 123.793 -1.591 25958 473 1 2 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.234 -0.189 25958 474 1 2 . 1 1 26 26 LEU C C 26 180.418 180.418 178.179 2.239 25958 475 1 2 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.099 0.900 25958 476 1 2 . 1 1 26 26 LEU CB C 26 42.710 42.710 40.997 1.713 25958 477 1 2 . 1 1 26 26 LEU H H 26 7.625 7.625 7.709 -0.084 25958 478 1 2 . 1 1 27 27 GLU N N 27 118.591 118.591 120.349 -1.758 25958 479 1 2 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.983 0.096 25958 480 1 2 . 1 1 27 27 GLU C C 27 180.128 180.128 179.239 0.889 25958 481 1 2 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.986 -0.350 25958 482 1 2 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.731 -0.174 25958 483 1 2 . 1 1 27 27 GLU H H 27 8.593 8.593 7.845 0.748 25958 484 1 2 . 1 1 28 28 LEU N N 28 119.793 119.793 119.637 0.156 25958 485 1 2 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.977 -0.010 25958 486 1 2 . 1 1 28 28 LEU C C 28 178.567 178.567 179.130 -0.563 25958 487 1 2 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.822 -0.533 25958 488 1 2 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.883 -0.036 25958 489 1 2 . 1 1 28 28 LEU H H 28 8.468 8.468 8.462 0.006 25958 490 1 2 . 1 1 29 29 MET N N 29 115.804 115.804 118.939 -3.135 25958 491 1 2 . 1 1 29 29 MET HA H 29 3.928 3.928 3.925 0.003 25958 492 1 2 . 1 1 29 29 MET C C 29 177.907 177.907 178.033 -0.126 25958 493 1 2 . 1 1 29 29 MET CA C 29 58.463 58.463 58.755 -0.291 25958 494 1 2 . 1 1 29 29 MET CB C 29 33.047 33.047 32.665 0.382 25958 495 1 2 . 1 1 29 29 MET H H 29 7.279 7.279 8.050 -0.771 25958 496 1 2 . 1 1 30 30 GLN N N 30 114.048 114.048 117.554 -3.506 25958 497 1 2 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.010 0.110 25958 498 1 2 . 1 1 30 30 GLN C C 30 176.520 176.520 178.576 -2.056 25958 499 1 2 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.413 -1.478 25958 500 1 2 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.488 -0.146 25958 501 1 2 . 1 1 30 30 GLN H H 30 7.138 7.138 8.257 -1.119 25958 502 1 2 . 1 1 31 31 TYR N N 31 117.000 117.000 118.123 -1.123 25958 503 1 2 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.365 0.118 25958 504 1 2 . 1 1 31 31 TYR C C 31 176.095 176.095 176.284 -0.189 25958 505 1 2 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.614 -2.189 25958 506 1 2 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.657 -1.165 25958 507 1 2 . 1 1 31 31 TYR H H 31 7.764 7.764 7.904 -0.140 25958 508 1 2 . 1 1 32 32 LEU N N 32 120.517 120.517 121.221 -0.704 25958 509 1 2 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.921 -2.015 25958 510 1 2 . 1 1 32 32 LEU C C 32 174.141 174.141 174.294 -0.153 25958 511 1 2 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.588 0.749 25958 512 1 2 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.491 -1.222 25958 513 1 2 . 1 1 32 32 LEU H H 32 7.368 7.368 7.923 -0.555 25958 514 1 2 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.039 0.508 25958 515 1 2 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.311 2.975 25958 516 1 2 . 1 1 35 35 HIS N N 35 124.090 124.090 119.079 5.011 25958 517 1 2 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.287 0.185 25958 518 1 2 . 1 1 35 35 HIS C C 35 177.836 177.836 177.247 0.589 25958 519 1 2 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.124 -0.758 25958 520 1 2 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.579 -0.067 25958 521 1 2 . 1 1 35 35 HIS H H 35 8.869 8.869 8.735 0.134 25958 522 1 2 . 1 1 36 36 THR N N 36 119.182 119.182 116.045 3.137 25958 523 1 2 . 1 1 36 36 THR HA H 36 3.946 3.946 4.130 -0.184 25958 524 1 2 . 1 1 36 36 THR C C 36 176.029 176.029 176.745 -0.716 25958 525 1 2 . 1 1 36 36 THR CA C 36 66.606 66.606 67.014 -0.409 25958 526 1 2 . 1 1 36 36 THR CB C 36 68.598 68.598 68.221 0.377 25958 527 1 2 . 1 1 36 36 THR H H 36 7.138 7.138 8.465 -1.327 25958 528 1 2 . 1 1 37 37 ILE N N 37 122.903 122.903 121.693 1.210 25958 529 1 2 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.657 -0.095 25958 530 1 2 . 1 1 37 37 ILE C C 37 177.685 177.685 177.457 0.228 25958 531 1 2 . 1 1 37 37 ILE CA C 37 65.667 65.667 65.309 0.358 25958 532 1 2 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.866 0.338 25958 533 1 2 . 1 1 37 37 ILE H H 37 7.193 7.193 7.612 -0.419 25958 534 1 2 . 1 1 38 38 GLU N N 38 118.719 118.719 120.370 -1.651 25958 535 1 2 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.925 0.124 25958 536 1 2 . 1 1 38 38 GLU C C 38 179.575 179.575 179.074 0.501 25958 537 1 2 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.316 -0.571 25958 538 1 2 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.597 -0.156 25958 539 1 2 . 1 1 38 38 GLU H H 38 8.578 8.578 8.181 0.397 25958 540 1 2 . 1 1 39 39 THR N N 39 116.297 116.297 117.201 -0.904 25958 541 1 2 . 1 1 39 39 THR HA H 39 3.936 3.936 4.035 -0.099 25958 542 1 2 . 1 1 39 39 THR C C 39 176.203 176.203 176.346 -0.143 25958 543 1 2 . 1 1 39 39 THR CA C 39 66.989 66.989 67.514 -0.525 25958 544 1 2 . 1 1 39 39 THR CB C 39 68.845 68.845 69.065 -0.220 25958 545 1 2 . 1 1 39 39 THR H H 39 8.124 8.124 8.400 -0.276 25958 546 1 2 . 1 1 40 40 TYR N N 40 123.453 123.453 121.643 1.810 25958 547 1 2 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.154 0.069 25958 548 1 2 . 1 1 40 40 TYR C C 40 178.058 178.058 177.672 0.386 25958 549 1 2 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.416 -0.513 25958 550 1 2 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.024 0.559 25958 551 1 2 . 1 1 40 40 TYR H H 40 7.730 7.730 8.076 -0.346 25958 552 1 2 . 1 1 41 41 ARG N N 41 119.944 119.944 118.178 1.766 25958 553 1 2 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.795 0.007 25958 554 1 2 . 1 1 41 41 ARG C C 41 179.552 179.552 178.479 1.073 25958 555 1 2 . 1 1 41 41 ARG CA C 41 60.487 60.487 60.310 0.177 25958 556 1 2 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.121 -0.043 25958 557 1 2 . 1 1 41 41 ARG H H 41 8.635 8.635 8.805 -0.170 25958 558 1 2 . 1 1 42 42 GLN N N 42 119.455 119.455 118.336 1.119 25958 559 1 2 . 1 1 42 42 GLN HA H 42 4.083 4.083 4.042 0.041 25958 560 1 2 . 1 1 42 42 GLN C C 42 178.700 178.700 178.626 0.074 25958 561 1 2 . 1 1 42 42 GLN CA C 42 58.828 58.828 58.847 -0.019 25958 562 1 2 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.348 0.004 25958 563 1 2 . 1 1 42 42 GLN H H 42 8.225 8.225 7.814 0.411 25958 564 1 2 . 1 1 43 43 GLN N N 43 118.905 118.905 119.067 -0.162 25958 565 1 2 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.949 0.139 25958 566 1 2 . 1 1 43 43 GLN C C 43 178.664 178.664 178.743 -0.079 25958 567 1 2 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.865 -0.518 25958 568 1 2 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.383 -0.204 25958 569 1 2 . 1 1 43 43 GLN H H 43 7.894 7.894 8.228 -0.334 25958 570 1 2 . 1 1 44 44 GLN N N 44 117.762 117.762 119.293 -1.531 25958 571 1 2 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.991 -0.044 25958 572 1 2 . 1 1 44 44 GLN C C 44 178.320 178.320 178.573 -0.253 25958 573 1 2 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.718 -1.433 25958 574 1 2 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.628 -0.467 25958 575 1 2 . 1 1 44 44 GLN H H 44 8.034 8.034 8.515 -0.481 25958 576 1 2 . 1 1 45 45 GLN N N 45 119.382 119.382 119.494 -0.112 25958 577 1 2 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.931 0.260 25958 578 1 2 . 1 1 45 45 GLN C C 45 177.742 177.742 178.134 -0.392 25958 579 1 2 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.953 -0.782 25958 580 1 2 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.500 -0.007 25958 581 1 2 . 1 1 45 45 GLN H H 45 7.997 7.997 8.158 -0.161 25958 582 1 2 . 1 1 46 46 GLN N N 46 118.664 118.664 119.691 -1.027 25958 583 1 2 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.731 0.465 25958 584 1 2 . 1 1 46 46 GLN C C 46 177.540 177.540 177.866 -0.326 25958 585 1 2 . 1 1 46 46 GLN CA C 46 57.685 57.685 59.361 -1.676 25958 586 1 2 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.223 0.520 25958 587 1 2 . 1 1 46 46 GLN H H 46 7.870 7.870 7.796 0.074 25958 588 1 2 . 1 1 47 47 GLN N N 47 118.622 118.622 116.595 2.027 25958 589 1 2 . 1 1 47 47 GLN C C 47 177.073 177.073 178.080 -1.007 25958 590 1 2 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.024 -1.696 25958 591 1 2 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.376 0.549 25958 592 1 2 . 1 1 47 47 GLN H H 47 8.043 8.043 7.765 0.278 25958 593 1 2 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.299 0.274 25958 594 1 2 . 1 1 48 48 HIS C C 48 176.277 176.277 177.265 -0.988 25958 595 1 2 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.657 -1.744 25958 596 1 2 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.898 0.321 25958 597 1 2 . 1 1 49 49 GLN N N 49 119.554 119.554 118.540 1.014 25958 598 1 2 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.808 0.407 25958 599 1 2 . 1 1 49 49 GLN C C 49 176.896 176.896 178.845 -1.949 25958 600 1 2 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.729 -1.184 25958 601 1 2 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.433 0.441 25958 602 1 2 . 1 1 49 49 GLN H H 49 8.117 8.117 8.281 -0.164 25958 603 1 2 . 1 1 50 50 HIS N N 50 118.665 118.665 118.116 0.549 25958 604 1 2 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.282 0.266 25958 605 1 2 . 1 1 50 50 HIS C C 50 176.265 176.265 177.190 -0.925 25958 606 1 2 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.281 -0.980 25958 607 1 2 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.057 0.132 25958 608 1 2 . 1 1 50 50 HIS H H 50 8.138 8.138 8.062 0.076 25958 609 1 2 . 1 1 51 51 LEU N N 51 121.208 121.208 119.896 1.312 25958 610 1 2 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.062 0.108 25958 611 1 2 . 1 1 51 51 LEU C C 51 177.627 177.627 178.664 -1.037 25958 612 1 2 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.288 -1.085 25958 613 1 2 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.300 -0.156 25958 614 1 2 . 1 1 51 51 LEU H H 51 7.809 7.809 7.759 0.050 25958 615 1 2 . 1 1 52 52 LEU N N 52 120.700 120.700 119.073 1.627 25958 616 1 2 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.023 0.155 25958 617 1 2 . 1 1 52 52 LEU C C 52 177.799 177.799 176.866 0.933 25958 618 1 2 . 1 1 52 52 LEU CA C 52 55.993 55.993 56.447 -0.454 25958 619 1 2 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.423 -0.305 25958 620 1 2 . 1 1 52 52 LEU H H 52 7.924 7.924 8.070 -0.146 25958 621 1 2 . 1 1 53 53 GLN N N 53 119.631 119.631 118.536 1.095 25958 622 1 2 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.972 0.243 25958 623 1 2 . 1 1 53 53 GLN C C 53 176.327 176.327 174.655 1.672 25958 624 1 2 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.864 -0.371 25958 625 1 2 . 1 1 53 53 GLN CB C 53 29.202 29.202 26.877 2.325 25958 626 1 2 . 1 1 53 53 GLN H H 53 7.986 7.986 7.804 0.182 25958 627 1 2 . 1 1 54 54 LYS N N 54 121.278 121.278 121.448 -0.170 25958 628 1 2 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.591 -0.364 25958 629 1 2 . 1 1 54 54 LYS C C 54 176.812 176.812 175.444 1.368 25958 630 1 2 . 1 1 54 54 LYS CA C 54 56.680 56.680 55.031 1.649 25958 631 1 2 . 1 1 54 54 LYS CB C 54 32.898 32.898 34.377 -1.479 25958 632 1 2 . 1 1 54 54 LYS H H 54 8.053 8.053 8.279 -0.226 25958 633 1 2 . 1 1 55 55 GLN N N 55 120.539 120.539 120.843 -0.304 25958 634 1 2 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.562 -0.240 25958 635 1 2 . 1 1 55 55 GLN C C 55 176.291 176.291 175.127 1.164 25958 636 1 2 . 1 1 55 55 GLN CA C 55 56.199 56.199 56.588 -0.389 25958 637 1 2 . 1 1 55 55 GLN CB C 55 29.392 29.392 28.978 0.414 25958 638 1 2 . 1 1 55 55 GLN H H 55 8.249 8.249 8.680 -0.431 25958 639 1 2 . 1 1 56 56 THR N N 56 114.334 114.334 113.682 0.652 25958 640 1 2 . 1 1 56 56 THR HA H 56 4.347 4.347 4.497 -0.150 25958 641 1 2 . 1 1 56 56 THR C C 56 174.526 174.526 174.970 -0.444 25958 642 1 2 . 1 1 56 56 THR CA C 56 62.075 62.075 62.249 -0.174 25958 643 1 2 . 1 1 56 56 THR CB C 56 69.852 69.852 69.741 0.111 25958 644 1 2 . 1 1 56 56 THR H H 56 8.063 8.063 8.320 -0.257 25958 645 1 2 . 1 1 57 57 SER N N 57 117.856 117.856 119.966 -2.110 25958 646 1 2 . 1 1 57 57 SER HA H 57 4.502 4.502 4.717 -0.215 25958 647 1 2 . 1 1 57 57 SER C C 57 174.275 174.275 174.516 -0.241 25958 648 1 2 . 1 1 57 57 SER CA C 57 58.405 58.405 57.799 0.606 25958 649 1 2 . 1 1 57 57 SER CB C 57 63.949 63.949 64.176 -0.227 25958 650 1 2 . 1 1 57 57 SER H H 57 8.163 8.163 8.106 0.057 25958 651 1 2 . 1 1 58 58 ILE N N 58 122.144 122.144 119.807 2.337 25958 652 1 2 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.290 -0.096 25958 653 1 2 . 1 1 58 58 ILE C C 58 176.006 176.006 175.853 0.153 25958 654 1 2 . 1 1 58 58 ILE CA C 58 61.275 61.275 62.019 -0.744 25958 655 1 2 . 1 1 58 58 ILE CB C 58 38.820 38.820 37.335 1.485 25958 656 1 2 . 1 1 58 58 ILE H H 58 8.049 8.049 8.472 -0.423 25958 657 1 2 . 1 1 59 59 GLN N N 59 124.842 124.842 120.787 4.055 25958 658 1 2 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.898 -0.482 25958 659 1 2 . 1 1 59 59 GLN C C 59 174.974 174.974 174.291 0.683 25958 660 1 2 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.012 0.833 25958 661 1 2 . 1 1 59 59 GLN CB C 59 29.748 29.748 32.179 -2.431 25958 662 1 2 . 1 1 59 59 GLN H H 59 8.327 8.327 8.250 0.077 25958 663 1 3 . 1 1 2 2 ASP N N 2 121.276 121.276 121.288 -0.012 25958 664 1 3 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.498 0.185 25958 665 1 3 . 1 1 2 2 ASP C C 2 175.828 175.828 175.975 -0.147 25958 666 1 3 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.224 -0.539 25958 667 1 3 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.434 0.540 25958 668 1 3 . 1 1 2 2 ASP H H 2 8.555 8.555 8.585 -0.030 25958 669 1 3 . 1 1 3 3 ASP N N 3 119.296 119.296 116.492 2.804 25958 670 1 3 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.455 0.125 25958 671 1 3 . 1 1 3 3 ASP C C 3 175.884 175.884 176.461 -0.577 25958 672 1 3 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.867 0.252 25958 673 1 3 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.566 0.739 25958 674 1 3 . 1 1 3 3 ASP H H 3 8.004 8.004 7.874 0.130 25958 675 1 3 . 1 1 4 4 GLU N N 4 120.922 120.922 121.559 -0.637 25958 676 1 3 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.178 -0.043 25958 677 1 3 . 1 1 4 4 GLU C C 4 174.979 174.979 175.834 -0.855 25958 678 1 3 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.624 0.247 25958 679 1 3 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.294 1.486 25958 680 1 3 . 1 1 4 4 GLU H H 4 7.945 7.945 7.751 0.194 25958 681 1 3 . 1 1 5 5 LEU N N 5 124.551 124.551 127.851 -3.300 25958 682 1 3 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.291 0.248 25958 683 1 3 . 1 1 5 5 LEU C C 5 175.305 175.305 175.854 -0.549 25958 684 1 3 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.601 0.270 25958 685 1 3 . 1 1 5 5 LEU CB C 5 42.841 42.841 42.162 0.679 25958 686 1 3 . 1 1 5 5 LEU H H 5 8.042 8.042 8.497 -0.455 25958 687 1 3 . 1 1 6 6 LEU N N 6 127.945 127.945 128.728 -0.783 25958 688 1 3 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.490 0.022 25958 689 1 3 . 1 1 6 6 LEU C C 6 174.919 174.919 175.979 -1.060 25958 690 1 3 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.192 -0.675 25958 691 1 3 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.974 1.615 25958 692 1 3 . 1 1 6 6 LEU H H 6 8.799 8.799 8.078 0.721 25958 693 1 3 . 1 1 7 7 TYR N N 7 117.176 117.176 121.073 -3.897 25958 694 1 3 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.759 0.398 25958 695 1 3 . 1 1 7 7 TYR C C 7 175.335 175.335 175.073 0.262 25958 696 1 3 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.359 0.073 25958 697 1 3 . 1 1 7 7 TYR CB C 7 40.944 40.944 38.919 2.025 25958 698 1 3 . 1 1 7 7 TYR H H 7 8.583 8.583 8.574 0.009 25958 699 1 3 . 1 1 8 8 LEU N N 8 128.094 128.094 128.082 0.012 25958 700 1 3 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.644 0.508 25958 701 1 3 . 1 1 8 8 LEU C C 8 173.946 173.946 175.369 -1.423 25958 702 1 3 . 1 1 8 8 LEU CA C 8 51.618 51.618 53.284 -1.666 25958 703 1 3 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.180 3.232 25958 704 1 3 . 1 1 8 8 LEU H H 8 9.308 9.308 8.367 0.941 25958 705 1 3 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.774 -0.247 25958 706 1 3 . 1 1 9 9 PRO C C 9 176.758 176.758 175.599 1.159 25958 707 1 3 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.976 -0.886 25958 708 1 3 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.845 0.028 25958 709 1 3 . 1 1 10 10 VAL N N 10 124.047 124.047 123.746 0.301 25958 710 1 3 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.428 -0.219 25958 711 1 3 . 1 1 10 10 VAL C C 10 173.446 173.446 175.117 -1.671 25958 712 1 3 . 1 1 10 10 VAL CA C 10 61.618 61.618 60.946 0.672 25958 713 1 3 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.242 0.427 25958 714 1 3 . 1 1 10 10 VAL H H 10 9.193 9.193 8.263 0.930 25958 715 1 3 . 1 1 11 11 ARG N N 11 127.433 127.433 124.309 3.124 25958 716 1 3 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.690 0.009 25958 717 1 3 . 1 1 11 11 ARG C C 11 176.092 176.092 175.061 1.031 25958 718 1 3 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.407 -0.040 25958 719 1 3 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.018 0.587 25958 720 1 3 . 1 1 11 11 ARG H H 11 9.053 9.053 8.674 0.379 25958 721 1 3 . 1 1 12 12 GLY N N 12 115.279 115.279 112.235 3.044 25958 722 1 3 . 1 1 12 12 GLY C C 12 173.823 173.823 174.344 -0.521 25958 723 1 3 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.359 -0.408 25958 724 1 3 . 1 1 12 12 GLY H H 12 8.614 8.614 8.323 0.291 25958 725 1 3 . 1 1 13 13 ARG N N 13 125.500 125.500 123.932 1.568 25958 726 1 3 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.110 -0.258 25958 727 1 3 . 1 1 13 13 ARG C C 13 177.793 177.793 177.842 -0.049 25958 728 1 3 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.613 0.591 25958 729 1 3 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.365 -0.598 25958 730 1 3 . 1 1 13 13 ARG H H 13 8.774 8.774 8.796 -0.022 25958 731 1 3 . 1 1 14 14 GLU N N 14 119.254 119.254 117.644 1.610 25958 732 1 3 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.256 -0.174 25958 733 1 3 . 1 1 14 14 GLU C C 14 179.794 179.794 178.693 1.101 25958 734 1 3 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.795 0.566 25958 735 1 3 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.670 0.289 25958 736 1 3 . 1 1 14 14 GLU H H 14 8.888 8.888 8.860 0.028 25958 737 1 3 . 1 1 15 15 THR N N 15 117.699 117.699 117.621 0.078 25958 738 1 3 . 1 1 15 15 THR HA H 15 3.784 3.784 4.052 -0.268 25958 739 1 3 . 1 1 15 15 THR C C 15 175.457 175.457 176.255 -0.798 25958 740 1 3 . 1 1 15 15 THR CA C 15 66.498 66.498 66.330 0.168 25958 741 1 3 . 1 1 15 15 THR CB C 15 67.813 67.813 68.558 -0.745 25958 742 1 3 . 1 1 15 15 THR H H 15 7.958 7.958 8.122 -0.164 25958 743 1 3 . 1 1 16 16 TYR N N 16 122.365 122.365 122.142 0.223 25958 744 1 3 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.050 -0.308 25958 745 1 3 . 1 1 16 16 TYR C C 16 175.895 175.895 177.592 -1.697 25958 746 1 3 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.441 1.655 25958 747 1 3 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.717 0.507 25958 748 1 3 . 1 1 16 16 TYR H H 16 8.042 8.042 8.555 -0.513 25958 749 1 3 . 1 1 17 17 GLU N N 17 116.940 116.940 119.454 -2.514 25958 750 1 3 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.824 0.003 25958 751 1 3 . 1 1 17 17 GLU C C 17 179.448 179.448 178.814 0.634 25958 752 1 3 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.772 0.107 25958 753 1 3 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.782 -0.536 25958 754 1 3 . 1 1 17 17 GLU H H 17 8.713 8.713 7.802 0.911 25958 755 1 3 . 1 1 18 18 MET N N 18 118.965 118.965 118.847 0.118 25958 756 1 3 . 1 1 18 18 MET HA H 18 4.291 4.291 4.209 0.082 25958 757 1 3 . 1 1 18 18 MET C C 18 178.050 178.050 178.308 -0.258 25958 758 1 3 . 1 1 18 18 MET CA C 18 58.815 58.815 58.508 0.306 25958 759 1 3 . 1 1 18 18 MET CB C 18 32.736 32.736 32.007 0.729 25958 760 1 3 . 1 1 18 18 MET H H 18 7.505 7.505 8.114 -0.609 25958 761 1 3 . 1 1 19 19 LEU N N 19 117.499 117.499 120.935 -3.436 25958 762 1 3 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.020 -0.197 25958 763 1 3 . 1 1 19 19 LEU C C 19 178.443 178.443 178.690 -0.247 25958 764 1 3 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.069 -0.508 25958 765 1 3 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.497 0.258 25958 766 1 3 . 1 1 19 19 LEU H H 19 8.151 8.151 8.458 -0.307 25958 767 1 3 . 1 1 20 20 LEU N N 20 120.873 120.873 119.362 1.511 25958 768 1 3 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.764 -0.000 25958 769 1 3 . 1 1 20 20 LEU C C 20 178.475 178.475 178.120 0.355 25958 770 1 3 . 1 1 20 20 LEU CA C 20 58.702 58.702 57.910 0.792 25958 771 1 3 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.605 0.260 25958 772 1 3 . 1 1 20 20 LEU H H 20 8.649 8.649 7.968 0.681 25958 773 1 3 . 1 1 21 21 GLU N N 21 118.433 118.433 120.323 -1.890 25958 774 1 3 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.911 0.150 25958 775 1 3 . 1 1 21 21 GLU C C 21 179.572 179.572 179.113 0.459 25958 776 1 3 . 1 1 21 21 GLU CA C 21 59.700 59.700 60.013 -0.313 25958 777 1 3 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.703 -0.409 25958 778 1 3 . 1 1 21 21 GLU H H 21 7.379 7.379 8.258 -0.879 25958 779 1 3 . 1 1 22 22 ILE N N 22 116.978 116.978 118.826 -1.848 25958 780 1 3 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.745 -0.030 25958 781 1 3 . 1 1 22 22 ILE C C 22 177.909 177.909 177.738 0.171 25958 782 1 3 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.727 -0.207 25958 783 1 3 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.681 0.231 25958 784 1 3 . 1 1 22 22 ILE H H 22 7.649 7.649 8.205 -0.556 25958 785 1 3 . 1 1 23 23 LYS N N 23 122.631 122.631 121.247 1.384 25958 786 1 3 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.905 -0.197 25958 787 1 3 . 1 1 23 23 LYS C C 23 177.322 177.322 178.661 -1.339 25958 788 1 3 . 1 1 23 23 LYS CA C 23 60.543 60.543 60.150 0.393 25958 789 1 3 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.152 0.343 25958 790 1 3 . 1 1 23 23 LYS H H 23 9.094 9.094 7.663 1.431 25958 791 1 3 . 1 1 24 24 GLU N N 24 117.756 117.756 119.028 -1.272 25958 792 1 3 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.056 0.185 25958 793 1 3 . 1 1 24 24 GLU C C 24 177.755 177.755 178.667 -0.912 25958 794 1 3 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.340 0.427 25958 795 1 3 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.323 0.444 25958 796 1 3 . 1 1 24 24 GLU H H 24 8.320 8.320 8.373 -0.053 25958 797 1 3 . 1 1 25 25 SER N N 25 114.010 114.010 115.824 -1.814 25958 798 1 3 . 1 1 25 25 SER HA H 25 4.174 4.174 4.143 0.031 25958 799 1 3 . 1 1 25 25 SER C C 25 175.840 175.840 176.770 -0.930 25958 800 1 3 . 1 1 25 25 SER CA C 25 62.272 62.272 61.584 0.688 25958 801 1 3 . 1 1 25 25 SER CB C 25 63.277 63.277 63.031 0.246 25958 802 1 3 . 1 1 25 25 SER H H 25 7.425 7.425 7.934 -0.509 25958 803 1 3 . 1 1 26 26 LEU N N 26 122.202 122.202 122.476 -0.274 25958 804 1 3 . 1 1 26 26 LEU HA H 26 4.045 4.045 3.930 0.115 25958 805 1 3 . 1 1 26 26 LEU C C 26 180.418 180.418 178.326 2.092 25958 806 1 3 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.952 0.047 25958 807 1 3 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.852 0.858 25958 808 1 3 . 1 1 26 26 LEU H H 26 7.625 7.625 7.928 -0.303 25958 809 1 3 . 1 1 27 27 GLU N N 27 118.591 118.591 119.550 -0.959 25958 810 1 3 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.945 0.134 25958 811 1 3 . 1 1 27 27 GLU C C 27 180.128 180.128 179.461 0.667 25958 812 1 3 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.830 -0.194 25958 813 1 3 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.794 -0.237 25958 814 1 3 . 1 1 27 27 GLU H H 27 8.593 8.593 8.044 0.549 25958 815 1 3 . 1 1 28 28 LEU N N 28 119.793 119.793 120.015 -0.222 25958 816 1 3 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.223 -0.256 25958 817 1 3 . 1 1 28 28 LEU C C 28 178.567 178.567 179.364 -0.797 25958 818 1 3 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.075 -0.786 25958 819 1 3 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.392 0.455 25958 820 1 3 . 1 1 28 28 LEU H H 28 8.468 8.468 8.683 -0.215 25958 821 1 3 . 1 1 29 29 MET N N 29 115.804 115.804 119.487 -3.683 25958 822 1 3 . 1 1 29 29 MET HA H 29 3.928 3.928 4.147 -0.219 25958 823 1 3 . 1 1 29 29 MET C C 29 177.907 177.907 178.975 -1.068 25958 824 1 3 . 1 1 29 29 MET CA C 29 58.463 58.463 58.170 0.293 25958 825 1 3 . 1 1 29 29 MET CB C 29 33.047 33.047 31.790 1.257 25958 826 1 3 . 1 1 29 29 MET H H 29 7.279 7.279 8.022 -0.743 25958 827 1 3 . 1 1 30 30 GLN N N 30 114.048 114.048 118.576 -4.528 25958 828 1 3 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.036 0.084 25958 829 1 3 . 1 1 30 30 GLN C C 30 176.520 176.520 178.001 -1.481 25958 830 1 3 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.365 -1.430 25958 831 1 3 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.759 -0.417 25958 832 1 3 . 1 1 30 30 GLN H H 30 7.138 7.138 8.196 -1.058 25958 833 1 3 . 1 1 31 31 TYR N N 31 117.000 117.000 117.470 -0.470 25958 834 1 3 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.355 0.128 25958 835 1 3 . 1 1 31 31 TYR C C 31 176.095 176.095 175.596 0.499 25958 836 1 3 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.817 -2.392 25958 837 1 3 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.605 -1.113 25958 838 1 3 . 1 1 31 31 TYR H H 31 7.764 7.764 7.924 -0.160 25958 839 1 3 . 1 1 32 32 LEU N N 32 120.517 120.517 119.753 0.764 25958 840 1 3 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.961 -2.055 25958 841 1 3 . 1 1 32 32 LEU C C 32 174.141 174.141 174.960 -0.819 25958 842 1 3 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.131 0.206 25958 843 1 3 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.118 -0.849 25958 844 1 3 . 1 1 32 32 LEU H H 32 7.368 7.368 7.649 -0.281 25958 845 1 3 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.229 0.318 25958 846 1 3 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.103 3.183 25958 847 1 3 . 1 1 35 35 HIS N N 35 124.090 124.090 119.607 4.483 25958 848 1 3 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.186 0.286 25958 849 1 3 . 1 1 35 35 HIS C C 35 177.836 177.836 177.571 0.265 25958 850 1 3 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.526 -1.160 25958 851 1 3 . 1 1 35 35 HIS CB C 35 29.512 29.512 30.124 -0.612 25958 852 1 3 . 1 1 35 35 HIS H H 35 8.869 8.869 8.688 0.181 25958 853 1 3 . 1 1 36 36 THR N N 36 119.182 119.182 114.760 4.422 25958 854 1 3 . 1 1 36 36 THR HA H 36 3.946 3.946 4.140 -0.194 25958 855 1 3 . 1 1 36 36 THR C C 36 176.029 176.029 176.461 -0.432 25958 856 1 3 . 1 1 36 36 THR CA C 36 66.606 66.606 66.962 -0.356 25958 857 1 3 . 1 1 36 36 THR CB C 36 68.598 68.598 68.459 0.139 25958 858 1 3 . 1 1 36 36 THR H H 36 7.138 7.138 7.745 -0.607 25958 859 1 3 . 1 1 37 37 ILE N N 37 122.903 122.903 121.222 1.681 25958 860 1 3 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.878 -0.316 25958 861 1 3 . 1 1 37 37 ILE C C 37 177.685 177.685 177.592 0.093 25958 862 1 3 . 1 1 37 37 ILE CA C 37 65.667 65.667 62.557 3.110 25958 863 1 3 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.314 1.890 25958 864 1 3 . 1 1 37 37 ILE H H 37 7.193 7.193 7.954 -0.760 25958 865 1 3 . 1 1 38 38 GLU N N 38 118.719 118.719 121.438 -2.719 25958 866 1 3 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.961 0.088 25958 867 1 3 . 1 1 38 38 GLU C C 38 179.575 179.575 179.058 0.517 25958 868 1 3 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.358 -0.613 25958 869 1 3 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.639 -0.198 25958 870 1 3 . 1 1 38 38 GLU H H 38 8.578 8.578 8.931 -0.353 25958 871 1 3 . 1 1 39 39 THR N N 39 116.297 116.297 116.201 0.096 25958 872 1 3 . 1 1 39 39 THR HA H 39 3.936 3.936 4.002 -0.066 25958 873 1 3 . 1 1 39 39 THR C C 39 176.203 176.203 176.516 -0.313 25958 874 1 3 . 1 1 39 39 THR CA C 39 66.989 66.989 66.787 0.202 25958 875 1 3 . 1 1 39 39 THR CB C 39 68.845 68.845 68.534 0.311 25958 876 1 3 . 1 1 39 39 THR H H 39 8.124 8.124 7.814 0.310 25958 877 1 3 . 1 1 40 40 TYR N N 40 123.453 123.453 123.387 0.066 25958 878 1 3 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.027 0.196 25958 879 1 3 . 1 1 40 40 TYR C C 40 178.058 178.058 177.356 0.702 25958 880 1 3 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.148 -0.246 25958 881 1 3 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.552 0.031 25958 882 1 3 . 1 1 40 40 TYR H H 40 7.730 7.730 8.168 -0.438 25958 883 1 3 . 1 1 41 41 ARG N N 41 119.944 119.944 117.173 2.771 25958 884 1 3 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.989 -0.187 25958 885 1 3 . 1 1 41 41 ARG C C 41 179.552 179.552 178.943 0.609 25958 886 1 3 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.747 0.740 25958 887 1 3 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.592 0.486 25958 888 1 3 . 1 1 41 41 ARG H H 41 8.635 8.635 8.678 -0.043 25958 889 1 3 . 1 1 42 42 GLN N N 42 119.455 119.455 120.186 -0.731 25958 890 1 3 . 1 1 42 42 GLN HA H 42 4.083 4.083 4.109 -0.026 25958 891 1 3 . 1 1 42 42 GLN C C 42 178.700 178.700 178.432 0.268 25958 892 1 3 . 1 1 42 42 GLN CA C 42 58.828 58.828 58.994 -0.166 25958 893 1 3 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.542 -0.190 25958 894 1 3 . 1 1 42 42 GLN H H 42 8.225 8.225 8.227 -0.002 25958 895 1 3 . 1 1 43 43 GLN N N 43 118.905 118.905 119.611 -0.706 25958 896 1 3 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.891 0.197 25958 897 1 3 . 1 1 43 43 GLN C C 43 178.664 178.664 178.469 0.195 25958 898 1 3 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.240 -0.893 25958 899 1 3 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.395 -0.216 25958 900 1 3 . 1 1 43 43 GLN H H 43 7.894 7.894 8.280 -0.386 25958 901 1 3 . 1 1 44 44 GLN N N 44 117.762 117.762 118.049 -0.287 25958 902 1 3 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.887 0.060 25958 903 1 3 . 1 1 44 44 GLN C C 44 178.320 178.320 178.430 -0.110 25958 904 1 3 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.677 -1.392 25958 905 1 3 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.270 -0.109 25958 906 1 3 . 1 1 44 44 GLN H H 44 8.034 8.034 8.070 -0.036 25958 907 1 3 . 1 1 45 45 GLN N N 45 119.382 119.382 119.945 -0.563 25958 908 1 3 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.965 0.226 25958 909 1 3 . 1 1 45 45 GLN C C 45 177.742 177.742 178.445 -0.703 25958 910 1 3 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.978 -0.807 25958 911 1 3 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.565 -0.072 25958 912 1 3 . 1 1 45 45 GLN H H 45 7.997 7.997 7.883 0.114 25958 913 1 3 . 1 1 46 46 GLN N N 46 118.664 118.664 119.647 -0.983 25958 914 1 3 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.999 0.197 25958 915 1 3 . 1 1 46 46 GLN C C 46 177.540 177.540 178.240 -0.700 25958 916 1 3 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.966 -1.281 25958 917 1 3 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.523 0.220 25958 918 1 3 . 1 1 46 46 GLN H H 46 7.870 7.870 8.567 -0.697 25958 919 1 3 . 1 1 47 47 GLN N N 47 118.622 118.622 118.113 0.509 25958 920 1 3 . 1 1 47 47 GLN C C 47 177.073 177.073 177.892 -0.819 25958 921 1 3 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.964 -1.636 25958 922 1 3 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.517 0.408 25958 923 1 3 . 1 1 47 47 GLN H H 47 8.043 8.043 7.763 0.280 25958 924 1 3 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.369 0.204 25958 925 1 3 . 1 1 48 48 HIS C C 48 176.277 176.277 177.811 -1.534 25958 926 1 3 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.356 -1.443 25958 927 1 3 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.242 -0.023 25958 928 1 3 . 1 1 49 49 GLN N N 49 119.554 119.554 117.609 1.945 25958 929 1 3 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.973 0.242 25958 930 1 3 . 1 1 49 49 GLN C C 49 176.896 176.896 178.398 -1.502 25958 931 1 3 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.696 -1.151 25958 932 1 3 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.191 0.683 25958 933 1 3 . 1 1 49 49 GLN H H 49 8.117 8.117 7.970 0.147 25958 934 1 3 . 1 1 50 50 HIS N N 50 118.665 118.665 118.045 0.620 25958 935 1 3 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.270 0.278 25958 936 1 3 . 1 1 50 50 HIS C C 50 176.265 176.265 177.865 -1.600 25958 937 1 3 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.822 -1.522 25958 938 1 3 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.086 0.103 25958 939 1 3 . 1 1 50 50 HIS H H 50 8.138 8.138 8.042 0.096 25958 940 1 3 . 1 1 51 51 LEU N N 51 121.208 121.208 120.542 0.666 25958 941 1 3 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.169 0.001 25958 942 1 3 . 1 1 51 51 LEU C C 51 177.627 177.627 178.128 -0.501 25958 943 1 3 . 1 1 51 51 LEU CA C 51 56.203 56.203 56.968 -0.765 25958 944 1 3 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.754 0.390 25958 945 1 3 . 1 1 51 51 LEU H H 51 7.809 7.809 7.719 0.090 25958 946 1 3 . 1 1 52 52 LEU N N 52 120.700 120.700 119.518 1.182 25958 947 1 3 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.113 0.065 25958 948 1 3 . 1 1 52 52 LEU C C 52 177.799 177.799 176.600 1.199 25958 949 1 3 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.276 0.717 25958 950 1 3 . 1 1 52 52 LEU CB C 52 42.118 42.118 41.733 0.385 25958 951 1 3 . 1 1 52 52 LEU H H 52 7.924 7.924 7.521 0.403 25958 952 1 3 . 1 1 53 53 GLN N N 53 119.631 119.631 117.120 2.511 25958 953 1 3 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.844 0.371 25958 954 1 3 . 1 1 53 53 GLN C C 53 176.327 176.327 175.457 0.870 25958 955 1 3 . 1 1 53 53 GLN CA C 53 56.492 56.492 57.016 -0.524 25958 956 1 3 . 1 1 53 53 GLN CB C 53 29.202 29.202 26.152 3.050 25958 957 1 3 . 1 1 53 53 GLN H H 53 7.986 7.986 7.860 0.126 25958 958 1 3 . 1 1 54 54 LYS N N 54 121.278 121.278 117.584 3.694 25958 959 1 3 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.366 -0.139 25958 960 1 3 . 1 1 54 54 LYS C C 54 176.812 176.812 175.057 1.755 25958 961 1 3 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.503 0.177 25958 962 1 3 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.860 -0.962 25958 963 1 3 . 1 1 54 54 LYS H H 54 8.053 8.053 8.484 -0.431 25958 964 1 3 . 1 1 55 55 GLN N N 55 120.539 120.539 117.717 2.822 25958 965 1 3 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.621 -0.299 25958 966 1 3 . 1 1 55 55 GLN C C 55 176.291 176.291 175.982 0.309 25958 967 1 3 . 1 1 55 55 GLN CA C 55 56.199 56.199 54.783 1.416 25958 968 1 3 . 1 1 55 55 GLN CB C 55 29.392 29.392 31.129 -1.737 25958 969 1 3 . 1 1 55 55 GLN H H 55 8.249 8.249 7.560 0.689 25958 970 1 3 . 1 1 56 56 THR N N 56 114.334 114.334 112.259 2.075 25958 971 1 3 . 1 1 56 56 THR HA H 56 4.347 4.347 4.448 -0.101 25958 972 1 3 . 1 1 56 56 THR C C 56 174.526 174.526 175.197 -0.671 25958 973 1 3 . 1 1 56 56 THR CA C 56 62.075 62.075 62.517 -0.442 25958 974 1 3 . 1 1 56 56 THR CB C 56 69.852 69.852 69.749 0.103 25958 975 1 3 . 1 1 56 56 THR H H 56 8.063 8.063 8.694 -0.631 25958 976 1 3 . 1 1 57 57 SER N N 57 117.856 117.856 113.889 3.967 25958 977 1 3 . 1 1 57 57 SER HA H 57 4.502 4.502 4.566 -0.064 25958 978 1 3 . 1 1 57 57 SER C C 57 174.275 174.275 173.999 0.276 25958 979 1 3 . 1 1 57 57 SER CA C 57 58.405 58.405 57.368 1.037 25958 980 1 3 . 1 1 57 57 SER CB C 57 63.949 63.949 64.034 -0.085 25958 981 1 3 . 1 1 57 57 SER H H 57 8.163 8.163 7.550 0.613 25958 982 1 3 . 1 1 58 58 ILE N N 58 122.144 122.144 120.873 1.271 25958 983 1 3 . 1 1 58 58 ILE HA H 58 4.194 4.194 3.980 0.214 25958 984 1 3 . 1 1 58 58 ILE C C 58 176.006 176.006 174.820 1.186 25958 985 1 3 . 1 1 58 58 ILE CA C 58 61.275 61.275 63.407 -2.132 25958 986 1 3 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.227 0.593 25958 987 1 3 . 1 1 58 58 ILE H H 58 8.049 8.049 8.416 -0.367 25958 988 1 3 . 1 1 59 59 GLN N N 59 124.842 124.842 118.763 6.079 25958 989 1 3 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.757 -0.341 25958 990 1 3 . 1 1 59 59 GLN C C 59 174.974 174.974 174.230 0.744 25958 991 1 3 . 1 1 59 59 GLN CA C 59 55.845 55.845 54.979 0.866 25958 992 1 3 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.777 -2.029 25958 993 1 3 . 1 1 59 59 GLN H H 59 8.327 8.327 7.748 0.579 25958 994 1 4 . 1 1 2 2 ASP N N 2 121.276 121.276 121.879 -0.603 25958 995 1 4 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.584 0.099 25958 996 1 4 . 1 1 2 2 ASP C C 2 175.828 175.828 176.444 -0.616 25958 997 1 4 . 1 1 2 2 ASP CA C 2 54.685 54.685 54.927 -0.242 25958 998 1 4 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.268 -0.294 25958 999 1 4 . 1 1 2 2 ASP H H 2 8.555 8.555 8.523 0.032 25958 1000 1 4 . 1 1 3 3 ASP N N 3 119.296 119.296 119.194 0.102 25958 1001 1 4 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.583 -0.003 25958 1002 1 4 . 1 1 3 3 ASP C C 3 175.884 175.884 176.239 -0.355 25958 1003 1 4 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.898 -0.779 25958 1004 1 4 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.421 -0.116 25958 1005 1 4 . 1 1 3 3 ASP H H 3 8.004 8.004 8.155 -0.151 25958 1006 1 4 . 1 1 4 4 GLU N N 4 120.922 120.922 118.381 2.541 25958 1007 1 4 . 1 1 4 4 GLU HA H 4 4.135 4.135 3.935 0.200 25958 1008 1 4 . 1 1 4 4 GLU C C 4 174.979 174.979 174.939 0.040 25958 1009 1 4 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.668 0.203 25958 1010 1 4 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.707 1.073 25958 1011 1 4 . 1 1 4 4 GLU H H 4 7.945 7.945 8.076 -0.131 25958 1012 1 4 . 1 1 5 5 LEU N N 5 124.551 124.551 124.016 0.535 25958 1013 1 4 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.302 0.237 25958 1014 1 4 . 1 1 5 5 LEU C C 5 175.305 175.305 175.859 -0.554 25958 1015 1 4 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.673 0.198 25958 1016 1 4 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.911 0.930 25958 1017 1 4 . 1 1 5 5 LEU H H 5 8.042 8.042 8.361 -0.319 25958 1018 1 4 . 1 1 6 6 LEU N N 6 127.945 127.945 126.120 1.825 25958 1019 1 4 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.155 0.357 25958 1020 1 4 . 1 1 6 6 LEU C C 6 174.919 174.919 176.053 -1.134 25958 1021 1 4 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.921 -0.404 25958 1022 1 4 . 1 1 6 6 LEU CB C 6 45.589 45.589 42.857 2.732 25958 1023 1 4 . 1 1 6 6 LEU H H 6 8.799 8.799 7.784 1.015 25958 1024 1 4 . 1 1 7 7 TYR N N 7 117.176 117.176 119.379 -2.203 25958 1025 1 4 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.766 0.391 25958 1026 1 4 . 1 1 7 7 TYR C C 7 175.335 175.335 174.891 0.444 25958 1027 1 4 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.543 -0.111 25958 1028 1 4 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.118 0.826 25958 1029 1 4 . 1 1 7 7 TYR H H 7 8.583 8.583 8.127 0.456 25958 1030 1 4 . 1 1 8 8 LEU N N 8 128.094 128.094 126.783 1.311 25958 1031 1 4 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.901 0.251 25958 1032 1 4 . 1 1 8 8 LEU C C 8 173.946 173.946 174.718 -0.772 25958 1033 1 4 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.414 -0.796 25958 1034 1 4 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.997 2.415 25958 1035 1 4 . 1 1 8 8 LEU H H 8 9.308 9.308 8.585 0.723 25958 1036 1 4 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.809 -0.282 25958 1037 1 4 . 1 1 9 9 PRO C C 9 176.758 176.758 175.693 1.065 25958 1038 1 4 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.810 -0.720 25958 1039 1 4 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.847 0.026 25958 1040 1 4 . 1 1 10 10 VAL N N 10 124.047 124.047 124.064 -0.017 25958 1041 1 4 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.416 -0.207 25958 1042 1 4 . 1 1 10 10 VAL C C 10 173.446 173.446 175.003 -1.557 25958 1043 1 4 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.138 0.480 25958 1044 1 4 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.416 0.253 25958 1045 1 4 . 1 1 10 10 VAL H H 10 9.193 9.193 8.223 0.970 25958 1046 1 4 . 1 1 11 11 ARG N N 11 127.433 127.433 122.774 4.659 25958 1047 1 4 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.747 -0.048 25958 1048 1 4 . 1 1 11 11 ARG C C 11 176.092 176.092 175.062 1.030 25958 1049 1 4 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.940 -0.573 25958 1050 1 4 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.597 0.008 25958 1051 1 4 . 1 1 11 11 ARG H H 11 9.053 9.053 8.726 0.327 25958 1052 1 4 . 1 1 12 12 GLY N N 12 115.279 115.279 112.369 2.910 25958 1053 1 4 . 1 1 12 12 GLY C C 12 173.823 173.823 173.558 0.265 25958 1054 1 4 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.494 -0.543 25958 1055 1 4 . 1 1 12 12 GLY H H 12 8.614 8.614 8.046 0.568 25958 1056 1 4 . 1 1 13 13 ARG N N 13 125.500 125.500 123.586 1.914 25958 1057 1 4 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.099 -0.247 25958 1058 1 4 . 1 1 13 13 ARG C C 13 177.793 177.793 177.900 -0.107 25958 1059 1 4 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.660 0.544 25958 1060 1 4 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.328 -0.561 25958 1061 1 4 . 1 1 13 13 ARG H H 13 8.774 8.774 8.692 0.082 25958 1062 1 4 . 1 1 14 14 GLU N N 14 119.254 119.254 118.028 1.226 25958 1063 1 4 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.107 -0.025 25958 1064 1 4 . 1 1 14 14 GLU C C 14 179.794 179.794 178.741 1.053 25958 1065 1 4 . 1 1 14 14 GLU CA C 14 60.362 60.362 60.193 0.169 25958 1066 1 4 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.769 0.190 25958 1067 1 4 . 1 1 14 14 GLU H H 14 8.888 8.888 8.873 0.015 25958 1068 1 4 . 1 1 15 15 THR N N 15 117.699 117.699 115.947 1.752 25958 1069 1 4 . 1 1 15 15 THR HA H 15 3.784 3.784 4.116 -0.332 25958 1070 1 4 . 1 1 15 15 THR C C 15 175.457 175.457 176.168 -0.711 25958 1071 1 4 . 1 1 15 15 THR CA C 15 66.498 66.498 66.414 0.084 25958 1072 1 4 . 1 1 15 15 THR CB C 15 67.813 67.813 68.312 -0.499 25958 1073 1 4 . 1 1 15 15 THR H H 15 7.958 7.958 8.164 -0.206 25958 1074 1 4 . 1 1 16 16 TYR N N 16 122.365 122.365 123.107 -0.742 25958 1075 1 4 . 1 1 16 16 TYR HA H 16 3.742 3.742 3.991 -0.249 25958 1076 1 4 . 1 1 16 16 TYR C C 16 175.895 175.895 177.463 -1.568 25958 1077 1 4 . 1 1 16 16 TYR CA C 16 63.096 63.096 62.059 1.037 25958 1078 1 4 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.559 0.665 25958 1079 1 4 . 1 1 16 16 TYR H H 16 8.042 8.042 8.404 -0.362 25958 1080 1 4 . 1 1 17 17 GLU N N 17 116.940 116.940 118.789 -1.849 25958 1081 1 4 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.787 0.040 25958 1082 1 4 . 1 1 17 17 GLU C C 17 179.448 179.448 178.886 0.562 25958 1083 1 4 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.539 0.340 25958 1084 1 4 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.486 -0.241 25958 1085 1 4 . 1 1 17 17 GLU H H 17 8.713 8.713 8.367 0.346 25958 1086 1 4 . 1 1 18 18 MET N N 18 118.965 118.965 120.062 -1.097 25958 1087 1 4 . 1 1 18 18 MET HA H 18 4.291 4.291 4.075 0.216 25958 1088 1 4 . 1 1 18 18 MET C C 18 178.050 178.050 178.417 -0.367 25958 1089 1 4 . 1 1 18 18 MET CA C 18 58.815 58.815 59.161 -0.346 25958 1090 1 4 . 1 1 18 18 MET CB C 18 32.736 32.736 32.742 -0.006 25958 1091 1 4 . 1 1 18 18 MET H H 18 7.505 7.505 7.791 -0.286 25958 1092 1 4 . 1 1 19 19 LEU N N 19 117.499 117.499 119.552 -2.053 25958 1093 1 4 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.965 -0.142 25958 1094 1 4 . 1 1 19 19 LEU C C 19 178.443 178.443 179.291 -0.848 25958 1095 1 4 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.190 -0.629 25958 1096 1 4 . 1 1 19 19 LEU CB C 19 41.755 41.755 40.994 0.761 25958 1097 1 4 . 1 1 19 19 LEU H H 19 8.151 8.151 8.271 -0.120 25958 1098 1 4 . 1 1 20 20 LEU N N 20 120.873 120.873 120.522 0.351 25958 1099 1 4 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.721 0.043 25958 1100 1 4 . 1 1 20 20 LEU C C 20 178.475 178.475 178.358 0.117 25958 1101 1 4 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.123 0.579 25958 1102 1 4 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.505 0.360 25958 1103 1 4 . 1 1 20 20 LEU H H 20 8.649 8.649 8.489 0.160 25958 1104 1 4 . 1 1 21 21 GLU N N 21 118.433 118.433 119.959 -1.526 25958 1105 1 4 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.946 0.115 25958 1106 1 4 . 1 1 21 21 GLU C C 21 179.572 179.572 179.160 0.412 25958 1107 1 4 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.600 0.100 25958 1108 1 4 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.590 -0.296 25958 1109 1 4 . 1 1 21 21 GLU H H 21 7.379 7.379 8.278 -0.899 25958 1110 1 4 . 1 1 22 22 ILE N N 22 116.978 116.978 120.260 -3.282 25958 1111 1 4 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.844 -0.129 25958 1112 1 4 . 1 1 22 22 ILE C C 22 177.909 177.909 178.099 -0.190 25958 1113 1 4 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.015 -0.495 25958 1114 1 4 . 1 1 22 22 ILE CB C 22 37.912 37.912 38.147 -0.235 25958 1115 1 4 . 1 1 22 22 ILE H H 22 7.649 7.649 8.228 -0.579 25958 1116 1 4 . 1 1 23 23 LYS N N 23 122.631 122.631 120.476 2.155 25958 1117 1 4 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.894 -0.186 25958 1118 1 4 . 1 1 23 23 LYS C C 23 177.322 177.322 178.506 -1.184 25958 1119 1 4 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.568 0.975 25958 1120 1 4 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.864 0.631 25958 1121 1 4 . 1 1 23 23 LYS H H 23 9.094 9.094 8.065 1.029 25958 1122 1 4 . 1 1 24 24 GLU N N 24 117.756 117.756 119.784 -2.028 25958 1123 1 4 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.978 0.263 25958 1124 1 4 . 1 1 24 24 GLU C C 24 177.755 177.755 179.049 -1.294 25958 1125 1 4 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.817 -0.050 25958 1126 1 4 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.604 0.163 25958 1127 1 4 . 1 1 24 24 GLU H H 24 8.320 8.320 8.634 -0.314 25958 1128 1 4 . 1 1 25 25 SER N N 25 114.010 114.010 115.708 -1.698 25958 1129 1 4 . 1 1 25 25 SER HA H 25 4.174 4.174 4.176 -0.002 25958 1130 1 4 . 1 1 25 25 SER C C 25 175.840 175.840 176.934 -1.094 25958 1131 1 4 . 1 1 25 25 SER CA C 25 62.272 62.272 61.885 0.387 25958 1132 1 4 . 1 1 25 25 SER CB C 25 63.277 63.277 62.934 0.343 25958 1133 1 4 . 1 1 25 25 SER H H 25 7.425 7.425 7.807 -0.382 25958 1134 1 4 . 1 1 26 26 LEU N N 26 122.202 122.202 123.457 -1.255 25958 1135 1 4 . 1 1 26 26 LEU HA H 26 4.045 4.045 3.965 0.080 25958 1136 1 4 . 1 1 26 26 LEU C C 26 180.418 180.418 179.196 1.222 25958 1137 1 4 . 1 1 26 26 LEU CA C 26 57.999 57.999 58.157 -0.158 25958 1138 1 4 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.746 0.964 25958 1139 1 4 . 1 1 26 26 LEU H H 26 7.625 7.625 8.450 -0.825 25958 1140 1 4 . 1 1 27 27 GLU N N 27 118.591 118.591 119.429 -0.838 25958 1141 1 4 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.968 0.111 25958 1142 1 4 . 1 1 27 27 GLU C C 27 180.128 180.128 179.432 0.696 25958 1143 1 4 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.514 0.122 25958 1144 1 4 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.767 -0.210 25958 1145 1 4 . 1 1 27 27 GLU H H 27 8.593 8.593 8.121 0.472 25958 1146 1 4 . 1 1 28 28 LEU N N 28 119.793 119.793 121.421 -1.628 25958 1147 1 4 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.147 -0.180 25958 1148 1 4 . 1 1 28 28 LEU C C 28 178.567 178.567 179.053 -0.486 25958 1149 1 4 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.056 -0.767 25958 1150 1 4 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.302 0.545 25958 1151 1 4 . 1 1 28 28 LEU H H 28 8.468 8.468 8.327 0.141 25958 1152 1 4 . 1 1 29 29 MET N N 29 115.804 115.804 118.197 -2.393 25958 1153 1 4 . 1 1 29 29 MET HA H 29 3.928 3.928 3.992 -0.064 25958 1154 1 4 . 1 1 29 29 MET C C 29 177.907 177.907 178.193 -0.286 25958 1155 1 4 . 1 1 29 29 MET CA C 29 58.463 58.463 59.101 -0.638 25958 1156 1 4 . 1 1 29 29 MET CB C 29 33.047 33.047 32.217 0.830 25958 1157 1 4 . 1 1 29 29 MET H H 29 7.279 7.279 8.187 -0.908 25958 1158 1 4 . 1 1 30 30 GLN N N 30 114.048 114.048 118.199 -4.151 25958 1159 1 4 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.027 0.093 25958 1160 1 4 . 1 1 30 30 GLN C C 30 176.520 176.520 178.143 -1.623 25958 1161 1 4 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.441 -1.506 25958 1162 1 4 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.790 -0.448 25958 1163 1 4 . 1 1 30 30 GLN H H 30 7.138 7.138 7.576 -0.438 25958 1164 1 4 . 1 1 31 31 TYR N N 31 117.000 117.000 117.169 -0.169 25958 1165 1 4 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.385 0.098 25958 1166 1 4 . 1 1 31 31 TYR C C 31 176.095 176.095 176.064 0.031 25958 1167 1 4 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.754 -2.329 25958 1168 1 4 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.769 -1.277 25958 1169 1 4 . 1 1 31 31 TYR H H 31 7.764 7.764 8.123 -0.359 25958 1170 1 4 . 1 1 32 32 LEU N N 32 120.517 120.517 118.353 2.164 25958 1171 1 4 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.998 -2.092 25958 1172 1 4 . 1 1 32 32 LEU C C 32 174.141 174.141 175.253 -1.112 25958 1173 1 4 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.856 0.481 25958 1174 1 4 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.610 0.659 25958 1175 1 4 . 1 1 32 32 LEU H H 32 7.368 7.368 8.401 -1.033 25958 1176 1 4 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.303 0.244 25958 1177 1 4 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.148 3.139 25958 1178 1 4 . 1 1 35 35 HIS N N 35 124.090 124.090 119.616 4.474 25958 1179 1 4 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.229 0.243 25958 1180 1 4 . 1 1 35 35 HIS C C 35 177.836 177.836 177.462 0.374 25958 1181 1 4 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.112 -0.746 25958 1182 1 4 . 1 1 35 35 HIS CB C 35 29.512 29.512 30.041 -0.530 25958 1183 1 4 . 1 1 35 35 HIS H H 35 8.869 8.869 8.821 0.048 25958 1184 1 4 . 1 1 36 36 THR N N 36 119.182 119.182 114.894 4.288 25958 1185 1 4 . 1 1 36 36 THR HA H 36 3.946 3.946 4.068 -0.122 25958 1186 1 4 . 1 1 36 36 THR C C 36 176.029 176.029 176.298 -0.269 25958 1187 1 4 . 1 1 36 36 THR CA C 36 66.606 66.606 66.850 -0.244 25958 1188 1 4 . 1 1 36 36 THR CB C 36 68.598 68.598 68.509 0.089 25958 1189 1 4 . 1 1 36 36 THR H H 36 7.138 7.138 7.770 -0.632 25958 1190 1 4 . 1 1 37 37 ILE N N 37 122.903 122.903 120.939 1.964 25958 1191 1 4 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.958 -0.396 25958 1192 1 4 . 1 1 37 37 ILE C C 37 177.685 177.685 177.806 -0.121 25958 1193 1 4 . 1 1 37 37 ILE CA C 37 65.667 65.667 62.923 2.744 25958 1194 1 4 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.521 1.683 25958 1195 1 4 . 1 1 37 37 ILE H H 37 7.193 7.193 8.003 -0.810 25958 1196 1 4 . 1 1 38 38 GLU N N 38 118.719 118.719 120.565 -1.846 25958 1197 1 4 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.990 0.059 25958 1198 1 4 . 1 1 38 38 GLU C C 38 179.575 179.575 179.257 0.318 25958 1199 1 4 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.139 -0.394 25958 1200 1 4 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.642 -0.201 25958 1201 1 4 . 1 1 38 38 GLU H H 38 8.578 8.578 8.917 -0.339 25958 1202 1 4 . 1 1 39 39 THR N N 39 116.297 116.297 116.792 -0.495 25958 1203 1 4 . 1 1 39 39 THR HA H 39 3.936 3.936 4.107 -0.171 25958 1204 1 4 . 1 1 39 39 THR C C 39 176.203 176.203 176.431 -0.228 25958 1205 1 4 . 1 1 39 39 THR CA C 39 66.989 66.989 66.843 0.146 25958 1206 1 4 . 1 1 39 39 THR CB C 39 68.845 68.845 68.658 0.187 25958 1207 1 4 . 1 1 39 39 THR H H 39 8.124 8.124 7.754 0.370 25958 1208 1 4 . 1 1 40 40 TYR N N 40 123.453 123.453 123.019 0.434 25958 1209 1 4 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.207 0.016 25958 1210 1 4 . 1 1 40 40 TYR C C 40 178.058 178.058 177.374 0.684 25958 1211 1 4 . 1 1 40 40 TYR CA C 40 61.902 61.902 60.589 1.313 25958 1212 1 4 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.169 0.414 25958 1213 1 4 . 1 1 40 40 TYR H H 40 7.730 7.730 8.308 -0.578 25958 1214 1 4 . 1 1 41 41 ARG N N 41 119.944 119.944 119.200 0.744 25958 1215 1 4 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.771 0.031 25958 1216 1 4 . 1 1 41 41 ARG C C 41 179.552 179.552 178.609 0.943 25958 1217 1 4 . 1 1 41 41 ARG CA C 41 60.487 60.487 58.890 1.597 25958 1218 1 4 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.630 0.448 25958 1219 1 4 . 1 1 41 41 ARG H H 41 8.635 8.635 8.577 0.058 25958 1220 1 4 . 1 1 42 42 GLN N N 42 119.455 119.455 119.310 0.145 25958 1221 1 4 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.962 0.121 25958 1222 1 4 . 1 1 42 42 GLN C C 42 178.700 178.700 178.401 0.299 25958 1223 1 4 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.100 -0.272 25958 1224 1 4 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.675 -0.324 25958 1225 1 4 . 1 1 42 42 GLN H H 42 8.225 8.225 7.929 0.296 25958 1226 1 4 . 1 1 43 43 GLN N N 43 118.905 118.905 119.405 -0.500 25958 1227 1 4 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.904 0.184 25958 1228 1 4 . 1 1 43 43 GLN C C 43 178.664 178.664 178.306 0.358 25958 1229 1 4 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.383 -1.036 25958 1230 1 4 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.704 -0.525 25958 1231 1 4 . 1 1 43 43 GLN H H 43 7.894 7.894 8.441 -0.547 25958 1232 1 4 . 1 1 44 44 GLN N N 44 117.762 117.762 118.821 -1.059 25958 1233 1 4 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.023 -0.076 25958 1234 1 4 . 1 1 44 44 GLN C C 44 178.320 178.320 178.189 0.131 25958 1235 1 4 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.562 -1.277 25958 1236 1 4 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.067 0.094 25958 1237 1 4 . 1 1 44 44 GLN H H 44 8.034 8.034 7.969 0.065 25958 1238 1 4 . 1 1 45 45 GLN N N 45 119.382 119.382 120.346 -0.964 25958 1239 1 4 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.905 0.286 25958 1240 1 4 . 1 1 45 45 GLN C C 45 177.742 177.742 178.471 -0.729 25958 1241 1 4 . 1 1 45 45 GLN CA C 45 58.171 58.171 59.376 -1.205 25958 1242 1 4 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.502 -0.009 25958 1243 1 4 . 1 1 45 45 GLN H H 45 7.997 7.997 7.896 0.101 25958 1244 1 4 . 1 1 46 46 GLN N N 46 118.664 118.664 119.515 -0.851 25958 1245 1 4 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.020 0.176 25958 1246 1 4 . 1 1 46 46 GLN C C 46 177.540 177.540 178.701 -1.161 25958 1247 1 4 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.820 -1.135 25958 1248 1 4 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.323 0.420 25958 1249 1 4 . 1 1 46 46 GLN H H 46 7.870 7.870 8.449 -0.579 25958 1250 1 4 . 1 1 47 47 GLN N N 47 118.622 118.622 120.321 -1.699 25958 1251 1 4 . 1 1 47 47 GLN C C 47 177.073 177.073 178.482 -1.409 25958 1252 1 4 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.348 -2.020 25958 1253 1 4 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.702 0.223 25958 1254 1 4 . 1 1 47 47 GLN H H 47 8.043 8.043 8.638 -0.595 25958 1255 1 4 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.256 0.317 25958 1256 1 4 . 1 1 48 48 HIS C C 48 176.277 176.277 177.470 -1.193 25958 1257 1 4 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.643 -1.730 25958 1258 1 4 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.109 0.110 25958 1259 1 4 . 1 1 49 49 GLN N N 49 119.554 119.554 120.046 -0.492 25958 1260 1 4 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.986 0.229 25958 1261 1 4 . 1 1 49 49 GLN C C 49 176.896 176.896 178.057 -1.161 25958 1262 1 4 . 1 1 49 49 GLN CA C 49 57.545 57.545 59.468 -1.923 25958 1263 1 4 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.801 0.073 25958 1264 1 4 . 1 1 49 49 GLN H H 49 8.117 8.117 8.740 -0.623 25958 1265 1 4 . 1 1 50 50 HIS N N 50 118.665 118.665 118.425 0.240 25958 1266 1 4 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.329 0.219 25958 1267 1 4 . 1 1 50 50 HIS C C 50 176.265 176.265 176.313 -0.048 25958 1268 1 4 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.194 -0.894 25958 1269 1 4 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.248 -0.059 25958 1270 1 4 . 1 1 50 50 HIS H H 50 8.138 8.138 8.372 -0.234 25958 1271 1 4 . 1 1 51 51 LEU N N 51 121.208 121.208 119.702 1.506 25958 1272 1 4 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.200 -0.030 25958 1273 1 4 . 1 1 51 51 LEU C C 51 177.627 177.627 177.493 0.134 25958 1274 1 4 . 1 1 51 51 LEU CA C 51 56.203 56.203 56.441 -0.238 25958 1275 1 4 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.413 -0.269 25958 1276 1 4 . 1 1 51 51 LEU H H 51 7.809 7.809 7.338 0.471 25958 1277 1 4 . 1 1 52 52 LEU N N 52 120.700 120.700 119.275 1.425 25958 1278 1 4 . 1 1 52 52 LEU HA H 52 4.178 4.178 3.978 0.200 25958 1279 1 4 . 1 1 52 52 LEU C C 52 177.799 177.799 177.977 -0.178 25958 1280 1 4 . 1 1 52 52 LEU CA C 52 55.993 55.993 57.134 -1.141 25958 1281 1 4 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.401 -0.283 25958 1282 1 4 . 1 1 52 52 LEU H H 52 7.924 7.924 8.187 -0.263 25958 1283 1 4 . 1 1 53 53 GLN N N 53 119.631 119.631 114.756 4.875 25958 1284 1 4 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.917 0.298 25958 1285 1 4 . 1 1 53 53 GLN C C 53 176.327 176.327 174.526 1.801 25958 1286 1 4 . 1 1 53 53 GLN CA C 53 56.492 56.492 57.325 -0.833 25958 1287 1 4 . 1 1 53 53 GLN CB C 53 29.202 29.202 27.856 1.346 25958 1288 1 4 . 1 1 53 53 GLN H H 53 7.986 7.986 8.168 -0.182 25958 1289 1 4 . 1 1 54 54 LYS N N 54 121.278 121.278 117.103 4.175 25958 1290 1 4 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.499 -0.272 25958 1291 1 4 . 1 1 54 54 LYS C C 54 176.812 176.812 175.967 0.845 25958 1292 1 4 . 1 1 54 54 LYS CA C 54 56.680 56.680 55.208 1.472 25958 1293 1 4 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.317 -0.419 25958 1294 1 4 . 1 1 54 54 LYS H H 54 8.053 8.053 7.842 0.211 25958 1295 1 4 . 1 1 55 55 GLN N N 55 120.539 120.539 120.534 0.005 25958 1296 1 4 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.212 0.110 25958 1297 1 4 . 1 1 55 55 GLN C C 55 176.291 176.291 176.767 -0.476 25958 1298 1 4 . 1 1 55 55 GLN CA C 55 56.199 56.199 57.008 -0.809 25958 1299 1 4 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.206 0.186 25958 1300 1 4 . 1 1 55 55 GLN H H 55 8.249 8.249 8.736 -0.487 25958 1301 1 4 . 1 1 56 56 THR N N 56 114.334 114.334 115.239 -0.905 25958 1302 1 4 . 1 1 56 56 THR HA H 56 4.347 4.347 4.204 0.143 25958 1303 1 4 . 1 1 56 56 THR C C 56 174.526 174.526 173.308 1.218 25958 1304 1 4 . 1 1 56 56 THR CA C 56 62.075 62.075 62.368 -0.293 25958 1305 1 4 . 1 1 56 56 THR CB C 56 69.852 69.852 68.747 1.105 25958 1306 1 4 . 1 1 56 56 THR H H 56 8.063 8.063 7.966 0.097 25958 1307 1 4 . 1 1 57 57 SER N N 57 117.856 117.856 117.664 0.192 25958 1308 1 4 . 1 1 57 57 SER HA H 57 4.502 4.502 4.716 -0.214 25958 1309 1 4 . 1 1 57 57 SER C C 57 174.275 174.275 174.665 -0.390 25958 1310 1 4 . 1 1 57 57 SER CA C 57 58.405 58.405 57.388 1.018 25958 1311 1 4 . 1 1 57 57 SER CB C 57 63.949 63.949 64.341 -0.392 25958 1312 1 4 . 1 1 57 57 SER H H 57 8.163 8.163 7.890 0.273 25958 1313 1 4 . 1 1 58 58 ILE N N 58 122.144 122.144 121.188 0.956 25958 1314 1 4 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.105 0.089 25958 1315 1 4 . 1 1 58 58 ILE C C 58 176.006 176.006 176.498 -0.492 25958 1316 1 4 . 1 1 58 58 ILE CA C 58 61.275 61.275 62.718 -1.443 25958 1317 1 4 . 1 1 58 58 ILE CB C 58 38.820 38.820 37.791 1.028 25958 1318 1 4 . 1 1 58 58 ILE H H 58 8.049 8.049 8.231 -0.182 25958 1319 1 4 . 1 1 59 59 GLN N N 59 124.842 124.842 118.661 6.181 25958 1320 1 4 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.689 -0.273 25958 1321 1 4 . 1 1 59 59 GLN C C 59 174.974 174.974 174.845 0.129 25958 1322 1 4 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.057 0.788 25958 1323 1 4 . 1 1 59 59 GLN CB C 59 29.748 29.748 32.154 -2.406 25958 1324 1 4 . 1 1 59 59 GLN H H 59 8.327 8.327 8.096 0.231 25958 1325 1 5 . 1 1 2 2 ASP N N 2 121.276 121.276 124.073 -2.797 25958 1326 1 5 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.761 -0.078 25958 1327 1 5 . 1 1 2 2 ASP C C 2 175.828 175.828 176.517 -0.689 25958 1328 1 5 . 1 1 2 2 ASP CA C 2 54.685 54.685 54.540 0.145 25958 1329 1 5 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.411 -0.437 25958 1330 1 5 . 1 1 2 2 ASP H H 2 8.555 8.555 8.692 -0.137 25958 1331 1 5 . 1 1 3 3 ASP N N 3 119.296 119.296 119.114 0.182 25958 1332 1 5 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.653 -0.073 25958 1333 1 5 . 1 1 3 3 ASP C C 3 175.884 175.884 176.023 -0.139 25958 1334 1 5 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.809 -0.689 25958 1335 1 5 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.988 -0.683 25958 1336 1 5 . 1 1 3 3 ASP H H 3 8.004 8.004 8.251 -0.247 25958 1337 1 5 . 1 1 4 4 GLU N N 4 120.922 120.922 117.333 3.589 25958 1338 1 5 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.023 0.112 25958 1339 1 5 . 1 1 4 4 GLU C C 4 174.979 174.979 174.627 0.352 25958 1340 1 5 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.487 0.384 25958 1341 1 5 . 1 1 4 4 GLU CB C 4 30.780 30.780 30.007 0.773 25958 1342 1 5 . 1 1 4 4 GLU H H 4 7.945 7.945 7.933 0.012 25958 1343 1 5 . 1 1 5 5 LEU N N 5 124.551 124.551 122.748 1.803 25958 1344 1 5 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.317 0.222 25958 1345 1 5 . 1 1 5 5 LEU C C 5 175.305 175.305 175.734 -0.429 25958 1346 1 5 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.026 -0.155 25958 1347 1 5 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.505 1.336 25958 1348 1 5 . 1 1 5 5 LEU H H 5 8.042 8.042 8.235 -0.193 25958 1349 1 5 . 1 1 6 6 LEU N N 6 127.945 127.945 126.654 1.291 25958 1350 1 5 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.511 0.001 25958 1351 1 5 . 1 1 6 6 LEU C C 6 174.919 174.919 176.416 -1.497 25958 1352 1 5 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.215 -0.698 25958 1353 1 5 . 1 1 6 6 LEU CB C 6 45.589 45.589 42.879 2.710 25958 1354 1 5 . 1 1 6 6 LEU H H 6 8.799 8.799 7.913 0.886 25958 1355 1 5 . 1 1 7 7 TYR N N 7 117.176 117.176 121.402 -4.226 25958 1356 1 5 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.718 0.439 25958 1357 1 5 . 1 1 7 7 TYR C C 7 175.335 175.335 175.496 -0.161 25958 1358 1 5 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.682 -0.250 25958 1359 1 5 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.098 0.846 25958 1360 1 5 . 1 1 7 7 TYR H H 7 8.583 8.583 8.382 0.201 25958 1361 1 5 . 1 1 8 8 LEU N N 8 128.094 128.094 127.093 1.001 25958 1362 1 5 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.882 0.270 25958 1363 1 5 . 1 1 8 8 LEU C C 8 173.946 173.946 174.462 -0.516 25958 1364 1 5 . 1 1 8 8 LEU CA C 8 51.618 51.618 51.754 -0.136 25958 1365 1 5 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.037 2.375 25958 1366 1 5 . 1 1 8 8 LEU H H 8 9.308 9.308 8.389 0.919 25958 1367 1 5 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.770 -0.243 25958 1368 1 5 . 1 1 9 9 PRO C C 9 176.758 176.758 176.505 0.253 25958 1369 1 5 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.850 -0.760 25958 1370 1 5 . 1 1 9 9 PRO CB C 9 31.873 31.873 32.049 -0.176 25958 1371 1 5 . 1 1 10 10 VAL N N 10 124.047 124.047 122.839 1.208 25958 1372 1 5 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.327 -0.118 25958 1373 1 5 . 1 1 10 10 VAL C C 10 173.446 173.446 175.261 -1.815 25958 1374 1 5 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.752 -0.134 25958 1375 1 5 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.285 0.384 25958 1376 1 5 . 1 1 10 10 VAL H H 10 9.193 9.193 8.215 0.978 25958 1377 1 5 . 1 1 11 11 ARG N N 11 127.433 127.433 124.696 2.737 25958 1378 1 5 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.758 -0.059 25958 1379 1 5 . 1 1 11 11 ARG C C 11 176.092 176.092 175.444 0.648 25958 1380 1 5 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.846 -0.479 25958 1381 1 5 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.766 -0.161 25958 1382 1 5 . 1 1 11 11 ARG H H 11 9.053 9.053 8.689 0.364 25958 1383 1 5 . 1 1 12 12 GLY N N 12 115.279 115.279 110.848 4.431 25958 1384 1 5 . 1 1 12 12 GLY C C 12 173.823 173.823 174.788 -0.965 25958 1385 1 5 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.290 -0.339 25958 1386 1 5 . 1 1 12 12 GLY H H 12 8.614 8.614 8.414 0.200 25958 1387 1 5 . 1 1 13 13 ARG N N 13 125.500 125.500 124.518 0.982 25958 1388 1 5 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.016 -0.164 25958 1389 1 5 . 1 1 13 13 ARG C C 13 177.793 177.793 177.909 -0.116 25958 1390 1 5 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.913 0.291 25958 1391 1 5 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.263 -0.496 25958 1392 1 5 . 1 1 13 13 ARG H H 13 8.774 8.774 8.768 0.006 25958 1393 1 5 . 1 1 14 14 GLU N N 14 119.254 119.254 118.920 0.334 25958 1394 1 5 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.167 -0.085 25958 1395 1 5 . 1 1 14 14 GLU C C 14 179.794 179.794 178.434 1.360 25958 1396 1 5 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.972 0.390 25958 1397 1 5 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.161 -0.202 25958 1398 1 5 . 1 1 14 14 GLU H H 14 8.888 8.888 8.955 -0.067 25958 1399 1 5 . 1 1 15 15 THR N N 15 117.699 117.699 115.251 2.448 25958 1400 1 5 . 1 1 15 15 THR HA H 15 3.784 3.784 4.063 -0.279 25958 1401 1 5 . 1 1 15 15 THR C C 15 175.457 175.457 176.599 -1.142 25958 1402 1 5 . 1 1 15 15 THR CA C 15 66.498 66.498 65.717 0.781 25958 1403 1 5 . 1 1 15 15 THR CB C 15 67.813 67.813 68.454 -0.641 25958 1404 1 5 . 1 1 15 15 THR H H 15 7.958 7.958 8.202 -0.244 25958 1405 1 5 . 1 1 16 16 TYR N N 16 122.365 122.365 123.006 -0.641 25958 1406 1 5 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.163 -0.421 25958 1407 1 5 . 1 1 16 16 TYR C C 16 175.895 175.895 177.374 -1.479 25958 1408 1 5 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.601 1.495 25958 1409 1 5 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.653 0.571 25958 1410 1 5 . 1 1 16 16 TYR H H 16 8.042 8.042 8.535 -0.493 25958 1411 1 5 . 1 1 17 17 GLU N N 17 116.940 116.940 119.861 -2.921 25958 1412 1 5 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.938 -0.111 25958 1413 1 5 . 1 1 17 17 GLU C C 17 179.448 179.448 178.771 0.677 25958 1414 1 5 . 1 1 17 17 GLU CA C 17 59.879 59.879 60.034 -0.155 25958 1415 1 5 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.609 -0.364 25958 1416 1 5 . 1 1 17 17 GLU H H 17 8.713 8.713 8.202 0.511 25958 1417 1 5 . 1 1 18 18 MET N N 18 118.965 118.965 120.073 -1.108 25958 1418 1 5 . 1 1 18 18 MET HA H 18 4.291 4.291 4.124 0.167 25958 1419 1 5 . 1 1 18 18 MET C C 18 178.050 178.050 178.314 -0.264 25958 1420 1 5 . 1 1 18 18 MET CA C 18 58.815 58.815 59.268 -0.453 25958 1421 1 5 . 1 1 18 18 MET CB C 18 32.736 32.736 32.754 -0.018 25958 1422 1 5 . 1 1 18 18 MET H H 18 7.505 7.505 8.384 -0.879 25958 1423 1 5 . 1 1 19 19 LEU N N 19 117.499 117.499 120.266 -2.767 25958 1424 1 5 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.018 -0.195 25958 1425 1 5 . 1 1 19 19 LEU C C 19 178.443 178.443 178.957 -0.514 25958 1426 1 5 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.684 -0.123 25958 1427 1 5 . 1 1 19 19 LEU CB C 19 41.755 41.755 40.997 0.758 25958 1428 1 5 . 1 1 19 19 LEU H H 19 8.151 8.151 8.008 0.143 25958 1429 1 5 . 1 1 20 20 LEU N N 20 120.873 120.873 120.561 0.312 25958 1430 1 5 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.788 -0.024 25958 1431 1 5 . 1 1 20 20 LEU C C 20 178.475 178.475 178.344 0.131 25958 1432 1 5 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.392 0.310 25958 1433 1 5 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.792 0.073 25958 1434 1 5 . 1 1 20 20 LEU H H 20 8.649 8.649 8.431 0.218 25958 1435 1 5 . 1 1 21 21 GLU N N 21 118.433 118.433 120.179 -1.746 25958 1436 1 5 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.975 0.086 25958 1437 1 5 . 1 1 21 21 GLU C C 21 179.572 179.572 179.232 0.340 25958 1438 1 5 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.950 -0.249 25958 1439 1 5 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.495 -0.201 25958 1440 1 5 . 1 1 21 21 GLU H H 21 7.379 7.379 8.463 -1.084 25958 1441 1 5 . 1 1 22 22 ILE N N 22 116.978 116.978 119.051 -2.073 25958 1442 1 5 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.717 -0.002 25958 1443 1 5 . 1 1 22 22 ILE C C 22 177.909 177.909 177.796 0.113 25958 1444 1 5 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.654 -0.134 25958 1445 1 5 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.812 0.100 25958 1446 1 5 . 1 1 22 22 ILE H H 22 7.649 7.649 7.916 -0.267 25958 1447 1 5 . 1 1 23 23 LYS N N 23 122.631 122.631 121.136 1.495 25958 1448 1 5 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.902 -0.194 25958 1449 1 5 . 1 1 23 23 LYS C C 23 177.322 177.322 178.395 -1.073 25958 1450 1 5 . 1 1 23 23 LYS CA C 23 60.543 60.543 60.160 0.383 25958 1451 1 5 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.239 0.256 25958 1452 1 5 . 1 1 23 23 LYS H H 23 9.094 9.094 8.000 1.094 25958 1453 1 5 . 1 1 24 24 GLU N N 24 117.756 117.756 118.621 -0.865 25958 1454 1 5 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.977 0.264 25958 1455 1 5 . 1 1 24 24 GLU C C 24 177.755 177.755 178.823 -1.068 25958 1456 1 5 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.759 0.008 25958 1457 1 5 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.433 0.334 25958 1458 1 5 . 1 1 24 24 GLU H H 24 8.320 8.320 8.459 -0.139 25958 1459 1 5 . 1 1 25 25 SER N N 25 114.010 114.010 115.539 -1.529 25958 1460 1 5 . 1 1 25 25 SER HA H 25 4.174 4.174 4.201 -0.027 25958 1461 1 5 . 1 1 25 25 SER C C 25 175.840 175.840 176.569 -0.729 25958 1462 1 5 . 1 1 25 25 SER CA C 25 62.272 62.272 61.652 0.620 25958 1463 1 5 . 1 1 25 25 SER CB C 25 63.277 63.277 62.997 0.280 25958 1464 1 5 . 1 1 25 25 SER H H 25 7.425 7.425 8.038 -0.613 25958 1465 1 5 . 1 1 26 26 LEU N N 26 122.202 122.202 122.518 -0.316 25958 1466 1 5 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.098 -0.053 25958 1467 1 5 . 1 1 26 26 LEU C C 26 180.418 180.418 178.273 2.145 25958 1468 1 5 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.319 0.680 25958 1469 1 5 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.753 0.957 25958 1470 1 5 . 1 1 26 26 LEU H H 26 7.625 7.625 7.666 -0.041 25958 1471 1 5 . 1 1 27 27 GLU N N 27 118.591 118.591 120.166 -1.575 25958 1472 1 5 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.950 0.129 25958 1473 1 5 . 1 1 27 27 GLU C C 27 180.128 180.128 178.969 1.159 25958 1474 1 5 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.662 -0.026 25958 1475 1 5 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.833 -0.276 25958 1476 1 5 . 1 1 27 27 GLU H H 27 8.593 8.593 8.442 0.151 25958 1477 1 5 . 1 1 28 28 LEU N N 28 119.793 119.793 119.801 -0.008 25958 1478 1 5 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.159 -0.192 25958 1479 1 5 . 1 1 28 28 LEU C C 28 178.567 178.567 179.177 -0.610 25958 1480 1 5 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.929 -0.640 25958 1481 1 5 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.411 0.436 25958 1482 1 5 . 1 1 28 28 LEU H H 28 8.468 8.468 8.194 0.274 25958 1483 1 5 . 1 1 29 29 MET N N 29 115.804 115.804 119.497 -3.693 25958 1484 1 5 . 1 1 29 29 MET HA H 29 3.928 3.928 4.032 -0.104 25958 1485 1 5 . 1 1 29 29 MET C C 29 177.907 177.907 178.092 -0.185 25958 1486 1 5 . 1 1 29 29 MET CA C 29 58.463 58.463 58.838 -0.375 25958 1487 1 5 . 1 1 29 29 MET CB C 29 33.047 33.047 31.898 1.149 25958 1488 1 5 . 1 1 29 29 MET H H 29 7.279 7.279 7.985 -0.706 25958 1489 1 5 . 1 1 30 30 GLN N N 30 114.048 114.048 117.173 -3.125 25958 1490 1 5 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.166 -0.046 25958 1491 1 5 . 1 1 30 30 GLN C C 30 176.520 176.520 177.782 -1.262 25958 1492 1 5 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.941 -1.006 25958 1493 1 5 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.551 -0.209 25958 1494 1 5 . 1 1 30 30 GLN H H 30 7.138 7.138 7.989 -0.851 25958 1495 1 5 . 1 1 31 31 TYR N N 31 117.000 117.000 118.156 -1.156 25958 1496 1 5 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.402 0.081 25958 1497 1 5 . 1 1 31 31 TYR C C 31 176.095 176.095 175.763 0.332 25958 1498 1 5 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.655 -1.230 25958 1499 1 5 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.861 -1.369 25958 1500 1 5 . 1 1 31 31 TYR H H 31 7.764 7.764 7.361 0.403 25958 1501 1 5 . 1 1 32 32 LEU N N 32 120.517 120.517 121.477 -0.960 25958 1502 1 5 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.919 -2.013 25958 1503 1 5 . 1 1 32 32 LEU C C 32 174.141 174.141 174.377 -0.236 25958 1504 1 5 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.355 0.983 25958 1505 1 5 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.355 -1.086 25958 1506 1 5 . 1 1 32 32 LEU H H 32 7.368 7.368 8.285 -0.917 25958 1507 1 5 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.095 0.452 25958 1508 1 5 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.314 2.972 25958 1509 1 5 . 1 1 35 35 HIS N N 35 124.090 124.090 117.973 6.117 25958 1510 1 5 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.346 0.126 25958 1511 1 5 . 1 1 35 35 HIS C C 35 177.836 177.836 177.790 0.046 25958 1512 1 5 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.261 -0.895 25958 1513 1 5 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.632 -0.120 25958 1514 1 5 . 1 1 35 35 HIS H H 35 8.869 8.869 8.967 -0.098 25958 1515 1 5 . 1 1 36 36 THR N N 36 119.182 119.182 116.304 2.878 25958 1516 1 5 . 1 1 36 36 THR HA H 36 3.946 3.946 4.012 -0.066 25958 1517 1 5 . 1 1 36 36 THR C C 36 176.029 176.029 176.264 -0.235 25958 1518 1 5 . 1 1 36 36 THR CA C 36 66.606 66.606 66.488 0.118 25958 1519 1 5 . 1 1 36 36 THR CB C 36 68.598 68.598 68.572 0.026 25958 1520 1 5 . 1 1 36 36 THR H H 36 7.138 7.138 8.261 -1.123 25958 1521 1 5 . 1 1 37 37 ILE N N 37 122.903 122.903 121.486 1.417 25958 1522 1 5 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.757 -0.195 25958 1523 1 5 . 1 1 37 37 ILE C C 37 177.685 177.685 177.469 0.216 25958 1524 1 5 . 1 1 37 37 ILE CA C 37 65.667 65.667 65.172 0.495 25958 1525 1 5 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.615 0.589 25958 1526 1 5 . 1 1 37 37 ILE H H 37 7.193 7.193 7.628 -0.435 25958 1527 1 5 . 1 1 38 38 GLU N N 38 118.719 118.719 120.695 -1.976 25958 1528 1 5 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.973 0.076 25958 1529 1 5 . 1 1 38 38 GLU C C 38 179.575 179.575 179.026 0.549 25958 1530 1 5 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.326 -0.581 25958 1531 1 5 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.503 -0.062 25958 1532 1 5 . 1 1 38 38 GLU H H 38 8.578 8.578 7.843 0.735 25958 1533 1 5 . 1 1 39 39 THR N N 39 116.297 116.297 116.452 -0.155 25958 1534 1 5 . 1 1 39 39 THR HA H 39 3.936 3.936 4.004 -0.068 25958 1535 1 5 . 1 1 39 39 THR C C 39 176.203 176.203 176.372 -0.169 25958 1536 1 5 . 1 1 39 39 THR CA C 39 66.989 66.989 67.349 -0.360 25958 1537 1 5 . 1 1 39 39 THR CB C 39 68.845 68.845 68.828 0.017 25958 1538 1 5 . 1 1 39 39 THR H H 39 8.124 8.124 8.544 -0.420 25958 1539 1 5 . 1 1 40 40 TYR N N 40 123.453 123.453 122.770 0.683 25958 1540 1 5 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.062 0.161 25958 1541 1 5 . 1 1 40 40 TYR C C 40 178.058 178.058 177.038 1.020 25958 1542 1 5 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.697 0.205 25958 1543 1 5 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.531 0.052 25958 1544 1 5 . 1 1 40 40 TYR H H 40 7.730 7.730 8.182 -0.452 25958 1545 1 5 . 1 1 41 41 ARG N N 41 119.944 119.944 118.900 1.044 25958 1546 1 5 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.953 -0.151 25958 1547 1 5 . 1 1 41 41 ARG C C 41 179.552 179.552 178.385 1.167 25958 1548 1 5 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.393 1.094 25958 1549 1 5 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.765 0.312 25958 1550 1 5 . 1 1 41 41 ARG H H 41 8.635 8.635 8.232 0.403 25958 1551 1 5 . 1 1 42 42 GLN N N 42 119.455 119.455 119.030 0.425 25958 1552 1 5 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.979 0.104 25958 1553 1 5 . 1 1 42 42 GLN C C 42 178.700 178.700 178.116 0.584 25958 1554 1 5 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.160 -0.332 25958 1555 1 5 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.454 -0.102 25958 1556 1 5 . 1 1 42 42 GLN H H 42 8.225 8.225 8.325 -0.100 25958 1557 1 5 . 1 1 43 43 GLN N N 43 118.905 118.905 118.872 0.033 25958 1558 1 5 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.835 0.253 25958 1559 1 5 . 1 1 43 43 GLN C C 43 178.664 178.664 178.199 0.465 25958 1560 1 5 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.869 -0.522 25958 1561 1 5 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.558 -0.379 25958 1562 1 5 . 1 1 43 43 GLN H H 43 7.894 7.894 8.305 -0.411 25958 1563 1 5 . 1 1 44 44 GLN N N 44 117.762 117.762 119.882 -2.120 25958 1564 1 5 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.814 0.133 25958 1565 1 5 . 1 1 44 44 GLN C C 44 178.320 178.320 178.375 -0.055 25958 1566 1 5 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.620 -1.335 25958 1567 1 5 . 1 1 44 44 GLN CB C 44 28.161 28.161 27.910 0.251 25958 1568 1 5 . 1 1 44 44 GLN H H 44 8.034 8.034 8.183 -0.149 25958 1569 1 5 . 1 1 45 45 GLN N N 45 119.382 119.382 119.376 0.006 25958 1570 1 5 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.007 0.184 25958 1571 1 5 . 1 1 45 45 GLN C C 45 177.742 177.742 178.475 -0.733 25958 1572 1 5 . 1 1 45 45 GLN CA C 45 58.171 58.171 59.416 -1.245 25958 1573 1 5 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.563 -0.070 25958 1574 1 5 . 1 1 45 45 GLN H H 45 7.997 7.997 7.752 0.245 25958 1575 1 5 . 1 1 46 46 GLN N N 46 118.664 118.664 119.218 -0.554 25958 1576 1 5 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.968 0.228 25958 1577 1 5 . 1 1 46 46 GLN C C 46 177.540 177.540 178.314 -0.774 25958 1578 1 5 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.538 -0.853 25958 1579 1 5 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.399 0.344 25958 1580 1 5 . 1 1 46 46 GLN H H 46 7.870 7.870 7.761 0.109 25958 1581 1 5 . 1 1 47 47 GLN N N 47 118.622 118.622 120.034 -1.412 25958 1582 1 5 . 1 1 47 47 GLN C C 47 177.073 177.073 177.657 -0.584 25958 1583 1 5 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.081 -1.753 25958 1584 1 5 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.632 0.293 25958 1585 1 5 . 1 1 47 47 GLN H H 47 8.043 8.043 8.388 -0.345 25958 1586 1 5 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.091 0.482 25958 1587 1 5 . 1 1 48 48 HIS C C 48 176.277 176.277 177.628 -1.351 25958 1588 1 5 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.932 -2.019 25958 1589 1 5 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.078 0.141 25958 1590 1 5 . 1 1 49 49 GLN N N 49 119.554 119.554 116.213 3.341 25958 1591 1 5 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.839 0.376 25958 1592 1 5 . 1 1 49 49 GLN C C 49 176.896 176.896 178.485 -1.589 25958 1593 1 5 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.202 -0.657 25958 1594 1 5 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.443 0.431 25958 1595 1 5 . 1 1 49 49 GLN H H 49 8.117 8.117 7.948 0.169 25958 1596 1 5 . 1 1 50 50 HIS N N 50 118.665 118.665 117.948 0.717 25958 1597 1 5 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.332 0.216 25958 1598 1 5 . 1 1 50 50 HIS C C 50 176.265 176.265 176.893 -0.628 25958 1599 1 5 . 1 1 50 50 HIS CA C 50 57.300 57.300 57.901 -0.601 25958 1600 1 5 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.556 -0.367 25958 1601 1 5 . 1 1 50 50 HIS H H 50 8.138 8.138 7.644 0.494 25958 1602 1 5 . 1 1 51 51 LEU N N 51 121.208 121.208 119.133 2.075 25958 1603 1 5 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.064 0.106 25958 1604 1 5 . 1 1 51 51 LEU C C 51 177.627 177.627 179.014 -1.387 25958 1605 1 5 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.334 -1.131 25958 1606 1 5 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.027 0.117 25958 1607 1 5 . 1 1 51 51 LEU H H 51 7.809 7.809 8.319 -0.510 25958 1608 1 5 . 1 1 52 52 LEU N N 52 120.700 120.700 118.419 2.281 25958 1609 1 5 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.117 0.061 25958 1610 1 5 . 1 1 52 52 LEU C C 52 177.799 177.799 176.671 1.128 25958 1611 1 5 . 1 1 52 52 LEU CA C 52 55.993 55.993 57.009 -1.016 25958 1612 1 5 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.519 -0.401 25958 1613 1 5 . 1 1 52 52 LEU H H 52 7.924 7.924 7.881 0.043 25958 1614 1 5 . 1 1 53 53 GLN N N 53 119.631 119.631 113.631 6.000 25958 1615 1 5 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.388 -0.173 25958 1616 1 5 . 1 1 53 53 GLN C C 53 176.327 176.327 174.981 1.346 25958 1617 1 5 . 1 1 53 53 GLN CA C 53 56.492 56.492 55.134 1.358 25958 1618 1 5 . 1 1 53 53 GLN CB C 53 29.202 29.202 30.488 -1.286 25958 1619 1 5 . 1 1 53 53 GLN H H 53 7.986 7.986 7.516 0.470 25958 1620 1 5 . 1 1 54 54 LYS N N 54 121.278 121.278 120.404 0.874 25958 1621 1 5 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.143 0.084 25958 1622 1 5 . 1 1 54 54 LYS C C 54 176.812 176.812 177.085 -0.273 25958 1623 1 5 . 1 1 54 54 LYS CA C 54 56.680 56.680 58.558 -1.878 25958 1624 1 5 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.017 -0.119 25958 1625 1 5 . 1 1 54 54 LYS H H 54 8.053 8.053 8.719 -0.666 25958 1626 1 5 . 1 1 55 55 GLN N N 55 120.539 120.539 114.211 6.328 25958 1627 1 5 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.390 -0.068 25958 1628 1 5 . 1 1 55 55 GLN C C 55 176.291 176.291 174.592 1.699 25958 1629 1 5 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.989 0.210 25958 1630 1 5 . 1 1 55 55 GLN CB C 55 29.392 29.392 31.014 -1.622 25958 1631 1 5 . 1 1 55 55 GLN H H 55 8.249 8.249 7.936 0.313 25958 1632 1 5 . 1 1 56 56 THR N N 56 114.334 114.334 113.022 1.312 25958 1633 1 5 . 1 1 56 56 THR HA H 56 4.347 4.347 4.806 -0.459 25958 1634 1 5 . 1 1 56 56 THR C C 56 174.526 174.526 174.373 0.153 25958 1635 1 5 . 1 1 56 56 THR CA C 56 62.075 62.075 61.202 0.873 25958 1636 1 5 . 1 1 56 56 THR CB C 56 69.852 69.852 69.983 -0.131 25958 1637 1 5 . 1 1 56 56 THR H H 56 8.063 8.063 7.798 0.265 25958 1638 1 5 . 1 1 57 57 SER N N 57 117.856 117.856 117.891 -0.035 25958 1639 1 5 . 1 1 57 57 SER HA H 57 4.502 4.502 4.102 0.400 25958 1640 1 5 . 1 1 57 57 SER C C 57 174.275 174.275 175.686 -1.411 25958 1641 1 5 . 1 1 57 57 SER CA C 57 58.405 58.405 59.915 -1.510 25958 1642 1 5 . 1 1 57 57 SER CB C 57 63.949 63.949 63.079 0.870 25958 1643 1 5 . 1 1 57 57 SER H H 57 8.163 8.163 8.596 -0.433 25958 1644 1 5 . 1 1 58 58 ILE N N 58 122.144 122.144 115.591 6.553 25958 1645 1 5 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.003 0.192 25958 1646 1 5 . 1 1 58 58 ILE C C 58 176.006 176.006 176.035 -0.029 25958 1647 1 5 . 1 1 58 58 ILE CA C 58 61.275 61.275 63.007 -1.732 25958 1648 1 5 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.088 0.732 25958 1649 1 5 . 1 1 58 58 ILE H H 58 8.049 8.049 8.086 -0.037 25958 1650 1 5 . 1 1 59 59 GLN N N 59 124.842 124.842 118.654 6.188 25958 1651 1 5 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.536 -0.120 25958 1652 1 5 . 1 1 59 59 GLN C C 59 174.974 174.974 174.070 0.904 25958 1653 1 5 . 1 1 59 59 GLN CA C 59 55.845 55.845 54.973 0.872 25958 1654 1 5 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.741 -1.992 25958 1655 1 5 . 1 1 59 59 GLN H H 59 8.327 8.327 7.907 0.420 25958 1656 1 6 . 1 1 2 2 ASP N N 2 121.276 121.276 121.181 0.095 25958 1657 1 6 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.478 0.205 25958 1658 1 6 . 1 1 2 2 ASP C C 2 175.828 175.828 177.058 -1.230 25958 1659 1 6 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.209 -0.524 25958 1660 1 6 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.928 0.046 25958 1661 1 6 . 1 1 2 2 ASP H H 2 8.555 8.555 8.285 0.270 25958 1662 1 6 . 1 1 3 3 ASP N N 3 119.296 119.296 120.074 -0.778 25958 1663 1 6 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.606 -0.026 25958 1664 1 6 . 1 1 3 3 ASP C C 3 175.884 175.884 175.436 0.448 25958 1665 1 6 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.089 0.030 25958 1666 1 6 . 1 1 3 3 ASP CB C 3 41.305 41.305 39.086 2.219 25958 1667 1 6 . 1 1 3 3 ASP H H 3 8.004 8.004 8.689 -0.685 25958 1668 1 6 . 1 1 4 4 GLU N N 4 120.922 120.922 119.477 1.445 25958 1669 1 6 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.260 -0.125 25958 1670 1 6 . 1 1 4 4 GLU C C 4 174.979 174.979 176.007 -1.028 25958 1671 1 6 . 1 1 4 4 GLU CA C 4 56.871 56.871 55.946 0.925 25958 1672 1 6 . 1 1 4 4 GLU CB C 4 30.780 30.780 28.975 1.805 25958 1673 1 6 . 1 1 4 4 GLU H H 4 7.945 7.945 7.778 0.167 25958 1674 1 6 . 1 1 5 5 LEU N N 5 124.551 124.551 127.293 -2.742 25958 1675 1 6 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.160 0.379 25958 1676 1 6 . 1 1 5 5 LEU C C 5 175.305 175.305 175.721 -0.416 25958 1677 1 6 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.671 0.200 25958 1678 1 6 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.748 1.093 25958 1679 1 6 . 1 1 5 5 LEU H H 5 8.042 8.042 8.500 -0.458 25958 1680 1 6 . 1 1 6 6 LEU N N 6 127.945 127.945 126.573 1.372 25958 1681 1 6 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.458 0.054 25958 1682 1 6 . 1 1 6 6 LEU C C 6 174.919 174.919 176.605 -1.686 25958 1683 1 6 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.189 -0.672 25958 1684 1 6 . 1 1 6 6 LEU CB C 6 45.589 45.589 42.867 2.722 25958 1685 1 6 . 1 1 6 6 LEU H H 6 8.799 8.799 7.904 0.895 25958 1686 1 6 . 1 1 7 7 TYR N N 7 117.176 117.176 122.092 -4.916 25958 1687 1 6 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.612 0.545 25958 1688 1 6 . 1 1 7 7 TYR C C 7 175.335 175.335 175.505 -0.170 25958 1689 1 6 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.532 -0.100 25958 1690 1 6 . 1 1 7 7 TYR CB C 7 40.944 40.944 38.821 2.123 25958 1691 1 6 . 1 1 7 7 TYR H H 7 8.583 8.583 8.474 0.109 25958 1692 1 6 . 1 1 8 8 LEU N N 8 128.094 128.094 129.847 -1.753 25958 1693 1 6 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.826 0.326 25958 1694 1 6 . 1 1 8 8 LEU C C 8 173.946 173.946 174.666 -0.720 25958 1695 1 6 . 1 1 8 8 LEU CA C 8 51.618 51.618 51.972 -0.354 25958 1696 1 6 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.460 2.952 25958 1697 1 6 . 1 1 8 8 LEU H H 8 9.308 9.308 8.386 0.922 25958 1698 1 6 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.839 -0.312 25958 1699 1 6 . 1 1 9 9 PRO C C 9 176.758 176.758 175.525 1.233 25958 1700 1 6 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.868 -0.778 25958 1701 1 6 . 1 1 9 9 PRO CB C 9 31.873 31.873 32.260 -0.387 25958 1702 1 6 . 1 1 10 10 VAL N N 10 124.047 124.047 122.219 1.828 25958 1703 1 6 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.429 -0.220 25958 1704 1 6 . 1 1 10 10 VAL C C 10 173.446 173.446 174.978 -1.532 25958 1705 1 6 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.051 0.567 25958 1706 1 6 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.197 0.472 25958 1707 1 6 . 1 1 10 10 VAL H H 10 9.193 9.193 8.274 0.919 25958 1708 1 6 . 1 1 11 11 ARG N N 11 127.433 127.433 123.770 3.663 25958 1709 1 6 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.773 -0.074 25958 1710 1 6 . 1 1 11 11 ARG C C 11 176.092 176.092 175.173 0.919 25958 1711 1 6 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.715 -0.348 25958 1712 1 6 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.634 -0.029 25958 1713 1 6 . 1 1 11 11 ARG H H 11 9.053 9.053 8.683 0.370 25958 1714 1 6 . 1 1 12 12 GLY N N 12 115.279 115.279 111.753 3.526 25958 1715 1 6 . 1 1 12 12 GLY C C 12 173.823 173.823 174.393 -0.570 25958 1716 1 6 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.397 -0.446 25958 1717 1 6 . 1 1 12 12 GLY H H 12 8.614 8.614 8.342 0.272 25958 1718 1 6 . 1 1 13 13 ARG N N 13 125.500 125.500 123.006 2.494 25958 1719 1 6 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.166 -0.314 25958 1720 1 6 . 1 1 13 13 ARG C C 13 177.793 177.793 178.301 -0.508 25958 1721 1 6 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.662 0.542 25958 1722 1 6 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.317 -0.550 25958 1723 1 6 . 1 1 13 13 ARG H H 13 8.774 8.774 8.763 0.011 25958 1724 1 6 . 1 1 14 14 GLU N N 14 119.254 119.254 119.224 0.030 25958 1725 1 6 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.210 -0.128 25958 1726 1 6 . 1 1 14 14 GLU C C 14 179.794 179.794 178.862 0.932 25958 1727 1 6 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.970 0.392 25958 1728 1 6 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.052 -0.093 25958 1729 1 6 . 1 1 14 14 GLU H H 14 8.888 8.888 8.878 0.010 25958 1730 1 6 . 1 1 15 15 THR N N 15 117.699 117.699 116.751 0.948 25958 1731 1 6 . 1 1 15 15 THR HA H 15 3.784 3.784 4.026 -0.242 25958 1732 1 6 . 1 1 15 15 THR C C 15 175.457 175.457 176.162 -0.705 25958 1733 1 6 . 1 1 15 15 THR CA C 15 66.498 66.498 67.091 -0.593 25958 1734 1 6 . 1 1 15 15 THR CB C 15 67.813 67.813 68.455 -0.642 25958 1735 1 6 . 1 1 15 15 THR H H 15 7.958 7.958 8.251 -0.293 25958 1736 1 6 . 1 1 16 16 TYR N N 16 122.365 122.365 122.300 0.065 25958 1737 1 6 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.061 -0.319 25958 1738 1 6 . 1 1 16 16 TYR C C 16 175.895 175.895 177.728 -1.833 25958 1739 1 6 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.966 1.130 25958 1740 1 6 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.606 0.618 25958 1741 1 6 . 1 1 16 16 TYR H H 16 8.042 8.042 8.280 -0.238 25958 1742 1 6 . 1 1 17 17 GLU N N 17 116.940 116.940 119.117 -2.177 25958 1743 1 6 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.892 -0.065 25958 1744 1 6 . 1 1 17 17 GLU C C 17 179.448 179.448 178.858 0.590 25958 1745 1 6 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.552 0.327 25958 1746 1 6 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.567 -0.322 25958 1747 1 6 . 1 1 17 17 GLU H H 17 8.713 8.713 8.072 0.641 25958 1748 1 6 . 1 1 18 18 MET N N 18 118.965 118.965 120.286 -1.321 25958 1749 1 6 . 1 1 18 18 MET HA H 18 4.291 4.291 4.055 0.236 25958 1750 1 6 . 1 1 18 18 MET C C 18 178.050 178.050 178.060 -0.010 25958 1751 1 6 . 1 1 18 18 MET CA C 18 58.815 58.815 59.425 -0.610 25958 1752 1 6 . 1 1 18 18 MET CB C 18 32.736 32.736 32.740 -0.004 25958 1753 1 6 . 1 1 18 18 MET H H 18 7.505 7.505 8.490 -0.985 25958 1754 1 6 . 1 1 19 19 LEU N N 19 117.499 117.499 119.450 -1.951 25958 1755 1 6 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.982 -0.159 25958 1756 1 6 . 1 1 19 19 LEU C C 19 178.443 178.443 179.315 -0.872 25958 1757 1 6 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.196 -0.635 25958 1758 1 6 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.073 0.682 25958 1759 1 6 . 1 1 19 19 LEU H H 19 8.151 8.151 8.236 -0.085 25958 1760 1 6 . 1 1 20 20 LEU N N 20 120.873 120.873 120.995 -0.122 25958 1761 1 6 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.769 -0.005 25958 1762 1 6 . 1 1 20 20 LEU C C 20 178.475 178.475 178.289 0.186 25958 1763 1 6 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.493 0.209 25958 1764 1 6 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.822 0.044 25958 1765 1 6 . 1 1 20 20 LEU H H 20 8.649 8.649 8.195 0.454 25958 1766 1 6 . 1 1 21 21 GLU N N 21 118.433 118.433 119.652 -1.219 25958 1767 1 6 . 1 1 21 21 GLU HA H 21 4.061 4.061 4.007 0.054 25958 1768 1 6 . 1 1 21 21 GLU C C 21 179.572 179.572 179.311 0.261 25958 1769 1 6 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.931 -0.231 25958 1770 1 6 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.652 -0.358 25958 1771 1 6 . 1 1 21 21 GLU H H 21 7.379 7.379 8.180 -0.801 25958 1772 1 6 . 1 1 22 22 ILE N N 22 116.978 116.978 120.267 -3.289 25958 1773 1 6 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.721 -0.006 25958 1774 1 6 . 1 1 22 22 ILE C C 22 177.909 177.909 177.946 -0.037 25958 1775 1 6 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.520 -1.000 25958 1776 1 6 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.921 -0.009 25958 1777 1 6 . 1 1 22 22 ILE H H 22 7.649 7.649 8.645 -0.996 25958 1778 1 6 . 1 1 23 23 LYS N N 23 122.631 122.631 120.250 2.381 25958 1779 1 6 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.873 -0.165 25958 1780 1 6 . 1 1 23 23 LYS C C 23 177.322 177.322 178.271 -0.949 25958 1781 1 6 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.983 0.560 25958 1782 1 6 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.152 0.343 25958 1783 1 6 . 1 1 23 23 LYS H H 23 9.094 9.094 7.622 1.472 25958 1784 1 6 . 1 1 24 24 GLU N N 24 117.756 117.756 119.161 -1.405 25958 1785 1 6 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.958 0.283 25958 1786 1 6 . 1 1 24 24 GLU C C 24 177.755 177.755 179.282 -1.527 25958 1787 1 6 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.775 -0.008 25958 1788 1 6 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.527 0.240 25958 1789 1 6 . 1 1 24 24 GLU H H 24 8.320 8.320 8.562 -0.242 25958 1790 1 6 . 1 1 25 25 SER N N 25 114.010 114.010 115.511 -1.501 25958 1791 1 6 . 1 1 25 25 SER HA H 25 4.174 4.174 4.182 -0.008 25958 1792 1 6 . 1 1 25 25 SER C C 25 175.840 175.840 176.602 -0.762 25958 1793 1 6 . 1 1 25 25 SER CA C 25 62.272 62.272 61.912 0.360 25958 1794 1 6 . 1 1 25 25 SER CB C 25 63.277 63.277 62.933 0.344 25958 1795 1 6 . 1 1 25 25 SER H H 25 7.425 7.425 8.301 -0.876 25958 1796 1 6 . 1 1 26 26 LEU N N 26 122.202 122.202 124.421 -2.219 25958 1797 1 6 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.010 0.035 25958 1798 1 6 . 1 1 26 26 LEU C C 26 180.418 180.418 178.764 1.654 25958 1799 1 6 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.767 0.232 25958 1800 1 6 . 1 1 26 26 LEU CB C 26 42.710 42.710 42.002 0.708 25958 1801 1 6 . 1 1 26 26 LEU H H 26 7.625 7.625 7.771 -0.146 25958 1802 1 6 . 1 1 27 27 GLU N N 27 118.591 118.591 118.301 0.290 25958 1803 1 6 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.989 0.090 25958 1804 1 6 . 1 1 27 27 GLU C C 27 180.128 180.128 179.279 0.849 25958 1805 1 6 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.552 0.084 25958 1806 1 6 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.436 0.121 25958 1807 1 6 . 1 1 27 27 GLU H H 27 8.593 8.593 8.663 -0.070 25958 1808 1 6 . 1 1 28 28 LEU N N 28 119.793 119.793 120.275 -0.482 25958 1809 1 6 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.239 -0.272 25958 1810 1 6 . 1 1 28 28 LEU C C 28 178.567 178.567 179.338 -0.771 25958 1811 1 6 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.284 0.005 25958 1812 1 6 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.191 0.656 25958 1813 1 6 . 1 1 28 28 LEU H H 28 8.468 8.468 7.765 0.703 25958 1814 1 6 . 1 1 29 29 MET N N 29 115.804 115.804 118.873 -3.069 25958 1815 1 6 . 1 1 29 29 MET HA H 29 3.928 3.928 4.051 -0.123 25958 1816 1 6 . 1 1 29 29 MET C C 29 177.907 177.907 177.785 0.122 25958 1817 1 6 . 1 1 29 29 MET CA C 29 58.463 58.463 58.598 -0.135 25958 1818 1 6 . 1 1 29 29 MET CB C 29 33.047 33.047 31.886 1.161 25958 1819 1 6 . 1 1 29 29 MET H H 29 7.279 7.279 8.240 -0.961 25958 1820 1 6 . 1 1 30 30 GLN N N 30 114.048 114.048 117.748 -3.700 25958 1821 1 6 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.150 -0.030 25958 1822 1 6 . 1 1 30 30 GLN C C 30 176.520 176.520 177.856 -1.336 25958 1823 1 6 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.781 -0.846 25958 1824 1 6 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.179 -0.837 25958 1825 1 6 . 1 1 30 30 GLN H H 30 7.138 7.138 7.762 -0.624 25958 1826 1 6 . 1 1 31 31 TYR N N 31 117.000 117.000 119.338 -2.338 25958 1827 1 6 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.372 0.111 25958 1828 1 6 . 1 1 31 31 TYR C C 31 176.095 176.095 175.565 0.530 25958 1829 1 6 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.451 -2.026 25958 1830 1 6 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.733 -1.241 25958 1831 1 6 . 1 1 31 31 TYR H H 31 7.764 7.764 7.842 -0.078 25958 1832 1 6 . 1 1 32 32 LEU N N 32 120.517 120.517 122.315 -1.798 25958 1833 1 6 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.924 -2.018 25958 1834 1 6 . 1 1 32 32 LEU C C 32 174.141 174.141 174.456 -0.315 25958 1835 1 6 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.751 0.587 25958 1836 1 6 . 1 1 32 32 LEU CB C 32 42.269 42.269 42.728 -0.459 25958 1837 1 6 . 1 1 32 32 LEU H H 32 7.368 7.368 8.168 -0.800 25958 1838 1 6 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.213 0.334 25958 1839 1 6 . 1 1 34 34 GLN CB C 34 32.286 32.286 30.435 1.851 25958 1840 1 6 . 1 1 35 35 HIS N N 35 124.090 124.090 120.895 3.195 25958 1841 1 6 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.256 0.216 25958 1842 1 6 . 1 1 35 35 HIS C C 35 177.836 177.836 177.250 0.586 25958 1843 1 6 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.671 -1.305 25958 1844 1 6 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.551 -0.039 25958 1845 1 6 . 1 1 35 35 HIS H H 35 8.869 8.869 8.599 0.270 25958 1846 1 6 . 1 1 36 36 THR N N 36 119.182 119.182 116.171 3.011 25958 1847 1 6 . 1 1 36 36 THR HA H 36 3.946 3.946 4.132 -0.186 25958 1848 1 6 . 1 1 36 36 THR C C 36 176.029 176.029 176.637 -0.608 25958 1849 1 6 . 1 1 36 36 THR CA C 36 66.606 66.606 66.667 -0.061 25958 1850 1 6 . 1 1 36 36 THR CB C 36 68.598 68.598 68.139 0.459 25958 1851 1 6 . 1 1 36 36 THR H H 36 7.138 7.138 8.467 -1.329 25958 1852 1 6 . 1 1 37 37 ILE N N 37 122.903 122.903 121.900 1.003 25958 1853 1 6 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.692 -0.130 25958 1854 1 6 . 1 1 37 37 ILE C C 37 177.685 177.685 177.824 -0.139 25958 1855 1 6 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.625 1.042 25958 1856 1 6 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.576 0.628 25958 1857 1 6 . 1 1 37 37 ILE H H 37 7.193 7.193 7.753 -0.560 25958 1858 1 6 . 1 1 38 38 GLU N N 38 118.719 118.719 119.610 -0.891 25958 1859 1 6 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.902 0.147 25958 1860 1 6 . 1 1 38 38 GLU C C 38 179.575 179.575 179.000 0.575 25958 1861 1 6 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.128 -0.383 25958 1862 1 6 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.603 -0.162 25958 1863 1 6 . 1 1 38 38 GLU H H 38 8.578 8.578 7.983 0.595 25958 1864 1 6 . 1 1 39 39 THR N N 39 116.297 116.297 117.746 -1.449 25958 1865 1 6 . 1 1 39 39 THR HA H 39 3.936 3.936 4.042 -0.106 25958 1866 1 6 . 1 1 39 39 THR C C 39 176.203 176.203 176.654 -0.451 25958 1867 1 6 . 1 1 39 39 THR CA C 39 66.989 66.989 67.501 -0.512 25958 1868 1 6 . 1 1 39 39 THR CB C 39 68.845 68.845 68.660 0.185 25958 1869 1 6 . 1 1 39 39 THR H H 39 8.124 8.124 8.601 -0.477 25958 1870 1 6 . 1 1 40 40 TYR N N 40 123.453 123.453 121.541 1.912 25958 1871 1 6 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.135 0.088 25958 1872 1 6 . 1 1 40 40 TYR C C 40 178.058 178.058 178.096 -0.038 25958 1873 1 6 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.285 -0.383 25958 1874 1 6 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.132 0.451 25958 1875 1 6 . 1 1 40 40 TYR H H 40 7.730 7.730 8.603 -0.873 25958 1876 1 6 . 1 1 41 41 ARG N N 41 119.944 119.944 118.789 1.155 25958 1877 1 6 . 1 1 41 41 ARG HA H 41 3.802 3.802 4.053 -0.251 25958 1878 1 6 . 1 1 41 41 ARG C C 41 179.552 179.552 179.057 0.495 25958 1879 1 6 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.181 1.306 25958 1880 1 6 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.669 0.409 25958 1881 1 6 . 1 1 41 41 ARG H H 41 8.635 8.635 8.071 0.564 25958 1882 1 6 . 1 1 42 42 GLN N N 42 119.455 119.455 119.122 0.333 25958 1883 1 6 . 1 1 42 42 GLN HA H 42 4.083 4.083 4.034 0.049 25958 1884 1 6 . 1 1 42 42 GLN C C 42 178.700 178.700 178.395 0.305 25958 1885 1 6 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.031 -0.202 25958 1886 1 6 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.425 -0.074 25958 1887 1 6 . 1 1 42 42 GLN H H 42 8.225 8.225 8.170 0.055 25958 1888 1 6 . 1 1 43 43 GLN N N 43 118.905 118.905 119.504 -0.599 25958 1889 1 6 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.935 0.153 25958 1890 1 6 . 1 1 43 43 GLN C C 43 178.664 178.664 178.171 0.493 25958 1891 1 6 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.363 -1.016 25958 1892 1 6 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.472 -0.293 25958 1893 1 6 . 1 1 43 43 GLN H H 43 7.894 7.894 8.522 -0.628 25958 1894 1 6 . 1 1 44 44 GLN N N 44 117.762 117.762 118.646 -0.884 25958 1895 1 6 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.034 -0.087 25958 1896 1 6 . 1 1 44 44 GLN C C 44 178.320 178.320 178.649 -0.329 25958 1897 1 6 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.655 -1.370 25958 1898 1 6 . 1 1 44 44 GLN CB C 44 28.161 28.161 27.740 0.421 25958 1899 1 6 . 1 1 44 44 GLN H H 44 8.034 8.034 8.220 -0.186 25958 1900 1 6 . 1 1 45 45 GLN N N 45 119.382 119.382 119.216 0.166 25958 1901 1 6 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.996 0.195 25958 1902 1 6 . 1 1 45 45 GLN C C 45 177.742 177.742 178.278 -0.536 25958 1903 1 6 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.671 -0.500 25958 1904 1 6 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.640 -0.147 25958 1905 1 6 . 1 1 45 45 GLN H H 45 7.997 7.997 7.653 0.344 25958 1906 1 6 . 1 1 46 46 GLN N N 46 118.664 118.664 118.410 0.254 25958 1907 1 6 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.130 0.066 25958 1908 1 6 . 1 1 46 46 GLN C C 46 177.540 177.540 178.331 -0.791 25958 1909 1 6 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.307 -0.622 25958 1910 1 6 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.713 0.030 25958 1911 1 6 . 1 1 46 46 GLN H H 46 7.870 7.870 8.133 -0.263 25958 1912 1 6 . 1 1 47 47 GLN N N 47 118.622 118.622 120.256 -1.634 25958 1913 1 6 . 1 1 47 47 GLN C C 47 177.073 177.073 177.930 -0.857 25958 1914 1 6 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.162 -1.834 25958 1915 1 6 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.625 0.300 25958 1916 1 6 . 1 1 47 47 GLN H H 47 8.043 8.043 8.690 -0.647 25958 1917 1 6 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.250 0.323 25958 1918 1 6 . 1 1 48 48 HIS C C 48 176.277 176.277 177.050 -0.773 25958 1919 1 6 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.847 -0.934 25958 1920 1 6 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.843 0.376 25958 1921 1 6 . 1 1 49 49 GLN N N 49 119.554 119.554 116.761 2.793 25958 1922 1 6 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.204 0.011 25958 1923 1 6 . 1 1 49 49 GLN C C 49 176.896 176.896 177.550 -0.654 25958 1924 1 6 . 1 1 49 49 GLN CA C 49 57.545 57.545 57.924 -0.379 25958 1925 1 6 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.928 -0.054 25958 1926 1 6 . 1 1 49 49 GLN H H 49 8.117 8.117 8.093 0.024 25958 1927 1 6 . 1 1 50 50 HIS N N 50 118.665 118.665 118.276 0.389 25958 1928 1 6 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.627 -0.079 25958 1929 1 6 . 1 1 50 50 HIS C C 50 176.265 176.265 176.895 -0.630 25958 1930 1 6 . 1 1 50 50 HIS CA C 50 57.300 57.300 56.115 1.185 25958 1931 1 6 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.861 -0.672 25958 1932 1 6 . 1 1 50 50 HIS H H 50 8.138 8.138 7.760 0.378 25958 1933 1 6 . 1 1 51 51 LEU N N 51 121.208 121.208 122.012 -0.804 25958 1934 1 6 . 1 1 51 51 LEU HA H 51 4.170 4.170 3.964 0.206 25958 1935 1 6 . 1 1 51 51 LEU C C 51 177.627 177.627 177.676 -0.049 25958 1936 1 6 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.727 -1.524 25958 1937 1 6 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.593 0.551 25958 1938 1 6 . 1 1 51 51 LEU H H 51 7.809 7.809 7.778 0.031 25958 1939 1 6 . 1 1 52 52 LEU N N 52 120.700 120.700 118.789 1.911 25958 1940 1 6 . 1 1 52 52 LEU HA H 52 4.178 4.178 3.938 0.240 25958 1941 1 6 . 1 1 52 52 LEU C C 52 177.799 177.799 176.778 1.021 25958 1942 1 6 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.678 0.315 25958 1943 1 6 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.210 -0.092 25958 1944 1 6 . 1 1 52 52 LEU H H 52 7.924 7.924 7.643 0.281 25958 1945 1 6 . 1 1 53 53 GLN N N 53 119.631 119.631 117.807 1.824 25958 1946 1 6 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.666 0.549 25958 1947 1 6 . 1 1 53 53 GLN C C 53 176.327 176.327 175.525 0.802 25958 1948 1 6 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.147 0.345 25958 1949 1 6 . 1 1 53 53 GLN CB C 53 29.202 29.202 27.369 1.833 25958 1950 1 6 . 1 1 53 53 GLN H H 53 7.986 7.986 7.424 0.562 25958 1951 1 6 . 1 1 54 54 LYS N N 54 121.278 121.278 123.800 -2.522 25958 1952 1 6 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.031 0.196 25958 1953 1 6 . 1 1 54 54 LYS C C 54 176.812 176.812 177.768 -0.956 25958 1954 1 6 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.896 -0.216 25958 1955 1 6 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.169 -0.271 25958 1956 1 6 . 1 1 54 54 LYS H H 54 8.053 8.053 8.206 -0.153 25958 1957 1 6 . 1 1 55 55 GLN N N 55 120.539 120.539 122.671 -2.132 25958 1958 1 6 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.175 0.147 25958 1959 1 6 . 1 1 55 55 GLN C C 55 176.291 176.291 174.877 1.414 25958 1960 1 6 . 1 1 55 55 GLN CA C 55 56.199 56.199 57.129 -0.930 25958 1961 1 6 . 1 1 55 55 GLN CB C 55 29.392 29.392 27.393 1.999 25958 1962 1 6 . 1 1 55 55 GLN H H 55 8.249 8.249 8.622 -0.373 25958 1963 1 6 . 1 1 56 56 THR N N 56 114.334 114.334 115.975 -1.641 25958 1964 1 6 . 1 1 56 56 THR HA H 56 4.347 4.347 4.521 -0.174 25958 1965 1 6 . 1 1 56 56 THR C C 56 174.526 174.526 173.861 0.665 25958 1966 1 6 . 1 1 56 56 THR CA C 56 62.075 62.075 61.376 0.699 25958 1967 1 6 . 1 1 56 56 THR CB C 56 69.852 69.852 69.675 0.176 25958 1968 1 6 . 1 1 56 56 THR H H 56 8.063 8.063 8.026 0.037 25958 1969 1 6 . 1 1 57 57 SER N N 57 117.856 117.856 120.951 -3.095 25958 1970 1 6 . 1 1 57 57 SER HA H 57 4.502 4.502 4.376 0.126 25958 1971 1 6 . 1 1 57 57 SER C C 57 174.275 174.275 174.179 0.096 25958 1972 1 6 . 1 1 57 57 SER CA C 57 58.405 58.405 58.944 -0.539 25958 1973 1 6 . 1 1 57 57 SER CB C 57 63.949 63.949 63.601 0.348 25958 1974 1 6 . 1 1 57 57 SER H H 57 8.163 8.163 8.605 -0.442 25958 1975 1 6 . 1 1 58 58 ILE N N 58 122.144 122.144 124.802 -2.658 25958 1976 1 6 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.166 0.028 25958 1977 1 6 . 1 1 58 58 ILE C C 58 176.006 176.006 174.719 1.287 25958 1978 1 6 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.582 -0.307 25958 1979 1 6 . 1 1 58 58 ILE CB C 58 38.820 38.820 39.305 -0.485 25958 1980 1 6 . 1 1 58 58 ILE H H 58 8.049 8.049 8.513 -0.464 25958 1981 1 6 . 1 1 59 59 GLN N N 59 124.842 124.842 122.583 2.259 25958 1982 1 6 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.241 0.175 25958 1983 1 6 . 1 1 59 59 GLN C C 59 174.974 174.974 175.684 -0.710 25958 1984 1 6 . 1 1 59 59 GLN CA C 59 55.845 55.845 56.865 -1.020 25958 1985 1 6 . 1 1 59 59 GLN CB C 59 29.748 29.748 28.663 1.085 25958 1986 1 6 . 1 1 59 59 GLN H H 59 8.327 8.327 8.195 0.132 25958 1987 1 7 . 1 1 2 2 ASP N N 2 121.276 121.276 122.108 -0.832 25958 1988 1 7 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.763 -0.080 25958 1989 1 7 . 1 1 2 2 ASP C C 2 175.828 175.828 175.744 0.084 25958 1990 1 7 . 1 1 2 2 ASP CA C 2 54.685 54.685 54.876 -0.191 25958 1991 1 7 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.319 -0.345 25958 1992 1 7 . 1 1 2 2 ASP H H 2 8.555 8.555 8.195 0.360 25958 1993 1 7 . 1 1 3 3 ASP N N 3 119.296 119.296 119.641 -0.345 25958 1994 1 7 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.724 -0.144 25958 1995 1 7 . 1 1 3 3 ASP C C 3 175.884 175.884 175.226 0.658 25958 1996 1 7 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.592 0.527 25958 1997 1 7 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.139 0.166 25958 1998 1 7 . 1 1 3 3 ASP H H 3 8.004 8.004 7.789 0.215 25958 1999 1 7 . 1 1 4 4 GLU N N 4 120.922 120.922 120.234 0.688 25958 2000 1 7 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.251 -0.116 25958 2001 1 7 . 1 1 4 4 GLU C C 4 174.979 174.979 176.125 -1.146 25958 2002 1 7 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.764 0.107 25958 2003 1 7 . 1 1 4 4 GLU CB C 4 30.780 30.780 30.535 0.245 25958 2004 1 7 . 1 1 4 4 GLU H H 4 7.945 7.945 8.179 -0.234 25958 2005 1 7 . 1 1 5 5 LEU N N 5 124.551 124.551 125.443 -0.892 25958 2006 1 7 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.386 0.153 25958 2007 1 7 . 1 1 5 5 LEU C C 5 175.305 175.305 176.275 -0.970 25958 2008 1 7 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.961 -0.090 25958 2009 1 7 . 1 1 5 5 LEU CB C 5 42.841 42.841 42.123 0.718 25958 2010 1 7 . 1 1 5 5 LEU H H 5 8.042 8.042 8.286 -0.244 25958 2011 1 7 . 1 1 6 6 LEU N N 6 127.945 127.945 127.087 0.858 25958 2012 1 7 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.735 -0.223 25958 2013 1 7 . 1 1 6 6 LEU C C 6 174.919 174.919 176.664 -1.745 25958 2014 1 7 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.018 -0.501 25958 2015 1 7 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.382 2.207 25958 2016 1 7 . 1 1 6 6 LEU H H 6 8.799 8.799 8.311 0.488 25958 2017 1 7 . 1 1 7 7 TYR N N 7 117.176 117.176 121.293 -4.117 25958 2018 1 7 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.959 0.198 25958 2019 1 7 . 1 1 7 7 TYR C C 7 175.335 175.335 175.059 0.276 25958 2020 1 7 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.484 -0.053 25958 2021 1 7 . 1 1 7 7 TYR CB C 7 40.944 40.944 41.363 -0.419 25958 2022 1 7 . 1 1 7 7 TYR H H 7 8.583 8.583 8.532 0.051 25958 2023 1 7 . 1 1 8 8 LEU N N 8 128.094 128.094 126.525 1.569 25958 2024 1 7 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.885 0.267 25958 2025 1 7 . 1 1 8 8 LEU C C 8 173.946 173.946 174.406 -0.460 25958 2026 1 7 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.639 -1.021 25958 2027 1 7 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.451 1.961 25958 2028 1 7 . 1 1 8 8 LEU H H 8 9.308 9.308 8.545 0.763 25958 2029 1 7 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.660 -0.133 25958 2030 1 7 . 1 1 9 9 PRO C C 9 176.758 176.758 176.290 0.468 25958 2031 1 7 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.846 -0.756 25958 2032 1 7 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.849 0.024 25958 2033 1 7 . 1 1 10 10 VAL N N 10 124.047 124.047 121.619 2.428 25958 2034 1 7 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.279 -0.070 25958 2035 1 7 . 1 1 10 10 VAL C C 10 173.446 173.446 175.275 -1.829 25958 2036 1 7 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.751 -0.133 25958 2037 1 7 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.068 0.601 25958 2038 1 7 . 1 1 10 10 VAL H H 10 9.193 9.193 8.056 1.137 25958 2039 1 7 . 1 1 11 11 ARG N N 11 127.433 127.433 125.170 2.263 25958 2040 1 7 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.709 -0.010 25958 2041 1 7 . 1 1 11 11 ARG C C 11 176.092 176.092 175.413 0.679 25958 2042 1 7 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.596 -0.229 25958 2043 1 7 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.460 0.145 25958 2044 1 7 . 1 1 11 11 ARG H H 11 9.053 9.053 8.612 0.441 25958 2045 1 7 . 1 1 12 12 GLY N N 12 115.279 115.279 111.528 3.751 25958 2046 1 7 . 1 1 12 12 GLY C C 12 173.823 173.823 174.514 -0.691 25958 2047 1 7 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.241 -0.290 25958 2048 1 7 . 1 1 12 12 GLY H H 12 8.614 8.614 8.440 0.174 25958 2049 1 7 . 1 1 13 13 ARG N N 13 125.500 125.500 124.197 1.303 25958 2050 1 7 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.176 -0.324 25958 2051 1 7 . 1 1 13 13 ARG C C 13 177.793 177.793 178.078 -0.285 25958 2052 1 7 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.608 0.596 25958 2053 1 7 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.425 -0.658 25958 2054 1 7 . 1 1 13 13 ARG H H 13 8.774 8.774 8.717 0.057 25958 2055 1 7 . 1 1 14 14 GLU N N 14 119.254 119.254 118.446 0.808 25958 2056 1 7 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.173 -0.091 25958 2057 1 7 . 1 1 14 14 GLU C C 14 179.794 179.794 178.636 1.158 25958 2058 1 7 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.684 0.679 25958 2059 1 7 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.097 -0.138 25958 2060 1 7 . 1 1 14 14 GLU H H 14 8.888 8.888 8.861 0.027 25958 2061 1 7 . 1 1 15 15 THR N N 15 117.699 117.699 116.359 1.340 25958 2062 1 7 . 1 1 15 15 THR HA H 15 3.784 3.784 4.033 -0.249 25958 2063 1 7 . 1 1 15 15 THR C C 15 175.457 175.457 176.298 -0.841 25958 2064 1 7 . 1 1 15 15 THR CA C 15 66.498 66.498 66.603 -0.105 25958 2065 1 7 . 1 1 15 15 THR CB C 15 67.813 67.813 68.571 -0.758 25958 2066 1 7 . 1 1 15 15 THR H H 15 7.958 7.958 8.029 -0.071 25958 2067 1 7 . 1 1 16 16 TYR N N 16 122.365 122.365 122.139 0.226 25958 2068 1 7 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.013 -0.271 25958 2069 1 7 . 1 1 16 16 TYR C C 16 175.895 175.895 177.588 -1.693 25958 2070 1 7 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.468 1.628 25958 2071 1 7 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.675 0.549 25958 2072 1 7 . 1 1 16 16 TYR H H 16 8.042 8.042 8.570 -0.528 25958 2073 1 7 . 1 1 17 17 GLU N N 17 116.940 116.940 119.000 -2.060 25958 2074 1 7 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.767 0.060 25958 2075 1 7 . 1 1 17 17 GLU C C 17 179.448 179.448 178.712 0.736 25958 2076 1 7 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.724 0.156 25958 2077 1 7 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.651 -0.406 25958 2078 1 7 . 1 1 17 17 GLU H H 17 8.713 8.713 7.787 0.926 25958 2079 1 7 . 1 1 18 18 MET N N 18 118.965 118.965 117.873 1.092 25958 2080 1 7 . 1 1 18 18 MET HA H 18 4.291 4.291 4.138 0.153 25958 2081 1 7 . 1 1 18 18 MET C C 18 178.050 178.050 178.383 -0.333 25958 2082 1 7 . 1 1 18 18 MET CA C 18 58.815 58.815 58.843 -0.028 25958 2083 1 7 . 1 1 18 18 MET CB C 18 32.736 32.736 32.491 0.245 25958 2084 1 7 . 1 1 18 18 MET H H 18 7.505 7.505 7.647 -0.142 25958 2085 1 7 . 1 1 19 19 LEU N N 19 117.499 117.499 120.919 -3.420 25958 2086 1 7 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.033 -0.210 25958 2087 1 7 . 1 1 19 19 LEU C C 19 178.443 178.443 179.084 -0.641 25958 2088 1 7 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.982 -0.421 25958 2089 1 7 . 1 1 19 19 LEU CB C 19 41.755 41.755 40.669 1.086 25958 2090 1 7 . 1 1 19 19 LEU H H 19 8.151 8.151 8.582 -0.431 25958 2091 1 7 . 1 1 20 20 LEU N N 20 120.873 120.873 120.225 0.648 25958 2092 1 7 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.658 0.106 25958 2093 1 7 . 1 1 20 20 LEU C C 20 178.475 178.475 178.535 -0.060 25958 2094 1 7 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.250 0.452 25958 2095 1 7 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.447 0.418 25958 2096 1 7 . 1 1 20 20 LEU H H 20 8.649 8.649 8.154 0.495 25958 2097 1 7 . 1 1 21 21 GLU N N 21 118.433 118.433 118.980 -0.547 25958 2098 1 7 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.864 0.197 25958 2099 1 7 . 1 1 21 21 GLU C C 21 179.572 179.572 179.306 0.266 25958 2100 1 7 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.794 -0.094 25958 2101 1 7 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.562 -0.268 25958 2102 1 7 . 1 1 21 21 GLU H H 21 7.379 7.379 7.671 -0.292 25958 2103 1 7 . 1 1 22 22 ILE N N 22 116.978 116.978 119.571 -2.593 25958 2104 1 7 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.764 -0.049 25958 2105 1 7 . 1 1 22 22 ILE C C 22 177.909 177.909 178.667 -0.758 25958 2106 1 7 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.011 -0.492 25958 2107 1 7 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.987 -0.075 25958 2108 1 7 . 1 1 22 22 ILE H H 22 7.649 7.649 8.310 -0.661 25958 2109 1 7 . 1 1 23 23 LYS N N 23 122.631 122.631 121.420 1.211 25958 2110 1 7 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.840 -0.132 25958 2111 1 7 . 1 1 23 23 LYS C C 23 177.322 177.322 178.289 -0.967 25958 2112 1 7 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.738 0.805 25958 2113 1 7 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.932 0.563 25958 2114 1 7 . 1 1 23 23 LYS H H 23 9.094 9.094 8.278 0.816 25958 2115 1 7 . 1 1 24 24 GLU N N 24 117.756 117.756 118.514 -0.758 25958 2116 1 7 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.976 0.265 25958 2117 1 7 . 1 1 24 24 GLU C C 24 177.755 177.755 179.043 -1.288 25958 2118 1 7 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.864 -0.097 25958 2119 1 7 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.406 0.361 25958 2120 1 7 . 1 1 24 24 GLU H H 24 8.320 8.320 8.430 -0.110 25958 2121 1 7 . 1 1 25 25 SER N N 25 114.010 114.010 116.384 -2.374 25958 2122 1 7 . 1 1 25 25 SER HA H 25 4.174 4.174 4.184 -0.010 25958 2123 1 7 . 1 1 25 25 SER C C 25 175.840 175.840 176.593 -0.753 25958 2124 1 7 . 1 1 25 25 SER CA C 25 62.272 62.272 61.884 0.388 25958 2125 1 7 . 1 1 25 25 SER CB C 25 63.277 63.277 62.991 0.286 25958 2126 1 7 . 1 1 25 25 SER H H 25 7.425 7.425 7.734 -0.309 25958 2127 1 7 . 1 1 26 26 LEU N N 26 122.202 122.202 123.795 -1.593 25958 2128 1 7 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.129 -0.084 25958 2129 1 7 . 1 1 26 26 LEU C C 26 180.418 180.418 178.609 1.809 25958 2130 1 7 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.821 0.178 25958 2131 1 7 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.321 1.389 25958 2132 1 7 . 1 1 26 26 LEU H H 26 7.625 7.625 8.242 -0.617 25958 2133 1 7 . 1 1 27 27 GLU N N 27 118.591 118.591 119.305 -0.714 25958 2134 1 7 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.942 0.137 25958 2135 1 7 . 1 1 27 27 GLU C C 27 180.128 180.128 179.114 1.014 25958 2136 1 7 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.619 0.017 25958 2137 1 7 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.073 0.484 25958 2138 1 7 . 1 1 27 27 GLU H H 27 8.593 8.593 8.136 0.457 25958 2139 1 7 . 1 1 28 28 LEU N N 28 119.793 119.793 121.853 -2.060 25958 2140 1 7 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.062 -0.095 25958 2141 1 7 . 1 1 28 28 LEU C C 28 178.567 178.567 178.978 -0.411 25958 2142 1 7 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.912 -0.623 25958 2143 1 7 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.843 0.004 25958 2144 1 7 . 1 1 28 28 LEU H H 28 8.468 8.468 7.828 0.640 25958 2145 1 7 . 1 1 29 29 MET N N 29 115.804 115.804 117.111 -1.307 25958 2146 1 7 . 1 1 29 29 MET HA H 29 3.928 3.928 4.026 -0.098 25958 2147 1 7 . 1 1 29 29 MET C C 29 177.907 177.907 178.316 -0.409 25958 2148 1 7 . 1 1 29 29 MET CA C 29 58.463 58.463 58.356 0.107 25958 2149 1 7 . 1 1 29 29 MET CB C 29 33.047 33.047 31.949 1.098 25958 2150 1 7 . 1 1 29 29 MET H H 29 7.279 7.279 8.203 -0.924 25958 2151 1 7 . 1 1 30 30 GLN N N 30 114.048 114.048 117.892 -3.844 25958 2152 1 7 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.176 -0.056 25958 2153 1 7 . 1 1 30 30 GLN C C 30 176.520 176.520 178.304 -1.784 25958 2154 1 7 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.212 -1.277 25958 2155 1 7 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.509 -1.167 25958 2156 1 7 . 1 1 30 30 GLN H H 30 7.138 7.138 7.972 -0.834 25958 2157 1 7 . 1 1 31 31 TYR N N 31 117.000 117.000 117.857 -0.857 25958 2158 1 7 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.337 0.146 25958 2159 1 7 . 1 1 31 31 TYR C C 31 176.095 176.095 175.942 0.153 25958 2160 1 7 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.762 -1.337 25958 2161 1 7 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.667 -1.175 25958 2162 1 7 . 1 1 31 31 TYR H H 31 7.764 7.764 8.329 -0.565 25958 2163 1 7 . 1 1 32 32 LEU N N 32 120.517 120.517 121.039 -0.522 25958 2164 1 7 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.876 -1.970 25958 2165 1 7 . 1 1 32 32 LEU C C 32 174.141 174.141 174.305 -0.164 25958 2166 1 7 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.534 0.803 25958 2167 1 7 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.721 -1.452 25958 2168 1 7 . 1 1 32 32 LEU H H 32 7.368 7.368 8.031 -0.663 25958 2169 1 7 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.041 0.506 25958 2170 1 7 . 1 1 34 34 GLN CB C 34 32.286 32.286 30.249 2.037 25958 2171 1 7 . 1 1 35 35 HIS N N 35 124.090 124.090 123.117 0.973 25958 2172 1 7 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.366 0.106 25958 2173 1 7 . 1 1 35 35 HIS C C 35 177.836 177.836 177.075 0.761 25958 2174 1 7 . 1 1 35 35 HIS CA C 35 59.366 59.366 59.225 0.141 25958 2175 1 7 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.315 0.197 25958 2176 1 7 . 1 1 35 35 HIS H H 35 8.869 8.869 8.505 0.364 25958 2177 1 7 . 1 1 36 36 THR N N 36 119.182 119.182 117.256 1.926 25958 2178 1 7 . 1 1 36 36 THR HA H 36 3.946 3.946 4.103 -0.157 25958 2179 1 7 . 1 1 36 36 THR C C 36 176.029 176.029 176.709 -0.680 25958 2180 1 7 . 1 1 36 36 THR CA C 36 66.606 66.606 66.964 -0.358 25958 2181 1 7 . 1 1 36 36 THR CB C 36 68.598 68.598 68.382 0.216 25958 2182 1 7 . 1 1 36 36 THR H H 36 7.138 7.138 8.405 -1.267 25958 2183 1 7 . 1 1 37 37 ILE N N 37 122.903 122.903 121.458 1.445 25958 2184 1 7 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.721 -0.159 25958 2185 1 7 . 1 1 37 37 ILE C C 37 177.685 177.685 177.848 -0.163 25958 2186 1 7 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.880 0.787 25958 2187 1 7 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.699 0.505 25958 2188 1 7 . 1 1 37 37 ILE H H 37 7.193 7.193 7.519 -0.326 25958 2189 1 7 . 1 1 38 38 GLU N N 38 118.719 118.719 119.811 -1.092 25958 2190 1 7 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.947 0.102 25958 2191 1 7 . 1 1 38 38 GLU C C 38 179.575 179.575 178.807 0.768 25958 2192 1 7 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.105 -0.360 25958 2193 1 7 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.551 -0.110 25958 2194 1 7 . 1 1 38 38 GLU H H 38 8.578 8.578 7.920 0.658 25958 2195 1 7 . 1 1 39 39 THR N N 39 116.297 116.297 115.297 1.000 25958 2196 1 7 . 1 1 39 39 THR HA H 39 3.936 3.936 3.985 -0.049 25958 2197 1 7 . 1 1 39 39 THR C C 39 176.203 176.203 176.681 -0.478 25958 2198 1 7 . 1 1 39 39 THR CA C 39 66.989 66.989 66.531 0.458 25958 2199 1 7 . 1 1 39 39 THR CB C 39 68.845 68.845 68.490 0.355 25958 2200 1 7 . 1 1 39 39 THR H H 39 8.124 8.124 8.571 -0.447 25958 2201 1 7 . 1 1 40 40 TYR N N 40 123.453 123.453 123.297 0.156 25958 2202 1 7 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.234 -0.011 25958 2203 1 7 . 1 1 40 40 TYR C C 40 178.058 178.058 177.657 0.401 25958 2204 1 7 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.837 0.065 25958 2205 1 7 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.362 0.221 25958 2206 1 7 . 1 1 40 40 TYR H H 40 7.730 7.730 8.618 -0.888 25958 2207 1 7 . 1 1 41 41 ARG N N 41 119.944 119.944 119.535 0.409 25958 2208 1 7 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.906 -0.104 25958 2209 1 7 . 1 1 41 41 ARG C C 41 179.552 179.552 178.152 1.400 25958 2210 1 7 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.897 0.590 25958 2211 1 7 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.024 0.054 25958 2212 1 7 . 1 1 41 41 ARG H H 41 8.635 8.635 8.100 0.535 25958 2213 1 7 . 1 1 42 42 GLN N N 42 119.455 119.455 119.761 -0.306 25958 2214 1 7 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.971 0.112 25958 2215 1 7 . 1 1 42 42 GLN C C 42 178.700 178.700 178.619 0.081 25958 2216 1 7 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.163 -0.335 25958 2217 1 7 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.584 -0.232 25958 2218 1 7 . 1 1 42 42 GLN H H 42 8.225 8.225 8.173 0.052 25958 2219 1 7 . 1 1 43 43 GLN N N 43 118.905 118.905 118.424 0.481 25958 2220 1 7 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.912 0.176 25958 2221 1 7 . 1 1 43 43 GLN C C 43 178.664 178.664 178.387 0.277 25958 2222 1 7 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.046 -0.699 25958 2223 1 7 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.526 -0.347 25958 2224 1 7 . 1 1 43 43 GLN H H 43 7.894 7.894 8.562 -0.668 25958 2225 1 7 . 1 1 44 44 GLN N N 44 117.762 117.762 119.426 -1.664 25958 2226 1 7 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.876 0.071 25958 2227 1 7 . 1 1 44 44 GLN C C 44 178.320 178.320 178.538 -0.218 25958 2228 1 7 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.598 -1.313 25958 2229 1 7 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.072 0.089 25958 2230 1 7 . 1 1 44 44 GLN H H 44 8.034 8.034 8.065 -0.031 25958 2231 1 7 . 1 1 45 45 GLN N N 45 119.382 119.382 119.025 0.357 25958 2232 1 7 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.989 0.202 25958 2233 1 7 . 1 1 45 45 GLN C C 45 177.742 177.742 178.552 -0.810 25958 2234 1 7 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.854 -0.683 25958 2235 1 7 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.790 -0.297 25958 2236 1 7 . 1 1 45 45 GLN H H 45 7.997 7.997 8.332 -0.335 25958 2237 1 7 . 1 1 46 46 GLN N N 46 118.664 118.664 119.708 -1.044 25958 2238 1 7 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.982 0.214 25958 2239 1 7 . 1 1 46 46 GLN C C 46 177.540 177.540 178.223 -0.683 25958 2240 1 7 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.794 -1.109 25958 2241 1 7 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.595 0.148 25958 2242 1 7 . 1 1 46 46 GLN H H 46 7.870 7.870 8.312 -0.442 25958 2243 1 7 . 1 1 47 47 GLN N N 47 118.622 118.622 119.031 -0.409 25958 2244 1 7 . 1 1 47 47 GLN C C 47 177.073 177.073 177.659 -0.586 25958 2245 1 7 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.768 -1.440 25958 2246 1 7 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.546 0.379 25958 2247 1 7 . 1 1 47 47 GLN H H 47 8.043 8.043 8.321 -0.278 25958 2248 1 7 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.305 0.268 25958 2249 1 7 . 1 1 48 48 HIS C C 48 176.277 176.277 177.817 -1.540 25958 2250 1 7 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.554 -0.641 25958 2251 1 7 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.014 0.205 25958 2252 1 7 . 1 1 49 49 GLN N N 49 119.554 119.554 118.972 0.582 25958 2253 1 7 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.016 0.199 25958 2254 1 7 . 1 1 49 49 GLN C C 49 176.896 176.896 177.804 -0.908 25958 2255 1 7 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.609 -1.064 25958 2256 1 7 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.829 0.045 25958 2257 1 7 . 1 1 49 49 GLN H H 49 8.117 8.117 7.777 0.340 25958 2258 1 7 . 1 1 50 50 HIS N N 50 118.665 118.665 116.623 2.042 25958 2259 1 7 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.553 -0.005 25958 2260 1 7 . 1 1 50 50 HIS C C 50 176.265 176.265 176.537 -0.272 25958 2261 1 7 . 1 1 50 50 HIS CA C 50 57.300 57.300 56.407 0.893 25958 2262 1 7 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.524 0.665 25958 2263 1 7 . 1 1 50 50 HIS H H 50 8.138 8.138 7.970 0.168 25958 2264 1 7 . 1 1 51 51 LEU N N 51 121.208 121.208 120.761 0.447 25958 2265 1 7 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.174 -0.004 25958 2266 1 7 . 1 1 51 51 LEU C C 51 177.627 177.627 177.755 -0.128 25958 2267 1 7 . 1 1 51 51 LEU CA C 51 56.203 56.203 56.561 -0.358 25958 2268 1 7 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.038 1.106 25958 2269 1 7 . 1 1 51 51 LEU H H 51 7.809 7.809 7.241 0.568 25958 2270 1 7 . 1 1 52 52 LEU N N 52 120.700 120.700 116.213 4.487 25958 2271 1 7 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.121 0.057 25958 2272 1 7 . 1 1 52 52 LEU C C 52 177.799 177.799 177.641 0.158 25958 2273 1 7 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.717 0.276 25958 2274 1 7 . 1 1 52 52 LEU CB C 52 42.118 42.118 41.510 0.608 25958 2275 1 7 . 1 1 52 52 LEU H H 52 7.924 7.924 7.781 0.143 25958 2276 1 7 . 1 1 53 53 GLN N N 53 119.631 119.631 118.051 1.580 25958 2277 1 7 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.508 -0.293 25958 2278 1 7 . 1 1 53 53 GLN C C 53 176.327 176.327 175.089 1.238 25958 2279 1 7 . 1 1 53 53 GLN CA C 53 56.492 56.492 54.866 1.626 25958 2280 1 7 . 1 1 53 53 GLN CB C 53 29.202 29.202 29.971 -0.769 25958 2281 1 7 . 1 1 53 53 GLN H H 53 7.986 7.986 7.707 0.279 25958 2282 1 7 . 1 1 54 54 LYS N N 54 121.278 121.278 119.559 1.719 25958 2283 1 7 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.204 0.023 25958 2284 1 7 . 1 1 54 54 LYS C C 54 176.812 176.812 175.646 1.166 25958 2285 1 7 . 1 1 54 54 LYS CA C 54 56.680 56.680 57.219 -0.540 25958 2286 1 7 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.527 0.371 25958 2287 1 7 . 1 1 54 54 LYS H H 54 8.053 8.053 8.408 -0.355 25958 2288 1 7 . 1 1 55 55 GLN N N 55 120.539 120.539 121.166 -0.627 25958 2289 1 7 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.431 -0.109 25958 2290 1 7 . 1 1 55 55 GLN C C 55 176.291 176.291 173.922 2.369 25958 2291 1 7 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.311 0.888 25958 2292 1 7 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.798 -0.406 25958 2293 1 7 . 1 1 55 55 GLN H H 55 8.249 8.249 8.484 -0.235 25958 2294 1 7 . 1 1 56 56 THR N N 56 114.334 114.334 114.010 0.324 25958 2295 1 7 . 1 1 56 56 THR HA H 56 4.347 4.347 4.579 -0.232 25958 2296 1 7 . 1 1 56 56 THR C C 56 174.526 174.526 174.855 -0.329 25958 2297 1 7 . 1 1 56 56 THR CA C 56 62.075 62.075 61.514 0.561 25958 2298 1 7 . 1 1 56 56 THR CB C 56 69.852 69.852 70.976 -1.124 25958 2299 1 7 . 1 1 56 56 THR H H 56 8.063 8.063 7.991 0.072 25958 2300 1 7 . 1 1 57 57 SER N N 57 117.856 117.856 119.918 -2.062 25958 2301 1 7 . 1 1 57 57 SER HA H 57 4.502 4.502 4.609 -0.107 25958 2302 1 7 . 1 1 57 57 SER C C 57 174.275 174.275 173.984 0.291 25958 2303 1 7 . 1 1 57 57 SER CA C 57 58.405 58.405 59.217 -0.812 25958 2304 1 7 . 1 1 57 57 SER CB C 57 63.949 63.949 63.179 0.770 25958 2305 1 7 . 1 1 57 57 SER H H 57 8.163 8.163 8.577 -0.414 25958 2306 1 7 . 1 1 58 58 ILE N N 58 122.144 122.144 126.350 -4.206 25958 2307 1 7 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.423 -0.229 25958 2308 1 7 . 1 1 58 58 ILE C C 58 176.006 176.006 174.030 1.976 25958 2309 1 7 . 1 1 58 58 ILE CA C 58 61.275 61.275 60.891 0.384 25958 2310 1 7 . 1 1 58 58 ILE CB C 58 38.820 38.820 40.755 -1.935 25958 2311 1 7 . 1 1 58 58 ILE H H 58 8.049 8.049 8.277 -0.228 25958 2312 1 7 . 1 1 59 59 GLN N N 59 124.842 124.842 123.703 1.139 25958 2313 1 7 . 1 1 59 59 GLN HA H 59 4.416 4.416 5.121 -0.705 25958 2314 1 7 . 1 1 59 59 GLN C C 59 174.974 174.974 173.927 1.047 25958 2315 1 7 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.305 0.540 25958 2316 1 7 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.240 -1.492 25958 2317 1 7 . 1 1 59 59 GLN H H 59 8.327 8.327 8.820 -0.493 25958 2318 1 8 . 1 1 2 2 ASP N N 2 121.276 121.276 124.345 -3.069 25958 2319 1 8 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.589 0.094 25958 2320 1 8 . 1 1 2 2 ASP C C 2 175.828 175.828 175.958 -0.130 25958 2321 1 8 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.160 -0.475 25958 2322 1 8 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.030 0.944 25958 2323 1 8 . 1 1 2 2 ASP H H 2 8.555 8.555 8.595 -0.040 25958 2324 1 8 . 1 1 3 3 ASP N N 3 119.296 119.296 117.868 1.428 25958 2325 1 8 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.515 0.065 25958 2326 1 8 . 1 1 3 3 ASP C C 3 175.884 175.884 176.087 -0.203 25958 2327 1 8 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.929 0.190 25958 2328 1 8 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.864 0.441 25958 2329 1 8 . 1 1 3 3 ASP H H 3 8.004 8.004 7.750 0.254 25958 2330 1 8 . 1 1 4 4 GLU N N 4 120.922 120.922 120.492 0.430 25958 2331 1 8 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.269 -0.134 25958 2332 1 8 . 1 1 4 4 GLU C C 4 174.979 174.979 175.549 -0.570 25958 2333 1 8 . 1 1 4 4 GLU CA C 4 56.871 56.871 55.821 1.050 25958 2334 1 8 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.985 0.795 25958 2335 1 8 . 1 1 4 4 GLU H H 4 7.945 7.945 7.914 0.031 25958 2336 1 8 . 1 1 5 5 LEU N N 5 124.551 124.551 128.851 -4.300 25958 2337 1 8 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.183 0.356 25958 2338 1 8 . 1 1 5 5 LEU C C 5 175.305 175.305 175.670 -0.365 25958 2339 1 8 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.084 -0.214 25958 2340 1 8 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.766 1.075 25958 2341 1 8 . 1 1 5 5 LEU H H 5 8.042 8.042 8.491 -0.449 25958 2342 1 8 . 1 1 6 6 LEU N N 6 127.945 127.945 126.598 1.347 25958 2343 1 8 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.475 0.037 25958 2344 1 8 . 1 1 6 6 LEU C C 6 174.919 174.919 176.228 -1.309 25958 2345 1 8 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.054 -0.537 25958 2346 1 8 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.121 2.468 25958 2347 1 8 . 1 1 6 6 LEU H H 6 8.799 8.799 7.978 0.821 25958 2348 1 8 . 1 1 7 7 TYR N N 7 117.176 117.176 120.395 -3.219 25958 2349 1 8 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.733 0.424 25958 2350 1 8 . 1 1 7 7 TYR C C 7 175.335 175.335 174.981 0.354 25958 2351 1 8 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.615 -0.183 25958 2352 1 8 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.664 1.280 25958 2353 1 8 . 1 1 7 7 TYR H H 7 8.583 8.583 8.349 0.234 25958 2354 1 8 . 1 1 8 8 LEU N N 8 128.094 128.094 128.382 -0.288 25958 2355 1 8 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.901 0.251 25958 2356 1 8 . 1 1 8 8 LEU C C 8 173.946 173.946 174.541 -0.595 25958 2357 1 8 . 1 1 8 8 LEU CA C 8 51.618 51.618 51.428 0.190 25958 2358 1 8 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.625 2.787 25958 2359 1 8 . 1 1 8 8 LEU H H 8 9.308 9.308 8.387 0.921 25958 2360 1 8 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.783 -0.256 25958 2361 1 8 . 1 1 9 9 PRO C C 9 176.758 176.758 175.954 0.804 25958 2362 1 8 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.988 -0.898 25958 2363 1 8 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.963 -0.090 25958 2364 1 8 . 1 1 10 10 VAL N N 10 124.047 124.047 123.406 0.641 25958 2365 1 8 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.378 -0.170 25958 2366 1 8 . 1 1 10 10 VAL C C 10 173.446 173.446 174.752 -1.306 25958 2367 1 8 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.314 0.304 25958 2368 1 8 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.471 0.198 25958 2369 1 8 . 1 1 10 10 VAL H H 10 9.193 9.193 8.180 1.013 25958 2370 1 8 . 1 1 11 11 ARG N N 11 127.433 127.433 124.573 2.860 25958 2371 1 8 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.788 -0.089 25958 2372 1 8 . 1 1 11 11 ARG C C 11 176.092 176.092 175.185 0.907 25958 2373 1 8 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.731 -0.364 25958 2374 1 8 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.506 0.099 25958 2375 1 8 . 1 1 11 11 ARG H H 11 9.053 9.053 8.638 0.415 25958 2376 1 8 . 1 1 12 12 GLY N N 12 115.279 115.279 111.510 3.769 25958 2377 1 8 . 1 1 12 12 GLY C C 12 173.823 173.823 174.678 -0.855 25958 2378 1 8 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.203 -0.252 25958 2379 1 8 . 1 1 12 12 GLY H H 12 8.614 8.614 8.418 0.196 25958 2380 1 8 . 1 1 13 13 ARG N N 13 125.500 125.500 123.483 2.017 25958 2381 1 8 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.035 -0.183 25958 2382 1 8 . 1 1 13 13 ARG C C 13 177.793 177.793 178.194 -0.401 25958 2383 1 8 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.861 0.343 25958 2384 1 8 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.433 -0.666 25958 2385 1 8 . 1 1 13 13 ARG H H 13 8.774 8.774 8.838 -0.064 25958 2386 1 8 . 1 1 14 14 GLU N N 14 119.254 119.254 118.082 1.172 25958 2387 1 8 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.353 -0.271 25958 2388 1 8 . 1 1 14 14 GLU C C 14 179.794 179.794 178.809 0.985 25958 2389 1 8 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.554 0.808 25958 2390 1 8 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.563 0.396 25958 2391 1 8 . 1 1 14 14 GLU H H 14 8.888 8.888 8.860 0.028 25958 2392 1 8 . 1 1 15 15 THR N N 15 117.699 117.699 116.860 0.839 25958 2393 1 8 . 1 1 15 15 THR HA H 15 3.784 3.784 4.087 -0.303 25958 2394 1 8 . 1 1 15 15 THR C C 15 175.457 175.457 176.387 -0.930 25958 2395 1 8 . 1 1 15 15 THR CA C 15 66.498 66.498 66.627 -0.129 25958 2396 1 8 . 1 1 15 15 THR CB C 15 67.813 67.813 68.323 -0.510 25958 2397 1 8 . 1 1 15 15 THR H H 15 7.958 7.958 8.164 -0.206 25958 2398 1 8 . 1 1 16 16 TYR N N 16 122.365 122.365 122.558 -0.193 25958 2399 1 8 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.110 -0.368 25958 2400 1 8 . 1 1 16 16 TYR C C 16 175.895 175.895 177.523 -1.628 25958 2401 1 8 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.298 1.798 25958 2402 1 8 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.457 0.767 25958 2403 1 8 . 1 1 16 16 TYR H H 16 8.042 8.042 8.571 -0.529 25958 2404 1 8 . 1 1 17 17 GLU N N 17 116.940 116.940 119.133 -2.193 25958 2405 1 8 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.882 -0.055 25958 2406 1 8 . 1 1 17 17 GLU C C 17 179.448 179.448 178.911 0.537 25958 2407 1 8 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.575 0.304 25958 2408 1 8 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.541 -0.296 25958 2409 1 8 . 1 1 17 17 GLU H H 17 8.713 8.713 7.920 0.793 25958 2410 1 8 . 1 1 18 18 MET N N 18 118.965 118.965 120.015 -1.050 25958 2411 1 8 . 1 1 18 18 MET HA H 18 4.291 4.291 4.076 0.215 25958 2412 1 8 . 1 1 18 18 MET C C 18 178.050 178.050 178.262 -0.212 25958 2413 1 8 . 1 1 18 18 MET CA C 18 58.815 58.815 59.344 -0.530 25958 2414 1 8 . 1 1 18 18 MET CB C 18 32.736 32.736 32.775 -0.039 25958 2415 1 8 . 1 1 18 18 MET H H 18 7.505 7.505 8.507 -1.002 25958 2416 1 8 . 1 1 19 19 LEU N N 19 117.499 117.499 119.093 -1.594 25958 2417 1 8 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.074 -0.251 25958 2418 1 8 . 1 1 19 19 LEU C C 19 178.443 178.443 179.088 -0.645 25958 2419 1 8 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.984 -0.423 25958 2420 1 8 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.255 0.500 25958 2421 1 8 . 1 1 19 19 LEU H H 19 8.151 8.151 7.718 0.433 25958 2422 1 8 . 1 1 20 20 LEU N N 20 120.873 120.873 121.402 -0.529 25958 2423 1 8 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.834 -0.070 25958 2424 1 8 . 1 1 20 20 LEU C C 20 178.475 178.475 178.338 0.137 25958 2425 1 8 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.679 0.023 25958 2426 1 8 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.749 0.116 25958 2427 1 8 . 1 1 20 20 LEU H H 20 8.649 8.649 8.357 0.292 25958 2428 1 8 . 1 1 21 21 GLU N N 21 118.433 118.433 119.738 -1.305 25958 2429 1 8 . 1 1 21 21 GLU HA H 21 4.061 4.061 4.004 0.057 25958 2430 1 8 . 1 1 21 21 GLU C C 21 179.572 179.572 179.376 0.196 25958 2431 1 8 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.469 0.231 25958 2432 1 8 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.657 -0.363 25958 2433 1 8 . 1 1 21 21 GLU H H 21 7.379 7.379 8.344 -0.965 25958 2434 1 8 . 1 1 22 22 ILE N N 22 116.978 116.978 119.387 -2.409 25958 2435 1 8 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.826 -0.111 25958 2436 1 8 . 1 1 22 22 ILE C C 22 177.909 177.909 178.223 -0.314 25958 2437 1 8 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.930 -0.410 25958 2438 1 8 . 1 1 22 22 ILE CB C 22 37.912 37.912 38.243 -0.331 25958 2439 1 8 . 1 1 22 22 ILE H H 22 7.649 7.649 8.017 -0.368 25958 2440 1 8 . 1 1 23 23 LYS N N 23 122.631 122.631 119.430 3.201 25958 2441 1 8 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.996 -0.288 25958 2442 1 8 . 1 1 23 23 LYS C C 23 177.322 177.322 178.447 -1.125 25958 2443 1 8 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.018 1.525 25958 2444 1 8 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.531 0.964 25958 2445 1 8 . 1 1 23 23 LYS H H 23 9.094 9.094 8.168 0.926 25958 2446 1 8 . 1 1 24 24 GLU N N 24 117.756 117.756 120.455 -2.699 25958 2447 1 8 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.006 0.235 25958 2448 1 8 . 1 1 24 24 GLU C C 24 177.755 177.755 178.793 -1.038 25958 2449 1 8 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.716 0.051 25958 2450 1 8 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.631 0.136 25958 2451 1 8 . 1 1 24 24 GLU H H 24 8.320 8.320 8.716 -0.396 25958 2452 1 8 . 1 1 25 25 SER N N 25 114.010 114.010 115.859 -1.849 25958 2453 1 8 . 1 1 25 25 SER HA H 25 4.174 4.174 4.116 0.058 25958 2454 1 8 . 1 1 25 25 SER C C 25 175.840 175.840 176.932 -1.092 25958 2455 1 8 . 1 1 25 25 SER CA C 25 62.272 62.272 61.896 0.376 25958 2456 1 8 . 1 1 25 25 SER CB C 25 63.277 63.277 62.740 0.537 25958 2457 1 8 . 1 1 25 25 SER H H 25 7.425 7.425 8.296 -0.871 25958 2458 1 8 . 1 1 26 26 LEU N N 26 122.202 122.202 123.686 -1.484 25958 2459 1 8 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.042 0.003 25958 2460 1 8 . 1 1 26 26 LEU C C 26 180.418 180.418 178.132 2.286 25958 2461 1 8 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.606 0.393 25958 2462 1 8 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.832 0.878 25958 2463 1 8 . 1 1 26 26 LEU H H 26 7.625 7.625 7.799 -0.174 25958 2464 1 8 . 1 1 27 27 GLU N N 27 118.591 118.591 120.114 -1.523 25958 2465 1 8 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.957 0.122 25958 2466 1 8 . 1 1 27 27 GLU C C 27 180.128 180.128 179.330 0.798 25958 2467 1 8 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.782 -0.146 25958 2468 1 8 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.724 -0.167 25958 2469 1 8 . 1 1 27 27 GLU H H 27 8.593 8.593 8.317 0.276 25958 2470 1 8 . 1 1 28 28 LEU N N 28 119.793 119.793 119.684 0.109 25958 2471 1 8 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.087 -0.120 25958 2472 1 8 . 1 1 28 28 LEU C C 28 178.567 178.567 179.247 -0.680 25958 2473 1 8 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.107 -0.818 25958 2474 1 8 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.267 0.580 25958 2475 1 8 . 1 1 28 28 LEU H H 28 8.468 8.468 8.461 0.007 25958 2476 1 8 . 1 1 29 29 MET N N 29 115.804 115.804 118.765 -2.961 25958 2477 1 8 . 1 1 29 29 MET HA H 29 3.928 3.928 4.036 -0.108 25958 2478 1 8 . 1 1 29 29 MET C C 29 177.907 177.907 178.010 -0.103 25958 2479 1 8 . 1 1 29 29 MET CA C 29 58.463 58.463 58.395 0.068 25958 2480 1 8 . 1 1 29 29 MET CB C 29 33.047 33.047 32.171 0.876 25958 2481 1 8 . 1 1 29 29 MET H H 29 7.279 7.279 7.715 -0.436 25958 2482 1 8 . 1 1 30 30 GLN N N 30 114.048 114.048 116.401 -2.353 25958 2483 1 8 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.113 0.007 25958 2484 1 8 . 1 1 30 30 GLN C C 30 176.520 176.520 177.380 -0.860 25958 2485 1 8 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.727 -0.792 25958 2486 1 8 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.117 -0.775 25958 2487 1 8 . 1 1 30 30 GLN H H 30 7.138 7.138 8.118 -0.980 25958 2488 1 8 . 1 1 31 31 TYR N N 31 117.000 117.000 118.401 -1.401 25958 2489 1 8 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.531 -0.048 25958 2490 1 8 . 1 1 31 31 TYR C C 31 176.095 176.095 175.059 1.036 25958 2491 1 8 . 1 1 31 31 TYR CA C 31 58.425 58.425 58.465 -0.040 25958 2492 1 8 . 1 1 31 31 TYR CB C 31 38.492 38.492 40.561 -2.069 25958 2493 1 8 . 1 1 31 31 TYR H H 31 7.764 7.764 7.484 0.280 25958 2494 1 8 . 1 1 32 32 LEU N N 32 120.517 120.517 121.985 -1.468 25958 2495 1 8 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.969 -2.063 25958 2496 1 8 . 1 1 32 32 LEU C C 32 174.141 174.141 174.809 -0.668 25958 2497 1 8 . 1 1 32 32 LEU CA C 32 52.337 52.337 50.419 1.918 25958 2498 1 8 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.877 -1.608 25958 2499 1 8 . 1 1 32 32 LEU H H 32 7.368 7.368 8.017 -0.649 25958 2500 1 8 . 1 1 34 34 GLN HA H 34 4.547 4.547 3.935 0.612 25958 2501 1 8 . 1 1 34 34 GLN CB C 34 32.286 32.286 28.480 3.806 25958 2502 1 8 . 1 1 35 35 HIS N N 35 124.090 124.090 123.720 0.370 25958 2503 1 8 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.233 0.239 25958 2504 1 8 . 1 1 35 35 HIS C C 35 177.836 177.836 177.713 0.123 25958 2505 1 8 . 1 1 35 35 HIS CA C 35 59.366 59.366 58.919 0.447 25958 2506 1 8 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.946 -0.434 25958 2507 1 8 . 1 1 35 35 HIS H H 35 8.869 8.869 8.529 0.340 25958 2508 1 8 . 1 1 36 36 THR N N 36 119.182 119.182 116.678 2.504 25958 2509 1 8 . 1 1 36 36 THR HA H 36 3.946 3.946 4.105 -0.159 25958 2510 1 8 . 1 1 36 36 THR C C 36 176.029 176.029 176.254 -0.225 25958 2511 1 8 . 1 1 36 36 THR CA C 36 66.606 66.606 67.145 -0.539 25958 2512 1 8 . 1 1 36 36 THR CB C 36 68.598 68.598 68.905 -0.307 25958 2513 1 8 . 1 1 36 36 THR H H 36 7.138 7.138 8.878 -1.740 25958 2514 1 8 . 1 1 37 37 ILE N N 37 122.903 122.903 121.877 1.026 25958 2515 1 8 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.707 -0.145 25958 2516 1 8 . 1 1 37 37 ILE C C 37 177.685 177.685 177.882 -0.197 25958 2517 1 8 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.849 0.818 25958 2518 1 8 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.578 0.626 25958 2519 1 8 . 1 1 37 37 ILE H H 37 7.193 7.193 7.620 -0.427 25958 2520 1 8 . 1 1 38 38 GLU N N 38 118.719 118.719 120.661 -1.942 25958 2521 1 8 . 1 1 38 38 GLU HA H 38 4.049 4.049 4.004 0.045 25958 2522 1 8 . 1 1 38 38 GLU C C 38 179.575 179.575 179.029 0.546 25958 2523 1 8 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.532 -0.787 25958 2524 1 8 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.527 -0.086 25958 2525 1 8 . 1 1 38 38 GLU H H 38 8.578 8.578 8.300 0.278 25958 2526 1 8 . 1 1 39 39 THR N N 39 116.297 116.297 116.816 -0.519 25958 2527 1 8 . 1 1 39 39 THR HA H 39 3.936 3.936 4.023 -0.087 25958 2528 1 8 . 1 1 39 39 THR C C 39 176.203 176.203 176.434 -0.231 25958 2529 1 8 . 1 1 39 39 THR CA C 39 66.989 66.989 67.114 -0.125 25958 2530 1 8 . 1 1 39 39 THR CB C 39 68.845 68.845 69.000 -0.155 25958 2531 1 8 . 1 1 39 39 THR H H 39 8.124 8.124 7.688 0.436 25958 2532 1 8 . 1 1 40 40 TYR N N 40 123.453 123.453 123.132 0.321 25958 2533 1 8 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.056 0.167 25958 2534 1 8 . 1 1 40 40 TYR C C 40 178.058 178.058 177.420 0.638 25958 2535 1 8 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.196 -0.294 25958 2536 1 8 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.559 0.024 25958 2537 1 8 . 1 1 40 40 TYR H H 40 7.730 7.730 8.743 -1.013 25958 2538 1 8 . 1 1 41 41 ARG N N 41 119.944 119.944 118.518 1.426 25958 2539 1 8 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.923 -0.121 25958 2540 1 8 . 1 1 41 41 ARG C C 41 179.552 179.552 178.246 1.306 25958 2541 1 8 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.607 0.880 25958 2542 1 8 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.172 -0.094 25958 2543 1 8 . 1 1 41 41 ARG H H 41 8.635 8.635 8.399 0.236 25958 2544 1 8 . 1 1 42 42 GLN N N 42 119.455 119.455 119.198 0.257 25958 2545 1 8 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.935 0.148 25958 2546 1 8 . 1 1 42 42 GLN C C 42 178.700 178.700 178.114 0.586 25958 2547 1 8 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.195 -0.367 25958 2548 1 8 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.531 -0.179 25958 2549 1 8 . 1 1 42 42 GLN H H 42 8.225 8.225 7.906 0.319 25958 2550 1 8 . 1 1 43 43 GLN N N 43 118.905 118.905 119.221 -0.316 25958 2551 1 8 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.923 0.165 25958 2552 1 8 . 1 1 43 43 GLN C C 43 178.664 178.664 178.227 0.437 25958 2553 1 8 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.037 -0.690 25958 2554 1 8 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.556 -0.377 25958 2555 1 8 . 1 1 43 43 GLN H H 43 7.894 7.894 8.502 -0.608 25958 2556 1 8 . 1 1 44 44 GLN N N 44 117.762 117.762 119.922 -2.160 25958 2557 1 8 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.911 0.036 25958 2558 1 8 . 1 1 44 44 GLN C C 44 178.320 178.320 178.568 -0.248 25958 2559 1 8 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.972 -1.687 25958 2560 1 8 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.127 0.034 25958 2561 1 8 . 1 1 44 44 GLN H H 44 8.034 8.034 8.009 0.025 25958 2562 1 8 . 1 1 45 45 GLN N N 45 119.382 119.382 119.341 0.041 25958 2563 1 8 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.865 0.326 25958 2564 1 8 . 1 1 45 45 GLN C C 45 177.742 177.742 178.494 -0.752 25958 2565 1 8 . 1 1 45 45 GLN CA C 45 58.171 58.171 59.098 -0.927 25958 2566 1 8 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.630 -0.137 25958 2567 1 8 . 1 1 45 45 GLN H H 45 7.997 7.997 8.114 -0.117 25958 2568 1 8 . 1 1 46 46 GLN N N 46 118.664 118.664 118.632 0.032 25958 2569 1 8 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.029 0.167 25958 2570 1 8 . 1 1 46 46 GLN C C 46 177.540 177.540 178.569 -1.029 25958 2571 1 8 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.812 -1.127 25958 2572 1 8 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.644 0.099 25958 2573 1 8 . 1 1 46 46 GLN H H 46 7.870 7.870 7.822 0.048 25958 2574 1 8 . 1 1 47 47 GLN N N 47 118.622 118.622 117.025 1.597 25958 2575 1 8 . 1 1 47 47 GLN C C 47 177.073 177.073 178.357 -1.284 25958 2576 1 8 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.208 -0.880 25958 2577 1 8 . 1 1 47 47 GLN CB C 47 28.925 28.925 29.073 -0.148 25958 2578 1 8 . 1 1 47 47 GLN H H 47 8.043 8.043 8.329 -0.286 25958 2579 1 8 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.085 0.488 25958 2580 1 8 . 1 1 48 48 HIS C C 48 176.277 176.277 177.428 -1.151 25958 2581 1 8 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.759 -1.846 25958 2582 1 8 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.262 0.957 25958 2583 1 8 . 1 1 49 49 GLN N N 49 119.554 119.554 118.709 0.845 25958 2584 1 8 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.000 0.215 25958 2585 1 8 . 1 1 49 49 GLN C C 49 176.896 176.896 177.060 -0.164 25958 2586 1 8 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.904 -1.359 25958 2587 1 8 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.722 0.152 25958 2588 1 8 . 1 1 49 49 GLN H H 49 8.117 8.117 7.793 0.324 25958 2589 1 8 . 1 1 50 50 HIS N N 50 118.665 118.665 114.370 4.295 25958 2590 1 8 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.609 -0.061 25958 2591 1 8 . 1 1 50 50 HIS C C 50 176.265 176.265 177.875 -1.610 25958 2592 1 8 . 1 1 50 50 HIS CA C 50 57.300 57.300 57.402 -0.102 25958 2593 1 8 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.948 0.241 25958 2594 1 8 . 1 1 50 50 HIS H H 50 8.138 8.138 7.675 0.463 25958 2595 1 8 . 1 1 51 51 LEU N N 51 121.208 121.208 121.526 -0.318 25958 2596 1 8 . 1 1 51 51 LEU HA H 51 4.170 4.170 3.970 0.200 25958 2597 1 8 . 1 1 51 51 LEU C C 51 177.627 177.627 177.693 -0.066 25958 2598 1 8 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.490 -1.287 25958 2599 1 8 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.810 0.334 25958 2600 1 8 . 1 1 51 51 LEU H H 51 7.809 7.809 7.614 0.195 25958 2601 1 8 . 1 1 52 52 LEU N N 52 120.700 120.700 115.657 5.043 25958 2602 1 8 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.310 -0.132 25958 2603 1 8 . 1 1 52 52 LEU C C 52 177.799 177.799 176.495 1.304 25958 2604 1 8 . 1 1 52 52 LEU CA C 52 55.993 55.993 53.964 2.029 25958 2605 1 8 . 1 1 52 52 LEU CB C 52 42.118 42.118 41.927 0.191 25958 2606 1 8 . 1 1 52 52 LEU H H 52 7.924 7.924 7.640 0.284 25958 2607 1 8 . 1 1 53 53 GLN N N 53 119.631 119.631 119.031 0.600 25958 2608 1 8 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.995 0.220 25958 2609 1 8 . 1 1 53 53 GLN C C 53 176.327 176.327 175.453 0.874 25958 2610 1 8 . 1 1 53 53 GLN CA C 53 56.492 56.492 57.844 -1.352 25958 2611 1 8 . 1 1 53 53 GLN CB C 53 29.202 29.202 28.385 0.817 25958 2612 1 8 . 1 1 53 53 GLN H H 53 7.986 7.986 7.741 0.245 25958 2613 1 8 . 1 1 54 54 LYS N N 54 121.278 121.278 120.375 0.903 25958 2614 1 8 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.517 -0.290 25958 2615 1 8 . 1 1 54 54 LYS C C 54 176.812 176.812 175.950 0.862 25958 2616 1 8 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.315 0.365 25958 2617 1 8 . 1 1 54 54 LYS CB C 54 32.898 32.898 31.813 1.085 25958 2618 1 8 . 1 1 54 54 LYS H H 54 8.053 8.053 8.403 -0.350 25958 2619 1 8 . 1 1 55 55 GLN N N 55 120.539 120.539 118.279 2.260 25958 2620 1 8 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.484 -0.162 25958 2621 1 8 . 1 1 55 55 GLN C C 55 176.291 176.291 175.486 0.805 25958 2622 1 8 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.700 0.499 25958 2623 1 8 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.637 -0.245 25958 2624 1 8 . 1 1 55 55 GLN H H 55 8.249 8.249 8.123 0.126 25958 2625 1 8 . 1 1 56 56 THR N N 56 114.334 114.334 115.016 -0.682 25958 2626 1 8 . 1 1 56 56 THR HA H 56 4.347 4.347 4.531 -0.184 25958 2627 1 8 . 1 1 56 56 THR C C 56 174.526 174.526 174.073 0.453 25958 2628 1 8 . 1 1 56 56 THR CA C 56 62.075 62.075 61.750 0.325 25958 2629 1 8 . 1 1 56 56 THR CB C 56 69.852 69.852 70.715 -0.863 25958 2630 1 8 . 1 1 56 56 THR H H 56 8.063 8.063 7.953 0.110 25958 2631 1 8 . 1 1 57 57 SER N N 57 117.856 117.856 123.370 -5.514 25958 2632 1 8 . 1 1 57 57 SER HA H 57 4.502 4.502 4.667 -0.165 25958 2633 1 8 . 1 1 57 57 SER C C 57 174.275 174.275 174.922 -0.647 25958 2634 1 8 . 1 1 57 57 SER CA C 57 58.405 58.405 57.807 0.598 25958 2635 1 8 . 1 1 57 57 SER CB C 57 63.949 63.949 62.580 1.369 25958 2636 1 8 . 1 1 57 57 SER H H 57 8.163 8.163 8.554 -0.391 25958 2637 1 8 . 1 1 58 58 ILE N N 58 122.144 122.144 121.472 0.672 25958 2638 1 8 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.119 0.075 25958 2639 1 8 . 1 1 58 58 ILE C C 58 176.006 176.006 176.507 -0.501 25958 2640 1 8 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.446 -0.171 25958 2641 1 8 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.359 0.460 25958 2642 1 8 . 1 1 58 58 ILE H H 58 8.049 8.049 7.886 0.163 25958 2643 1 8 . 1 1 59 59 GLN N N 59 124.842 124.842 123.483 1.359 25958 2644 1 8 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.349 0.067 25958 2645 1 8 . 1 1 59 59 GLN C C 59 174.974 174.974 175.109 -0.135 25958 2646 1 8 . 1 1 59 59 GLN CA C 59 55.845 55.845 56.584 -0.739 25958 2647 1 8 . 1 1 59 59 GLN CB C 59 29.748 29.748 29.395 0.353 25958 2648 1 8 . 1 1 59 59 GLN H H 59 8.327 8.327 8.526 -0.199 25958 2649 1 9 . 1 1 2 2 ASP N N 2 121.276 121.276 122.447 -1.171 25958 2650 1 9 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.702 -0.019 25958 2651 1 9 . 1 1 2 2 ASP C C 2 175.828 175.828 176.344 -0.516 25958 2652 1 9 . 1 1 2 2 ASP CA C 2 54.685 54.685 54.091 0.594 25958 2653 1 9 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.266 -0.292 25958 2654 1 9 . 1 1 2 2 ASP H H 2 8.555 8.555 8.624 -0.069 25958 2655 1 9 . 1 1 3 3 ASP N N 3 119.296 119.296 120.463 -1.167 25958 2656 1 9 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.547 0.033 25958 2657 1 9 . 1 1 3 3 ASP C C 3 175.884 175.884 175.624 0.260 25958 2658 1 9 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.576 -0.457 25958 2659 1 9 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.888 0.417 25958 2660 1 9 . 1 1 3 3 ASP H H 3 8.004 8.004 7.908 0.096 25958 2661 1 9 . 1 1 4 4 GLU N N 4 120.922 120.922 120.048 0.874 25958 2662 1 9 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.106 0.029 25958 2663 1 9 . 1 1 4 4 GLU C C 4 174.979 174.979 176.495 -1.516 25958 2664 1 9 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.683 0.188 25958 2665 1 9 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.418 1.362 25958 2666 1 9 . 1 1 4 4 GLU H H 4 7.945 7.945 7.942 0.003 25958 2667 1 9 . 1 1 5 5 LEU N N 5 124.551 124.551 128.111 -3.560 25958 2668 1 9 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.085 0.454 25958 2669 1 9 . 1 1 5 5 LEU C C 5 175.305 175.305 175.983 -0.678 25958 2670 1 9 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.154 -0.283 25958 2671 1 9 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.534 1.307 25958 2672 1 9 . 1 1 5 5 LEU H H 5 8.042 8.042 8.326 -0.284 25958 2673 1 9 . 1 1 6 6 LEU N N 6 127.945 127.945 126.542 1.403 25958 2674 1 9 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.515 -0.003 25958 2675 1 9 . 1 1 6 6 LEU C C 6 174.919 174.919 176.513 -1.594 25958 2676 1 9 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.383 -0.866 25958 2677 1 9 . 1 1 6 6 LEU CB C 6 45.589 45.589 42.791 2.798 25958 2678 1 9 . 1 1 6 6 LEU H H 6 8.799 8.799 7.966 0.833 25958 2679 1 9 . 1 1 7 7 TYR N N 7 117.176 117.176 121.388 -4.212 25958 2680 1 9 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.759 0.398 25958 2681 1 9 . 1 1 7 7 TYR C C 7 175.335 175.335 175.384 -0.049 25958 2682 1 9 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.507 -0.075 25958 2683 1 9 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.896 0.048 25958 2684 1 9 . 1 1 7 7 TYR H H 7 8.583 8.583 8.352 0.231 25958 2685 1 9 . 1 1 8 8 LEU N N 8 128.094 128.094 126.946 1.148 25958 2686 1 9 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.878 0.274 25958 2687 1 9 . 1 1 8 8 LEU C C 8 173.946 173.946 174.473 -0.527 25958 2688 1 9 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.607 -0.989 25958 2689 1 9 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.839 1.573 25958 2690 1 9 . 1 1 8 8 LEU H H 8 9.308 9.308 8.533 0.775 25958 2691 1 9 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.726 -0.199 25958 2692 1 9 . 1 1 9 9 PRO C C 9 176.758 176.758 175.853 0.905 25958 2693 1 9 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.836 -0.746 25958 2694 1 9 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.515 0.358 25958 2695 1 9 . 1 1 10 10 VAL N N 10 124.047 124.047 123.527 0.520 25958 2696 1 9 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.418 -0.209 25958 2697 1 9 . 1 1 10 10 VAL C C 10 173.446 173.446 174.968 -1.522 25958 2698 1 9 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.560 0.058 25958 2699 1 9 . 1 1 10 10 VAL CB C 10 35.669 35.669 34.926 0.743 25958 2700 1 9 . 1 1 10 10 VAL H H 10 9.193 9.193 8.183 1.010 25958 2701 1 9 . 1 1 11 11 ARG N N 11 127.433 127.433 125.176 2.257 25958 2702 1 9 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.694 0.005 25958 2703 1 9 . 1 1 11 11 ARG C C 11 176.092 176.092 174.885 1.207 25958 2704 1 9 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.489 -0.122 25958 2705 1 9 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.298 0.307 25958 2706 1 9 . 1 1 11 11 ARG H H 11 9.053 9.053 8.614 0.439 25958 2707 1 9 . 1 1 12 12 GLY N N 12 115.279 115.279 111.476 3.803 25958 2708 1 9 . 1 1 12 12 GLY C C 12 173.823 173.823 174.636 -0.813 25958 2709 1 9 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.236 -0.285 25958 2710 1 9 . 1 1 12 12 GLY H H 12 8.614 8.614 8.345 0.269 25958 2711 1 9 . 1 1 13 13 ARG N N 13 125.500 125.500 123.897 1.603 25958 2712 1 9 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.158 -0.306 25958 2713 1 9 . 1 1 13 13 ARG C C 13 177.793 177.793 178.215 -0.422 25958 2714 1 9 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.727 0.477 25958 2715 1 9 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.352 -0.585 25958 2716 1 9 . 1 1 13 13 ARG H H 13 8.774 8.774 8.767 0.007 25958 2717 1 9 . 1 1 14 14 GLU N N 14 119.254 119.254 118.385 0.869 25958 2718 1 9 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.199 -0.117 25958 2719 1 9 . 1 1 14 14 GLU C C 14 179.794 179.794 178.386 1.408 25958 2720 1 9 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.860 0.502 25958 2721 1 9 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.150 -0.191 25958 2722 1 9 . 1 1 14 14 GLU H H 14 8.888 8.888 8.870 0.018 25958 2723 1 9 . 1 1 15 15 THR N N 15 117.699 117.699 115.591 2.108 25958 2724 1 9 . 1 1 15 15 THR HA H 15 3.784 3.784 4.042 -0.258 25958 2725 1 9 . 1 1 15 15 THR C C 15 175.457 175.457 176.335 -0.878 25958 2726 1 9 . 1 1 15 15 THR CA C 15 66.498 66.498 66.545 -0.047 25958 2727 1 9 . 1 1 15 15 THR CB C 15 67.813 67.813 68.224 -0.411 25958 2728 1 9 . 1 1 15 15 THR H H 15 7.958 7.958 8.242 -0.284 25958 2729 1 9 . 1 1 16 16 TYR N N 16 122.365 122.365 122.432 -0.067 25958 2730 1 9 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.017 -0.275 25958 2731 1 9 . 1 1 16 16 TYR C C 16 175.895 175.895 177.521 -1.626 25958 2732 1 9 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.372 1.724 25958 2733 1 9 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.761 0.463 25958 2734 1 9 . 1 1 16 16 TYR H H 16 8.042 8.042 8.464 -0.422 25958 2735 1 9 . 1 1 17 17 GLU N N 17 116.940 116.940 119.119 -2.179 25958 2736 1 9 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.666 0.161 25958 2737 1 9 . 1 1 17 17 GLU C C 17 179.448 179.448 178.973 0.475 25958 2738 1 9 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.320 0.559 25958 2739 1 9 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.392 -0.147 25958 2740 1 9 . 1 1 17 17 GLU H H 17 8.713 8.713 7.833 0.880 25958 2741 1 9 . 1 1 18 18 MET N N 18 118.965 118.965 120.109 -1.144 25958 2742 1 9 . 1 1 18 18 MET HA H 18 4.291 4.291 4.176 0.115 25958 2743 1 9 . 1 1 18 18 MET C C 18 178.050 178.050 178.042 0.008 25958 2744 1 9 . 1 1 18 18 MET CA C 18 58.815 58.815 58.787 0.028 25958 2745 1 9 . 1 1 18 18 MET CB C 18 32.736 32.736 32.912 -0.176 25958 2746 1 9 . 1 1 18 18 MET H H 18 7.505 7.505 8.083 -0.578 25958 2747 1 9 . 1 1 19 19 LEU N N 19 117.499 117.499 120.945 -3.446 25958 2748 1 9 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.968 -0.145 25958 2749 1 9 . 1 1 19 19 LEU C C 19 178.443 178.443 178.732 -0.289 25958 2750 1 9 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.151 -0.590 25958 2751 1 9 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.951 -0.196 25958 2752 1 9 . 1 1 19 19 LEU H H 19 8.151 8.151 8.546 -0.395 25958 2753 1 9 . 1 1 20 20 LEU N N 20 120.873 120.873 119.128 1.745 25958 2754 1 9 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.768 -0.004 25958 2755 1 9 . 1 1 20 20 LEU C C 20 178.475 178.475 178.201 0.274 25958 2756 1 9 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.067 0.635 25958 2757 1 9 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.238 0.627 25958 2758 1 9 . 1 1 20 20 LEU H H 20 8.649 8.649 8.399 0.250 25958 2759 1 9 . 1 1 21 21 GLU N N 21 118.433 118.433 119.779 -1.346 25958 2760 1 9 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.923 0.138 25958 2761 1 9 . 1 1 21 21 GLU C C 21 179.572 179.572 179.056 0.516 25958 2762 1 9 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.510 0.190 25958 2763 1 9 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.582 -0.288 25958 2764 1 9 . 1 1 21 21 GLU H H 21 7.379 7.379 7.663 -0.284 25958 2765 1 9 . 1 1 22 22 ILE N N 22 116.978 116.978 120.090 -3.112 25958 2766 1 9 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.634 0.081 25958 2767 1 9 . 1 1 22 22 ILE C C 22 177.909 177.909 178.077 -0.168 25958 2768 1 9 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.168 -0.648 25958 2769 1 9 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.739 0.173 25958 2770 1 9 . 1 1 22 22 ILE H H 22 7.649 7.649 8.330 -0.681 25958 2771 1 9 . 1 1 23 23 LYS N N 23 122.631 122.631 120.247 2.384 25958 2772 1 9 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.946 -0.238 25958 2773 1 9 . 1 1 23 23 LYS C C 23 177.322 177.322 178.387 -1.065 25958 2774 1 9 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.531 1.012 25958 2775 1 9 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.036 0.459 25958 2776 1 9 . 1 1 23 23 LYS H H 23 9.094 9.094 8.069 1.025 25958 2777 1 9 . 1 1 24 24 GLU N N 24 117.756 117.756 119.811 -2.055 25958 2778 1 9 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.943 0.298 25958 2779 1 9 . 1 1 24 24 GLU C C 24 177.755 177.755 178.775 -1.020 25958 2780 1 9 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.860 -0.093 25958 2781 1 9 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.495 0.272 25958 2782 1 9 . 1 1 24 24 GLU H H 24 8.320 8.320 8.481 -0.161 25958 2783 1 9 . 1 1 25 25 SER N N 25 114.010 114.010 115.550 -1.540 25958 2784 1 9 . 1 1 25 25 SER HA H 25 4.174 4.174 4.150 0.024 25958 2785 1 9 . 1 1 25 25 SER C C 25 175.840 175.840 176.777 -0.937 25958 2786 1 9 . 1 1 25 25 SER CA C 25 62.272 62.272 61.853 0.419 25958 2787 1 9 . 1 1 25 25 SER CB C 25 63.277 63.277 63.042 0.235 25958 2788 1 9 . 1 1 25 25 SER H H 25 7.425 7.425 8.271 -0.846 25958 2789 1 9 . 1 1 26 26 LEU N N 26 122.202 122.202 122.849 -0.647 25958 2790 1 9 . 1 1 26 26 LEU HA H 26 4.045 4.045 3.996 0.049 25958 2791 1 9 . 1 1 26 26 LEU C C 26 180.418 180.418 178.563 1.855 25958 2792 1 9 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.995 0.004 25958 2793 1 9 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.981 0.729 25958 2794 1 9 . 1 1 26 26 LEU H H 26 7.625 7.625 7.734 -0.109 25958 2795 1 9 . 1 1 27 27 GLU N N 27 118.591 118.591 119.359 -0.768 25958 2796 1 9 . 1 1 27 27 GLU HA H 27 4.079 4.079 4.003 0.076 25958 2797 1 9 . 1 1 27 27 GLU C C 27 180.128 180.128 179.538 0.590 25958 2798 1 9 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.681 -0.045 25958 2799 1 9 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.664 -0.107 25958 2800 1 9 . 1 1 27 27 GLU H H 27 8.593 8.593 8.344 0.249 25958 2801 1 9 . 1 1 28 28 LEU N N 28 119.793 119.793 120.769 -0.976 25958 2802 1 9 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.125 -0.158 25958 2803 1 9 . 1 1 28 28 LEU C C 28 178.567 178.567 179.369 -0.802 25958 2804 1 9 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.626 -0.337 25958 2805 1 9 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.246 0.601 25958 2806 1 9 . 1 1 28 28 LEU H H 28 8.468 8.468 8.613 -0.145 25958 2807 1 9 . 1 1 29 29 MET N N 29 115.804 115.804 118.484 -2.680 25958 2808 1 9 . 1 1 29 29 MET HA H 29 3.928 3.928 4.009 -0.081 25958 2809 1 9 . 1 1 29 29 MET C C 29 177.907 177.907 177.206 0.701 25958 2810 1 9 . 1 1 29 29 MET CA C 29 58.463 58.463 58.783 -0.320 25958 2811 1 9 . 1 1 29 29 MET CB C 29 33.047 33.047 32.342 0.705 25958 2812 1 9 . 1 1 29 29 MET H H 29 7.279 7.279 8.411 -1.132 25958 2813 1 9 . 1 1 30 30 GLN N N 30 114.048 114.048 114.023 0.025 25958 2814 1 9 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.216 -0.096 25958 2815 1 9 . 1 1 30 30 GLN C C 30 176.520 176.520 176.880 -0.360 25958 2816 1 9 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.261 -0.326 25958 2817 1 9 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.105 -0.763 25958 2818 1 9 . 1 1 30 30 GLN H H 30 7.138 7.138 7.712 -0.574 25958 2819 1 9 . 1 1 31 31 TYR N N 31 117.000 117.000 120.817 -3.817 25958 2820 1 9 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.381 0.102 25958 2821 1 9 . 1 1 31 31 TYR C C 31 176.095 176.095 175.978 0.117 25958 2822 1 9 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.184 -1.759 25958 2823 1 9 . 1 1 31 31 TYR CB C 31 38.492 38.492 40.236 -1.744 25958 2824 1 9 . 1 1 31 31 TYR H H 31 7.764 7.764 7.597 0.167 25958 2825 1 9 . 1 1 32 32 LEU N N 32 120.517 120.517 119.438 1.079 25958 2826 1 9 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.668 -1.762 25958 2827 1 9 . 1 1 32 32 LEU C C 32 174.141 174.141 175.062 -0.921 25958 2828 1 9 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.832 -0.495 25958 2829 1 9 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.607 0.662 25958 2830 1 9 . 1 1 32 32 LEU H H 32 7.368 7.368 7.987 -0.619 25958 2831 1 9 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.028 0.519 25958 2832 1 9 . 1 1 34 34 GLN CB C 34 32.286 32.286 27.529 4.758 25958 2833 1 9 . 1 1 35 35 HIS N N 35 124.090 124.090 118.768 5.322 25958 2834 1 9 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.268 0.204 25958 2835 1 9 . 1 1 35 35 HIS C C 35 177.836 177.836 177.614 0.222 25958 2836 1 9 . 1 1 35 35 HIS CA C 35 59.366 59.366 59.397 -0.031 25958 2837 1 9 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.057 0.455 25958 2838 1 9 . 1 1 35 35 HIS H H 35 8.869 8.869 7.371 1.498 25958 2839 1 9 . 1 1 36 36 THR N N 36 119.182 119.182 114.779 4.403 25958 2840 1 9 . 1 1 36 36 THR HA H 36 3.946 3.946 4.139 -0.193 25958 2841 1 9 . 1 1 36 36 THR C C 36 176.029 176.029 176.480 -0.451 25958 2842 1 9 . 1 1 36 36 THR CA C 36 66.606 66.606 66.459 0.147 25958 2843 1 9 . 1 1 36 36 THR CB C 36 68.598 68.598 68.330 0.268 25958 2844 1 9 . 1 1 36 36 THR H H 36 7.138 7.138 8.467 -1.329 25958 2845 1 9 . 1 1 37 37 ILE N N 37 122.903 122.903 121.844 1.059 25958 2846 1 9 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.810 -0.248 25958 2847 1 9 . 1 1 37 37 ILE C C 37 177.685 177.685 177.646 0.039 25958 2848 1 9 . 1 1 37 37 ILE CA C 37 65.667 65.667 65.260 0.407 25958 2849 1 9 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.668 0.536 25958 2850 1 9 . 1 1 37 37 ILE H H 37 7.193 7.193 7.768 -0.575 25958 2851 1 9 . 1 1 38 38 GLU N N 38 118.719 118.719 120.681 -1.962 25958 2852 1 9 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.892 0.157 25958 2853 1 9 . 1 1 38 38 GLU C C 38 179.575 179.575 178.895 0.680 25958 2854 1 9 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.272 -0.527 25958 2855 1 9 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.744 -0.302 25958 2856 1 9 . 1 1 38 38 GLU H H 38 8.578 8.578 8.847 -0.269 25958 2857 1 9 . 1 1 39 39 THR N N 39 116.297 116.297 116.689 -0.392 25958 2858 1 9 . 1 1 39 39 THR HA H 39 3.936 3.936 4.034 -0.098 25958 2859 1 9 . 1 1 39 39 THR C C 39 176.203 176.203 176.437 -0.234 25958 2860 1 9 . 1 1 39 39 THR CA C 39 66.989 66.989 67.132 -0.143 25958 2861 1 9 . 1 1 39 39 THR CB C 39 68.845 68.845 68.665 0.180 25958 2862 1 9 . 1 1 39 39 THR H H 39 8.124 8.124 7.799 0.325 25958 2863 1 9 . 1 1 40 40 TYR N N 40 123.453 123.453 122.831 0.622 25958 2864 1 9 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.094 0.129 25958 2865 1 9 . 1 1 40 40 TYR C C 40 178.058 178.058 177.337 0.721 25958 2866 1 9 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.619 0.283 25958 2867 1 9 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.468 0.115 25958 2868 1 9 . 1 1 40 40 TYR H H 40 7.730 7.730 8.605 -0.875 25958 2869 1 9 . 1 1 41 41 ARG N N 41 119.944 119.944 119.089 0.855 25958 2870 1 9 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.822 -0.020 25958 2871 1 9 . 1 1 41 41 ARG C C 41 179.552 179.552 178.758 0.794 25958 2872 1 9 . 1 1 41 41 ARG CA C 41 60.487 60.487 58.745 1.742 25958 2873 1 9 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.279 -0.201 25958 2874 1 9 . 1 1 41 41 ARG H H 41 8.635 8.635 8.419 0.216 25958 2875 1 9 . 1 1 42 42 GLN N N 42 119.455 119.455 119.914 -0.459 25958 2876 1 9 . 1 1 42 42 GLN HA H 42 4.083 4.083 4.010 0.073 25958 2877 1 9 . 1 1 42 42 GLN C C 42 178.700 178.700 178.209 0.491 25958 2878 1 9 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.087 -0.258 25958 2879 1 9 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.631 -0.279 25958 2880 1 9 . 1 1 42 42 GLN H H 42 8.225 8.225 8.267 -0.042 25958 2881 1 9 . 1 1 43 43 GLN N N 43 118.905 118.905 119.704 -0.799 25958 2882 1 9 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.953 0.135 25958 2883 1 9 . 1 1 43 43 GLN C C 43 178.664 178.664 178.023 0.641 25958 2884 1 9 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.665 -0.318 25958 2885 1 9 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.122 0.057 25958 2886 1 9 . 1 1 43 43 GLN H H 43 7.894 7.894 8.396 -0.502 25958 2887 1 9 . 1 1 44 44 GLN N N 44 117.762 117.762 119.735 -1.973 25958 2888 1 9 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.856 0.091 25958 2889 1 9 . 1 1 44 44 GLN C C 44 178.320 178.320 178.265 0.055 25958 2890 1 9 . 1 1 44 44 GLN CA C 44 57.285 57.285 59.283 -1.998 25958 2891 1 9 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.218 -0.057 25958 2892 1 9 . 1 1 44 44 GLN H H 44 8.034 8.034 7.953 0.081 25958 2893 1 9 . 1 1 45 45 GLN N N 45 119.382 119.382 118.624 0.758 25958 2894 1 9 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.004 0.187 25958 2895 1 9 . 1 1 45 45 GLN C C 45 177.742 177.742 178.301 -0.559 25958 2896 1 9 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.183 -0.012 25958 2897 1 9 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.172 0.321 25958 2898 1 9 . 1 1 45 45 GLN H H 45 7.997 7.997 7.739 0.258 25958 2899 1 9 . 1 1 46 46 GLN N N 46 118.664 118.664 118.480 0.184 25958 2900 1 9 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.053 0.143 25958 2901 1 9 . 1 1 46 46 GLN C C 46 177.540 177.540 178.480 -0.940 25958 2902 1 9 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.244 -0.559 25958 2903 1 9 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.602 0.141 25958 2904 1 9 . 1 1 46 46 GLN H H 46 7.870 7.870 7.665 0.205 25958 2905 1 9 . 1 1 47 47 GLN N N 47 118.622 118.622 120.067 -1.445 25958 2906 1 9 . 1 1 47 47 GLN C C 47 177.073 177.073 178.547 -1.474 25958 2907 1 9 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.806 -1.478 25958 2908 1 9 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.540 0.385 25958 2909 1 9 . 1 1 47 47 GLN H H 47 8.043 8.043 8.336 -0.293 25958 2910 1 9 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.272 0.301 25958 2911 1 9 . 1 1 48 48 HIS C C 48 176.277 176.277 177.165 -0.888 25958 2912 1 9 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.746 -0.833 25958 2913 1 9 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.879 0.340 25958 2914 1 9 . 1 1 49 49 GLN N N 49 119.554 119.554 117.114 2.440 25958 2915 1 9 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.122 0.093 25958 2916 1 9 . 1 1 49 49 GLN C C 49 176.896 176.896 178.605 -1.709 25958 2917 1 9 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.680 -1.135 25958 2918 1 9 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.766 0.108 25958 2919 1 9 . 1 1 49 49 GLN H H 49 8.117 8.117 7.802 0.315 25958 2920 1 9 . 1 1 50 50 HIS N N 50 118.665 118.665 119.399 -0.734 25958 2921 1 9 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.333 0.215 25958 2922 1 9 . 1 1 50 50 HIS C C 50 176.265 176.265 177.499 -1.234 25958 2923 1 9 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.058 -0.758 25958 2924 1 9 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.697 0.492 25958 2925 1 9 . 1 1 50 50 HIS H H 50 8.138 8.138 7.682 0.456 25958 2926 1 9 . 1 1 51 51 LEU N N 51 121.208 121.208 119.443 1.765 25958 2927 1 9 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.123 0.047 25958 2928 1 9 . 1 1 51 51 LEU C C 51 177.627 177.627 177.698 -0.071 25958 2929 1 9 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.425 -1.222 25958 2930 1 9 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.179 0.965 25958 2931 1 9 . 1 1 51 51 LEU H H 51 7.809 7.809 8.045 -0.236 25958 2932 1 9 . 1 1 52 52 LEU N N 52 120.700 120.700 116.606 4.094 25958 2933 1 9 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.567 -0.389 25958 2934 1 9 . 1 1 52 52 LEU C C 52 177.799 177.799 176.580 1.219 25958 2935 1 9 . 1 1 52 52 LEU CA C 52 55.993 55.993 54.497 1.496 25958 2936 1 9 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.273 -0.154 25958 2937 1 9 . 1 1 52 52 LEU H H 52 7.924 7.924 7.655 0.269 25958 2938 1 9 . 1 1 53 53 GLN N N 53 119.631 119.631 118.129 1.502 25958 2939 1 9 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.006 0.209 25958 2940 1 9 . 1 1 53 53 GLN C C 53 176.327 176.327 175.909 0.418 25958 2941 1 9 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.809 -0.316 25958 2942 1 9 . 1 1 53 53 GLN CB C 53 29.202 29.202 26.725 2.477 25958 2943 1 9 . 1 1 53 53 GLN H H 53 7.986 7.986 7.509 0.477 25958 2944 1 9 . 1 1 54 54 LYS N N 54 121.278 121.278 120.739 0.539 25958 2945 1 9 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.282 -0.055 25958 2946 1 9 . 1 1 54 54 LYS C C 54 176.812 176.812 176.009 0.803 25958 2947 1 9 . 1 1 54 54 LYS CA C 54 56.680 56.680 57.412 -0.732 25958 2948 1 9 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.483 -0.585 25958 2949 1 9 . 1 1 54 54 LYS H H 54 8.053 8.053 8.441 -0.388 25958 2950 1 9 . 1 1 55 55 GLN N N 55 120.539 120.539 117.823 2.716 25958 2951 1 9 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.613 -0.291 25958 2952 1 9 . 1 1 55 55 GLN C C 55 176.291 176.291 174.197 2.094 25958 2953 1 9 . 1 1 55 55 GLN CA C 55 56.199 56.199 54.499 1.700 25958 2954 1 9 . 1 1 55 55 GLN CB C 55 29.392 29.392 32.247 -2.855 25958 2955 1 9 . 1 1 55 55 GLN H H 55 8.249 8.249 7.850 0.399 25958 2956 1 9 . 1 1 56 56 THR N N 56 114.334 114.334 113.308 1.026 25958 2957 1 9 . 1 1 56 56 THR HA H 56 4.347 4.347 4.587 -0.240 25958 2958 1 9 . 1 1 56 56 THR C C 56 174.526 174.526 174.019 0.507 25958 2959 1 9 . 1 1 56 56 THR CA C 56 62.075 62.075 61.306 0.769 25958 2960 1 9 . 1 1 56 56 THR CB C 56 69.852 69.852 69.751 0.101 25958 2961 1 9 . 1 1 56 56 THR H H 56 8.063 8.063 8.229 -0.166 25958 2962 1 9 . 1 1 57 57 SER N N 57 117.856 117.856 120.027 -2.171 25958 2963 1 9 . 1 1 57 57 SER HA H 57 4.502 4.502 4.658 -0.156 25958 2964 1 9 . 1 1 57 57 SER C C 57 174.275 174.275 174.295 -0.020 25958 2965 1 9 . 1 1 57 57 SER CA C 57 58.405 58.405 58.373 0.032 25958 2966 1 9 . 1 1 57 57 SER CB C 57 63.949 63.949 63.836 0.113 25958 2967 1 9 . 1 1 57 57 SER H H 57 8.163 8.163 8.498 -0.335 25958 2968 1 9 . 1 1 58 58 ILE N N 58 122.144 122.144 117.997 4.147 25958 2969 1 9 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.529 -0.335 25958 2970 1 9 . 1 1 58 58 ILE C C 58 176.006 176.006 174.733 1.273 25958 2971 1 9 . 1 1 58 58 ILE CA C 58 61.275 61.275 59.869 1.406 25958 2972 1 9 . 1 1 58 58 ILE CB C 58 38.820 38.820 39.905 -1.085 25958 2973 1 9 . 1 1 58 58 ILE H H 58 8.049 8.049 8.412 -0.363 25958 2974 1 9 . 1 1 59 59 GLN N N 59 124.842 124.842 120.962 3.880 25958 2975 1 9 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.718 -0.302 25958 2976 1 9 . 1 1 59 59 GLN C C 59 174.974 174.974 174.900 0.074 25958 2977 1 9 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.896 -0.051 25958 2978 1 9 . 1 1 59 59 GLN CB C 59 29.748 29.748 29.625 0.123 25958 2979 1 9 . 1 1 59 59 GLN H H 59 8.327 8.327 8.899 -0.572 25958 2980 1 10 . 1 1 2 2 ASP N N 2 121.276 121.276 124.187 -2.911 25958 2981 1 10 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.679 0.004 25958 2982 1 10 . 1 1 2 2 ASP C C 2 175.828 175.828 175.903 -0.075 25958 2983 1 10 . 1 1 2 2 ASP CA C 2 54.685 54.685 53.987 0.698 25958 2984 1 10 . 1 1 2 2 ASP CB C 2 40.974 40.974 39.576 1.398 25958 2985 1 10 . 1 1 2 2 ASP H H 2 8.555 8.555 8.760 -0.205 25958 2986 1 10 . 1 1 3 3 ASP N N 3 119.296 119.296 119.509 -0.213 25958 2987 1 10 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.559 0.021 25958 2988 1 10 . 1 1 3 3 ASP C C 3 175.884 175.884 176.456 -0.572 25958 2989 1 10 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.292 -0.173 25958 2990 1 10 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.468 -0.163 25958 2991 1 10 . 1 1 3 3 ASP H H 3 8.004 8.004 7.885 0.119 25958 2992 1 10 . 1 1 4 4 GLU N N 4 120.922 120.922 118.197 2.725 25958 2993 1 10 . 1 1 4 4 GLU HA H 4 4.135 4.135 3.916 0.219 25958 2994 1 10 . 1 1 4 4 GLU C C 4 174.979 174.979 175.678 -0.699 25958 2995 1 10 . 1 1 4 4 GLU CA C 4 56.871 56.871 57.719 -0.848 25958 2996 1 10 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.813 0.967 25958 2997 1 10 . 1 1 4 4 GLU H H 4 7.945 7.945 7.984 -0.039 25958 2998 1 10 . 1 1 5 5 LEU N N 5 124.551 124.551 121.487 3.064 25958 2999 1 10 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.403 0.136 25958 3000 1 10 . 1 1 5 5 LEU C C 5 175.305 175.305 174.815 0.490 25958 3001 1 10 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.838 0.033 25958 3002 1 10 . 1 1 5 5 LEU CB C 5 42.841 42.841 42.421 0.420 25958 3003 1 10 . 1 1 5 5 LEU H H 5 8.042 8.042 8.317 -0.275 25958 3004 1 10 . 1 1 6 6 LEU N N 6 127.945 127.945 127.238 0.707 25958 3005 1 10 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.622 -0.110 25958 3006 1 10 . 1 1 6 6 LEU C C 6 174.919 174.919 176.210 -1.291 25958 3007 1 10 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.383 0.134 25958 3008 1 10 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.310 2.279 25958 3009 1 10 . 1 1 6 6 LEU H H 6 8.799 8.799 7.835 0.964 25958 3010 1 10 . 1 1 7 7 TYR N N 7 117.176 117.176 120.852 -3.676 25958 3011 1 10 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.910 0.247 25958 3012 1 10 . 1 1 7 7 TYR C C 7 175.335 175.335 174.895 0.440 25958 3013 1 10 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.191 0.241 25958 3014 1 10 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.853 0.091 25958 3015 1 10 . 1 1 7 7 TYR H H 7 8.583 8.583 8.327 0.256 25958 3016 1 10 . 1 1 8 8 LEU N N 8 128.094 128.094 126.476 1.618 25958 3017 1 10 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.788 0.364 25958 3018 1 10 . 1 1 8 8 LEU C C 8 173.946 173.946 174.769 -0.823 25958 3019 1 10 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.660 -1.042 25958 3020 1 10 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.811 2.601 25958 3021 1 10 . 1 1 8 8 LEU H H 8 9.308 9.308 8.621 0.687 25958 3022 1 10 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.701 -0.174 25958 3023 1 10 . 1 1 9 9 PRO C C 9 176.758 176.758 175.949 0.809 25958 3024 1 10 . 1 1 9 9 PRO CA C 9 62.090 62.090 63.024 -0.934 25958 3025 1 10 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.909 -0.036 25958 3026 1 10 . 1 1 10 10 VAL N N 10 124.047 124.047 124.259 -0.212 25958 3027 1 10 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.361 -0.152 25958 3028 1 10 . 1 1 10 10 VAL C C 10 173.446 173.446 174.738 -1.292 25958 3029 1 10 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.438 0.180 25958 3030 1 10 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.426 0.243 25958 3031 1 10 . 1 1 10 10 VAL H H 10 9.193 9.193 8.114 1.079 25958 3032 1 10 . 1 1 11 11 ARG N N 11 127.433 127.433 123.975 3.458 25958 3033 1 10 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.761 -0.062 25958 3034 1 10 . 1 1 11 11 ARG C C 11 176.092 176.092 175.075 1.017 25958 3035 1 10 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.857 -0.490 25958 3036 1 10 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.644 -0.039 25958 3037 1 10 . 1 1 11 11 ARG H H 11 9.053 9.053 8.707 0.346 25958 3038 1 10 . 1 1 12 12 GLY N N 12 115.279 115.279 112.211 3.068 25958 3039 1 10 . 1 1 12 12 GLY C C 12 173.823 173.823 174.214 -0.391 25958 3040 1 10 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.426 -0.475 25958 3041 1 10 . 1 1 12 12 GLY H H 12 8.614 8.614 8.226 0.388 25958 3042 1 10 . 1 1 13 13 ARG N N 13 125.500 125.500 123.587 1.913 25958 3043 1 10 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.052 -0.200 25958 3044 1 10 . 1 1 13 13 ARG C C 13 177.793 177.793 177.940 -0.147 25958 3045 1 10 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.918 0.286 25958 3046 1 10 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.436 -0.669 25958 3047 1 10 . 1 1 13 13 ARG H H 13 8.774 8.774 8.810 -0.036 25958 3048 1 10 . 1 1 14 14 GLU N N 14 119.254 119.254 118.340 0.914 25958 3049 1 10 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.305 -0.223 25958 3050 1 10 . 1 1 14 14 GLU C C 14 179.794 179.794 178.658 1.136 25958 3051 1 10 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.465 0.897 25958 3052 1 10 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.267 -0.308 25958 3053 1 10 . 1 1 14 14 GLU H H 14 8.888 8.888 8.866 0.022 25958 3054 1 10 . 1 1 15 15 THR N N 15 117.699 117.699 116.370 1.329 25958 3055 1 10 . 1 1 15 15 THR HA H 15 3.784 3.784 4.080 -0.296 25958 3056 1 10 . 1 1 15 15 THR C C 15 175.457 175.457 176.375 -0.918 25958 3057 1 10 . 1 1 15 15 THR CA C 15 66.498 66.498 66.064 0.434 25958 3058 1 10 . 1 1 15 15 THR CB C 15 67.813 67.813 68.352 -0.539 25958 3059 1 10 . 1 1 15 15 THR H H 15 7.958 7.958 8.039 -0.081 25958 3060 1 10 . 1 1 16 16 TYR N N 16 122.365 122.365 122.898 -0.533 25958 3061 1 10 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.022 -0.280 25958 3062 1 10 . 1 1 16 16 TYR C C 16 175.895 175.895 177.311 -1.416 25958 3063 1 10 . 1 1 16 16 TYR CA C 16 63.096 63.096 62.255 0.841 25958 3064 1 10 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.524 0.700 25958 3065 1 10 . 1 1 16 16 TYR H H 16 8.042 8.042 8.790 -0.748 25958 3066 1 10 . 1 1 17 17 GLU N N 17 116.940 116.940 118.580 -1.640 25958 3067 1 10 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.921 -0.094 25958 3068 1 10 . 1 1 17 17 GLU C C 17 179.448 179.448 179.181 0.267 25958 3069 1 10 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.591 0.288 25958 3070 1 10 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.219 0.026 25958 3071 1 10 . 1 1 17 17 GLU H H 17 8.713 8.713 7.975 0.738 25958 3072 1 10 . 1 1 18 18 MET N N 18 118.965 118.965 119.540 -0.575 25958 3073 1 10 . 1 1 18 18 MET HA H 18 4.291 4.291 4.208 0.083 25958 3074 1 10 . 1 1 18 18 MET C C 18 178.050 178.050 178.331 -0.281 25958 3075 1 10 . 1 1 18 18 MET CA C 18 58.815 58.815 58.076 0.739 25958 3076 1 10 . 1 1 18 18 MET CB C 18 32.736 32.736 32.544 0.192 25958 3077 1 10 . 1 1 18 18 MET H H 18 7.505 7.505 7.719 -0.214 25958 3078 1 10 . 1 1 19 19 LEU N N 19 117.499 117.499 121.226 -3.727 25958 3079 1 10 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.005 -0.182 25958 3080 1 10 . 1 1 19 19 LEU C C 19 178.443 178.443 178.732 -0.289 25958 3081 1 10 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.217 -0.656 25958 3082 1 10 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.651 0.104 25958 3083 1 10 . 1 1 19 19 LEU H H 19 8.151 8.151 8.210 -0.059 25958 3084 1 10 . 1 1 20 20 LEU N N 20 120.873 120.873 119.384 1.489 25958 3085 1 10 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.671 0.093 25958 3086 1 10 . 1 1 20 20 LEU C C 20 178.475 178.475 178.324 0.151 25958 3087 1 10 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.273 0.429 25958 3088 1 10 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.386 0.479 25958 3089 1 10 . 1 1 20 20 LEU H H 20 8.649 8.649 8.509 0.140 25958 3090 1 10 . 1 1 21 21 GLU N N 21 118.433 118.433 119.920 -1.487 25958 3091 1 10 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.921 0.140 25958 3092 1 10 . 1 1 21 21 GLU C C 21 179.572 179.572 179.033 0.539 25958 3093 1 10 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.771 -0.071 25958 3094 1 10 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.573 -0.279 25958 3095 1 10 . 1 1 21 21 GLU H H 21 7.379 7.379 7.653 -0.274 25958 3096 1 10 . 1 1 22 22 ILE N N 22 116.978 116.978 119.986 -3.008 25958 3097 1 10 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.694 0.021 25958 3098 1 10 . 1 1 22 22 ILE C C 22 177.909 177.909 178.224 -0.315 25958 3099 1 10 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.294 -0.774 25958 3100 1 10 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.995 -0.083 25958 3101 1 10 . 1 1 22 22 ILE H H 22 7.649 7.649 8.001 -0.352 25958 3102 1 10 . 1 1 23 23 LYS N N 23 122.631 122.631 119.904 2.727 25958 3103 1 10 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.879 -0.171 25958 3104 1 10 . 1 1 23 23 LYS C C 23 177.322 177.322 178.538 -1.216 25958 3105 1 10 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.580 0.963 25958 3106 1 10 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.951 0.544 25958 3107 1 10 . 1 1 23 23 LYS H H 23 9.094 9.094 7.988 1.106 25958 3108 1 10 . 1 1 24 24 GLU N N 24 117.756 117.756 119.604 -1.848 25958 3109 1 10 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.961 0.280 25958 3110 1 10 . 1 1 24 24 GLU C C 24 177.755 177.755 178.893 -1.138 25958 3111 1 10 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.962 -0.195 25958 3112 1 10 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.630 0.137 25958 3113 1 10 . 1 1 24 24 GLU H H 24 8.320 8.320 8.633 -0.313 25958 3114 1 10 . 1 1 25 25 SER N N 25 114.010 114.010 116.044 -2.034 25958 3115 1 10 . 1 1 25 25 SER HA H 25 4.174 4.174 4.175 -0.001 25958 3116 1 10 . 1 1 25 25 SER C C 25 175.840 175.840 176.904 -1.064 25958 3117 1 10 . 1 1 25 25 SER CA C 25 62.272 62.272 61.822 0.450 25958 3118 1 10 . 1 1 25 25 SER CB C 25 63.277 63.277 62.881 0.396 25958 3119 1 10 . 1 1 25 25 SER H H 25 7.425 7.425 7.983 -0.558 25958 3120 1 10 . 1 1 26 26 LEU N N 26 122.202 122.202 124.166 -1.964 25958 3121 1 10 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.128 -0.083 25958 3122 1 10 . 1 1 26 26 LEU C C 26 180.418 180.418 178.618 1.800 25958 3123 1 10 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.719 0.280 25958 3124 1 10 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.241 1.469 25958 3125 1 10 . 1 1 26 26 LEU H H 26 7.625 7.625 8.303 -0.678 25958 3126 1 10 . 1 1 27 27 GLU N N 27 118.591 118.591 119.001 -0.410 25958 3127 1 10 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.938 0.141 25958 3128 1 10 . 1 1 27 27 GLU C C 27 180.128 180.128 179.474 0.654 25958 3129 1 10 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.574 0.062 25958 3130 1 10 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.631 -0.074 25958 3131 1 10 . 1 1 27 27 GLU H H 27 8.593 8.593 8.374 0.219 25958 3132 1 10 . 1 1 28 28 LEU N N 28 119.793 119.793 121.068 -1.275 25958 3133 1 10 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.173 -0.206 25958 3134 1 10 . 1 1 28 28 LEU C C 28 178.567 178.567 179.034 -0.467 25958 3135 1 10 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.027 -0.738 25958 3136 1 10 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.406 0.442 25958 3137 1 10 . 1 1 28 28 LEU H H 28 8.468 8.468 8.540 -0.071 25958 3138 1 10 . 1 1 29 29 MET N N 29 115.804 115.804 118.086 -2.282 25958 3139 1 10 . 1 1 29 29 MET HA H 29 3.928 3.928 4.058 -0.130 25958 3140 1 10 . 1 1 29 29 MET C C 29 177.907 177.907 178.230 -0.323 25958 3141 1 10 . 1 1 29 29 MET CA C 29 58.463 58.463 58.758 -0.295 25958 3142 1 10 . 1 1 29 29 MET CB C 29 33.047 33.047 31.875 1.173 25958 3143 1 10 . 1 1 29 29 MET H H 29 7.279 7.279 7.969 -0.690 25958 3144 1 10 . 1 1 30 30 GLN N N 30 114.048 114.048 117.725 -3.677 25958 3145 1 10 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.140 -0.020 25958 3146 1 10 . 1 1 30 30 GLN C C 30 176.520 176.520 177.951 -1.431 25958 3147 1 10 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.988 -1.053 25958 3148 1 10 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.125 -0.783 25958 3149 1 10 . 1 1 30 30 GLN H H 30 7.138 7.138 7.661 -0.523 25958 3150 1 10 . 1 1 31 31 TYR N N 31 117.000 117.000 118.450 -1.450 25958 3151 1 10 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.391 0.092 25958 3152 1 10 . 1 1 31 31 TYR C C 31 176.095 176.095 176.093 0.002 25958 3153 1 10 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.880 -2.455 25958 3154 1 10 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.855 -1.363 25958 3155 1 10 . 1 1 31 31 TYR H H 31 7.764 7.764 7.917 -0.153 25958 3156 1 10 . 1 1 32 32 LEU N N 32 120.517 120.517 119.338 1.179 25958 3157 1 10 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.875 -1.969 25958 3158 1 10 . 1 1 32 32 LEU C C 32 174.141 174.141 175.404 -1.263 25958 3159 1 10 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.299 0.038 25958 3160 1 10 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.992 0.277 25958 3161 1 10 . 1 1 32 32 LEU H H 32 7.368 7.368 8.362 -0.994 25958 3162 1 10 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.389 0.158 25958 3163 1 10 . 1 1 34 34 GLN CB C 34 32.286 32.286 28.256 4.030 25958 3164 1 10 . 1 1 35 35 HIS N N 35 124.090 124.090 119.845 4.245 25958 3165 1 10 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.336 0.136 25958 3166 1 10 . 1 1 35 35 HIS C C 35 177.836 177.836 177.442 0.394 25958 3167 1 10 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.686 -1.320 25958 3168 1 10 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.914 -0.402 25958 3169 1 10 . 1 1 35 35 HIS H H 35 8.869 8.869 8.620 0.249 25958 3170 1 10 . 1 1 36 36 THR N N 36 119.182 119.182 114.816 4.366 25958 3171 1 10 . 1 1 36 36 THR HA H 36 3.946 3.946 4.105 -0.159 25958 3172 1 10 . 1 1 36 36 THR C C 36 176.029 176.029 176.281 -0.252 25958 3173 1 10 . 1 1 36 36 THR CA C 36 66.606 66.606 66.114 0.492 25958 3174 1 10 . 1 1 36 36 THR CB C 36 68.598 68.598 68.397 0.201 25958 3175 1 10 . 1 1 36 36 THR H H 36 7.138 7.138 7.563 -0.425 25958 3176 1 10 . 1 1 37 37 ILE N N 37 122.903 122.903 120.964 1.939 25958 3177 1 10 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.950 -0.388 25958 3178 1 10 . 1 1 37 37 ILE C C 37 177.685 177.685 177.860 -0.175 25958 3179 1 10 . 1 1 37 37 ILE CA C 37 65.667 65.667 62.953 2.715 25958 3180 1 10 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.506 1.698 25958 3181 1 10 . 1 1 37 37 ILE H H 37 7.193 7.193 8.185 -0.992 25958 3182 1 10 . 1 1 38 38 GLU N N 38 118.719 118.719 121.220 -2.501 25958 3183 1 10 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.960 0.089 25958 3184 1 10 . 1 1 38 38 GLU C C 38 179.575 179.575 178.924 0.651 25958 3185 1 10 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.086 -0.341 25958 3186 1 10 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.494 -0.053 25958 3187 1 10 . 1 1 38 38 GLU H H 38 8.578 8.578 8.416 0.162 25958 3188 1 10 . 1 1 39 39 THR N N 39 116.297 116.297 116.927 -0.630 25958 3189 1 10 . 1 1 39 39 THR HA H 39 3.936 3.936 3.890 0.046 25958 3190 1 10 . 1 1 39 39 THR C C 39 176.203 176.203 176.342 -0.139 25958 3191 1 10 . 1 1 39 39 THR CA C 39 66.989 66.989 66.922 0.067 25958 3192 1 10 . 1 1 39 39 THR CB C 39 68.845 68.845 68.553 0.292 25958 3193 1 10 . 1 1 39 39 THR H H 39 8.124 8.124 7.689 0.435 25958 3194 1 10 . 1 1 40 40 TYR N N 40 123.453 123.453 123.138 0.315 25958 3195 1 10 . 1 1 40 40 TYR HA H 40 4.223 4.223 3.998 0.225 25958 3196 1 10 . 1 1 40 40 TYR C C 40 178.058 178.058 177.534 0.524 25958 3197 1 10 . 1 1 40 40 TYR CA C 40 61.902 61.902 60.579 1.323 25958 3198 1 10 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.800 -0.217 25958 3199 1 10 . 1 1 40 40 TYR H H 40 7.730 7.730 8.057 -0.327 25958 3200 1 10 . 1 1 41 41 ARG N N 41 119.944 119.944 118.393 1.551 25958 3201 1 10 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.959 -0.157 25958 3202 1 10 . 1 1 41 41 ARG C C 41 179.552 179.552 178.750 0.802 25958 3203 1 10 . 1 1 41 41 ARG CA C 41 60.487 60.487 58.600 1.887 25958 3204 1 10 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.662 0.416 25958 3205 1 10 . 1 1 41 41 ARG H H 41 8.635 8.635 7.847 0.788 25958 3206 1 10 . 1 1 42 42 GLN N N 42 119.455 119.455 119.807 -0.352 25958 3207 1 10 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.999 0.084 25958 3208 1 10 . 1 1 42 42 GLN C C 42 178.700 178.700 178.671 0.029 25958 3209 1 10 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.297 -0.469 25958 3210 1 10 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.284 0.068 25958 3211 1 10 . 1 1 42 42 GLN H H 42 8.225 8.225 8.434 -0.209 25958 3212 1 10 . 1 1 43 43 GLN N N 43 118.905 118.905 118.462 0.443 25958 3213 1 10 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.991 0.097 25958 3214 1 10 . 1 1 43 43 GLN C C 43 178.664 178.664 178.529 0.135 25958 3215 1 10 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.825 -0.478 25958 3216 1 10 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.228 -0.049 25958 3217 1 10 . 1 1 43 43 GLN H H 43 7.894 7.894 8.463 -0.569 25958 3218 1 10 . 1 1 44 44 GLN N N 44 117.762 117.762 119.490 -1.728 25958 3219 1 10 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.990 -0.043 25958 3220 1 10 . 1 1 44 44 GLN C C 44 178.320 178.320 178.490 -0.170 25958 3221 1 10 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.899 -1.614 25958 3222 1 10 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.568 -0.407 25958 3223 1 10 . 1 1 44 44 GLN H H 44 8.034 8.034 7.796 0.238 25958 3224 1 10 . 1 1 45 45 GLN N N 45 119.382 119.382 118.639 0.743 25958 3225 1 10 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.059 0.133 25958 3226 1 10 . 1 1 45 45 GLN C C 45 177.742 177.742 178.441 -0.699 25958 3227 1 10 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.512 -0.341 25958 3228 1 10 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.777 -0.284 25958 3229 1 10 . 1 1 45 45 GLN H H 45 7.997 7.997 8.229 -0.232 25958 3230 1 10 . 1 1 46 46 GLN N N 46 118.664 118.664 119.905 -1.241 25958 3231 1 10 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.982 0.214 25958 3232 1 10 . 1 1 46 46 GLN C C 46 177.540 177.540 178.091 -0.551 25958 3233 1 10 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.476 -0.791 25958 3234 1 10 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.294 0.449 25958 3235 1 10 . 1 1 46 46 GLN H H 46 7.870 7.870 8.551 -0.681 25958 3236 1 10 . 1 1 47 47 GLN N N 47 118.622 118.622 119.791 -1.169 25958 3237 1 10 . 1 1 47 47 GLN C C 47 177.073 177.073 178.083 -1.010 25958 3238 1 10 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.391 -2.063 25958 3239 1 10 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.550 0.375 25958 3240 1 10 . 1 1 47 47 GLN H H 47 8.043 8.043 7.894 0.149 25958 3241 1 10 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.272 0.301 25958 3242 1 10 . 1 1 48 48 HIS C C 48 176.277 176.277 177.871 -1.594 25958 3243 1 10 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.862 -0.949 25958 3244 1 10 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.017 0.202 25958 3245 1 10 . 1 1 49 49 GLN N N 49 119.554 119.554 117.344 2.210 25958 3246 1 10 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.040 0.175 25958 3247 1 10 . 1 1 49 49 GLN C C 49 176.896 176.896 178.385 -1.489 25958 3248 1 10 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.168 -0.623 25958 3249 1 10 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.097 0.777 25958 3250 1 10 . 1 1 49 49 GLN H H 49 8.117 8.117 7.804 0.313 25958 3251 1 10 . 1 1 50 50 HIS N N 50 118.665 118.665 118.330 0.335 25958 3252 1 10 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.247 0.301 25958 3253 1 10 . 1 1 50 50 HIS C C 50 176.265 176.265 176.632 -0.367 25958 3254 1 10 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.053 -0.753 25958 3255 1 10 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.191 -0.002 25958 3256 1 10 . 1 1 50 50 HIS H H 50 8.138 8.138 8.312 -0.174 25958 3257 1 10 . 1 1 51 51 LEU N N 51 121.208 121.208 119.088 2.120 25958 3258 1 10 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.184 -0.014 25958 3259 1 10 . 1 1 51 51 LEU C C 51 177.627 177.627 178.183 -0.556 25958 3260 1 10 . 1 1 51 51 LEU CA C 51 56.203 56.203 56.968 -0.765 25958 3261 1 10 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.072 0.072 25958 3262 1 10 . 1 1 51 51 LEU H H 51 7.809 7.809 7.467 0.342 25958 3263 1 10 . 1 1 52 52 LEU N N 52 120.700 120.700 117.094 3.606 25958 3264 1 10 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.361 -0.183 25958 3265 1 10 . 1 1 52 52 LEU C C 52 177.799 177.799 177.797 0.002 25958 3266 1 10 . 1 1 52 52 LEU CA C 52 55.993 55.993 57.164 -1.171 25958 3267 1 10 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.093 0.025 25958 3268 1 10 . 1 1 52 52 LEU H H 52 7.924 7.924 8.043 -0.119 25958 3269 1 10 . 1 1 53 53 GLN N N 53 119.631 119.631 117.192 2.439 25958 3270 1 10 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.935 0.280 25958 3271 1 10 . 1 1 53 53 GLN C C 53 176.327 176.327 175.421 0.906 25958 3272 1 10 . 1 1 53 53 GLN CA C 53 56.492 56.492 58.063 -1.571 25958 3273 1 10 . 1 1 53 53 GLN CB C 53 29.202 29.202 28.081 1.121 25958 3274 1 10 . 1 1 53 53 GLN H H 53 7.986 7.986 8.227 -0.241 25958 3275 1 10 . 1 1 54 54 LYS N N 54 121.278 121.278 118.835 2.443 25958 3276 1 10 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.490 -0.263 25958 3277 1 10 . 1 1 54 54 LYS C C 54 176.812 176.812 176.016 0.796 25958 3278 1 10 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.438 0.242 25958 3279 1 10 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.524 -0.626 25958 3280 1 10 . 1 1 54 54 LYS H H 54 8.053 8.053 8.545 -0.492 25958 3281 1 10 . 1 1 55 55 GLN N N 55 120.539 120.539 120.025 0.514 25958 3282 1 10 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.577 -0.255 25958 3283 1 10 . 1 1 55 55 GLN C C 55 176.291 176.291 175.123 1.168 25958 3284 1 10 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.812 0.387 25958 3285 1 10 . 1 1 55 55 GLN CB C 55 29.392 29.392 28.440 0.952 25958 3286 1 10 . 1 1 55 55 GLN H H 55 8.249 8.249 8.172 0.077 25958 3287 1 10 . 1 1 56 56 THR N N 56 114.334 114.334 113.502 0.832 25958 3288 1 10 . 1 1 56 56 THR HA H 56 4.347 4.347 4.765 -0.418 25958 3289 1 10 . 1 1 56 56 THR C C 56 174.526 174.526 174.089 0.437 25958 3290 1 10 . 1 1 56 56 THR CA C 56 62.075 62.075 60.416 1.659 25958 3291 1 10 . 1 1 56 56 THR CB C 56 69.852 69.852 70.071 -0.219 25958 3292 1 10 . 1 1 56 56 THR H H 56 8.063 8.063 8.075 -0.012 25958 3293 1 10 . 1 1 57 57 SER N N 57 117.856 117.856 115.507 2.349 25958 3294 1 10 . 1 1 57 57 SER HA H 57 4.502 4.502 4.650 -0.148 25958 3295 1 10 . 1 1 57 57 SER C C 57 174.275 174.275 173.838 0.437 25958 3296 1 10 . 1 1 57 57 SER CA C 57 58.405 58.405 57.734 0.671 25958 3297 1 10 . 1 1 57 57 SER CB C 57 63.949 63.949 64.061 -0.112 25958 3298 1 10 . 1 1 57 57 SER H H 57 8.163 8.163 8.349 -0.186 25958 3299 1 10 . 1 1 58 58 ILE N N 58 122.144 122.144 122.404 -0.260 25958 3300 1 10 . 1 1 58 58 ILE HA H 58 4.194 4.194 3.960 0.234 25958 3301 1 10 . 1 1 58 58 ILE C C 58 176.006 176.006 175.647 0.359 25958 3302 1 10 . 1 1 58 58 ILE CA C 58 61.275 61.275 62.572 -1.297 25958 3303 1 10 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.464 0.356 25958 3304 1 10 . 1 1 58 58 ILE H H 58 8.049 8.049 8.123 -0.075 25958 3305 1 10 . 1 1 59 59 GLN N N 59 124.842 124.842 127.826 -2.984 25958 3306 1 10 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.379 0.037 25958 3307 1 10 . 1 1 59 59 GLN C C 59 174.974 174.974 175.485 -0.511 25958 3308 1 10 . 1 1 59 59 GLN CA C 59 55.845 55.845 56.471 -0.626 25958 3309 1 10 . 1 1 59 59 GLN CB C 59 29.748 29.748 29.365 0.383 25958 3310 1 10 . 1 1 59 59 GLN H H 59 8.327 8.327 8.210 0.117 25958 3311 1 11 . 1 1 2 2 ASP N N 2 121.276 121.276 121.306 -0.030 25958 3312 1 11 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.467 0.216 25958 3313 1 11 . 1 1 2 2 ASP C C 2 175.828 175.828 175.916 -0.088 25958 3314 1 11 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.938 -1.253 25958 3315 1 11 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.468 0.506 25958 3316 1 11 . 1 1 2 2 ASP H H 2 8.555 8.555 8.676 -0.121 25958 3317 1 11 . 1 1 3 3 ASP N N 3 119.296 119.296 117.319 1.977 25958 3318 1 11 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.568 0.012 25958 3319 1 11 . 1 1 3 3 ASP C C 3 175.884 175.884 175.765 0.119 25958 3320 1 11 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.080 1.039 25958 3321 1 11 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.009 1.296 25958 3322 1 11 . 1 1 3 3 ASP H H 3 8.004 8.004 8.031 -0.027 25958 3323 1 11 . 1 1 4 4 GLU N N 4 120.922 120.922 121.572 -0.650 25958 3324 1 11 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.104 0.031 25958 3325 1 11 . 1 1 4 4 GLU C C 4 174.979 174.979 175.912 -0.933 25958 3326 1 11 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.849 0.022 25958 3327 1 11 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.323 1.457 25958 3328 1 11 . 1 1 4 4 GLU H H 4 7.945 7.945 7.619 0.326 25958 3329 1 11 . 1 1 5 5 LEU N N 5 124.551 124.551 127.144 -2.593 25958 3330 1 11 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.263 0.276 25958 3331 1 11 . 1 1 5 5 LEU C C 5 175.305 175.305 176.068 -0.763 25958 3332 1 11 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.065 -0.194 25958 3333 1 11 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.967 0.874 25958 3334 1 11 . 1 1 5 5 LEU H H 5 8.042 8.042 8.426 -0.384 25958 3335 1 11 . 1 1 6 6 LEU N N 6 127.945 127.945 129.096 -1.151 25958 3336 1 11 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.543 -0.031 25958 3337 1 11 . 1 1 6 6 LEU C C 6 174.919 174.919 176.044 -1.125 25958 3338 1 11 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.848 -0.331 25958 3339 1 11 . 1 1 6 6 LEU CB C 6 45.589 45.589 44.139 1.450 25958 3340 1 11 . 1 1 6 6 LEU H H 6 8.799 8.799 8.385 0.414 25958 3341 1 11 . 1 1 7 7 TYR N N 7 117.176 117.176 122.702 -5.526 25958 3342 1 11 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.789 0.368 25958 3343 1 11 . 1 1 7 7 TYR C C 7 175.335 175.335 174.998 0.337 25958 3344 1 11 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.334 0.098 25958 3345 1 11 . 1 1 7 7 TYR CB C 7 40.944 40.944 41.228 -0.284 25958 3346 1 11 . 1 1 7 7 TYR H H 7 8.583 8.583 8.425 0.158 25958 3347 1 11 . 1 1 8 8 LEU N N 8 128.094 128.094 127.855 0.239 25958 3348 1 11 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.795 0.357 25958 3349 1 11 . 1 1 8 8 LEU C C 8 173.946 173.946 174.895 -0.949 25958 3350 1 11 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.464 -0.846 25958 3351 1 11 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.212 2.200 25958 3352 1 11 . 1 1 8 8 LEU H H 8 9.308 9.308 8.617 0.691 25958 3353 1 11 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.614 -0.087 25958 3354 1 11 . 1 1 9 9 PRO C C 9 176.758 176.758 175.743 1.015 25958 3355 1 11 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.935 -0.845 25958 3356 1 11 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.658 0.215 25958 3357 1 11 . 1 1 10 10 VAL N N 10 124.047 124.047 123.097 0.950 25958 3358 1 11 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.435 -0.226 25958 3359 1 11 . 1 1 10 10 VAL C C 10 173.446 173.446 174.703 -1.257 25958 3360 1 11 . 1 1 10 10 VAL CA C 10 61.618 61.618 60.915 0.703 25958 3361 1 11 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.079 0.590 25958 3362 1 11 . 1 1 10 10 VAL H H 10 9.193 9.193 8.106 1.087 25958 3363 1 11 . 1 1 11 11 ARG N N 11 127.433 127.433 124.478 2.955 25958 3364 1 11 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.688 0.011 25958 3365 1 11 . 1 1 11 11 ARG C C 11 176.092 176.092 174.986 1.106 25958 3366 1 11 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.577 -0.210 25958 3367 1 11 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.556 0.049 25958 3368 1 11 . 1 1 11 11 ARG H H 11 9.053 9.053 8.616 0.437 25958 3369 1 11 . 1 1 12 12 GLY N N 12 115.279 115.279 111.182 4.097 25958 3370 1 11 . 1 1 12 12 GLY C C 12 173.823 173.823 174.248 -0.425 25958 3371 1 11 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.280 -0.329 25958 3372 1 11 . 1 1 12 12 GLY H H 12 8.614 8.614 8.223 0.391 25958 3373 1 11 . 1 1 13 13 ARG N N 13 125.500 125.500 122.198 3.302 25958 3374 1 11 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.175 -0.323 25958 3375 1 11 . 1 1 13 13 ARG C C 13 177.793 177.793 178.215 -0.422 25958 3376 1 11 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.451 0.753 25958 3377 1 11 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.598 -0.831 25958 3378 1 11 . 1 1 13 13 ARG H H 13 8.774 8.774 8.591 0.183 25958 3379 1 11 . 1 1 14 14 GLU N N 14 119.254 119.254 118.259 0.995 25958 3380 1 11 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.289 -0.207 25958 3381 1 11 . 1 1 14 14 GLU C C 14 179.794 179.794 178.616 1.178 25958 3382 1 11 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.717 0.645 25958 3383 1 11 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.059 -0.100 25958 3384 1 11 . 1 1 14 14 GLU H H 14 8.888 8.888 8.867 0.021 25958 3385 1 11 . 1 1 15 15 THR N N 15 117.699 117.699 115.838 1.861 25958 3386 1 11 . 1 1 15 15 THR HA H 15 3.784 3.784 4.000 -0.216 25958 3387 1 11 . 1 1 15 15 THR C C 15 175.457 175.457 176.022 -0.565 25958 3388 1 11 . 1 1 15 15 THR CA C 15 66.498 66.498 67.124 -0.626 25958 3389 1 11 . 1 1 15 15 THR CB C 15 67.813 67.813 68.501 -0.688 25958 3390 1 11 . 1 1 15 15 THR H H 15 7.958 7.958 8.248 -0.290 25958 3391 1 11 . 1 1 16 16 TYR N N 16 122.365 122.365 121.981 0.384 25958 3392 1 11 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.039 -0.297 25958 3393 1 11 . 1 1 16 16 TYR C C 16 175.895 175.895 177.406 -1.511 25958 3394 1 11 . 1 1 16 16 TYR CA C 16 63.096 63.096 60.974 2.122 25958 3395 1 11 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.813 0.411 25958 3396 1 11 . 1 1 16 16 TYR H H 16 8.042 8.042 7.963 0.079 25958 3397 1 11 . 1 1 17 17 GLU N N 17 116.940 116.940 119.358 -2.418 25958 3398 1 11 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.694 0.133 25958 3399 1 11 . 1 1 17 17 GLU C C 17 179.448 179.448 178.657 0.791 25958 3400 1 11 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.396 0.483 25958 3401 1 11 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.479 -0.234 25958 3402 1 11 . 1 1 17 17 GLU H H 17 8.713 8.713 7.747 0.966 25958 3403 1 11 . 1 1 18 18 MET N N 18 118.965 118.965 120.593 -1.628 25958 3404 1 11 . 1 1 18 18 MET HA H 18 4.291 4.291 4.074 0.217 25958 3405 1 11 . 1 1 18 18 MET C C 18 178.050 178.050 178.341 -0.291 25958 3406 1 11 . 1 1 18 18 MET CA C 18 58.815 58.815 59.211 -0.396 25958 3407 1 11 . 1 1 18 18 MET CB C 18 32.736 32.736 32.732 0.004 25958 3408 1 11 . 1 1 18 18 MET H H 18 7.505 7.505 8.069 -0.564 25958 3409 1 11 . 1 1 19 19 LEU N N 19 117.499 117.499 120.129 -2.630 25958 3410 1 11 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.924 -0.101 25958 3411 1 11 . 1 1 19 19 LEU C C 19 178.443 178.443 179.034 -0.591 25958 3412 1 11 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.935 -0.374 25958 3413 1 11 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.703 0.052 25958 3414 1 11 . 1 1 19 19 LEU H H 19 8.151 8.151 8.124 0.027 25958 3415 1 11 . 1 1 20 20 LEU N N 20 120.873 120.873 119.650 1.223 25958 3416 1 11 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.770 -0.006 25958 3417 1 11 . 1 1 20 20 LEU C C 20 178.475 178.475 178.602 -0.127 25958 3418 1 11 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.002 0.700 25958 3419 1 11 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.499 0.366 25958 3420 1 11 . 1 1 20 20 LEU H H 20 8.649 8.649 8.340 0.309 25958 3421 1 11 . 1 1 21 21 GLU N N 21 118.433 118.433 120.255 -1.822 25958 3422 1 11 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.902 0.159 25958 3423 1 11 . 1 1 21 21 GLU C C 21 179.572 179.572 179.011 0.561 25958 3424 1 11 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.758 -0.058 25958 3425 1 11 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.770 -0.476 25958 3426 1 11 . 1 1 21 21 GLU H H 21 7.379 7.379 8.425 -1.046 25958 3427 1 11 . 1 1 22 22 ILE N N 22 116.978 116.978 120.088 -3.110 25958 3428 1 11 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.655 0.060 25958 3429 1 11 . 1 1 22 22 ILE C C 22 177.909 177.909 178.014 -0.105 25958 3430 1 11 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.068 -0.548 25958 3431 1 11 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.896 0.016 25958 3432 1 11 . 1 1 22 22 ILE H H 22 7.649 7.649 8.262 -0.613 25958 3433 1 11 . 1 1 23 23 LYS N N 23 122.631 122.631 120.126 2.505 25958 3434 1 11 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.896 -0.188 25958 3435 1 11 . 1 1 23 23 LYS C C 23 177.322 177.322 178.805 -1.483 25958 3436 1 11 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.765 0.778 25958 3437 1 11 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.107 0.388 25958 3438 1 11 . 1 1 23 23 LYS H H 23 9.094 9.094 8.159 0.935 25958 3439 1 11 . 1 1 24 24 GLU N N 24 117.756 117.756 119.249 -1.493 25958 3440 1 11 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.014 0.227 25958 3441 1 11 . 1 1 24 24 GLU C C 24 177.755 177.755 178.855 -1.100 25958 3442 1 11 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.697 0.070 25958 3443 1 11 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.431 0.336 25958 3444 1 11 . 1 1 24 24 GLU H H 24 8.320 8.320 8.451 -0.131 25958 3445 1 11 . 1 1 25 25 SER N N 25 114.010 114.010 116.403 -2.393 25958 3446 1 11 . 1 1 25 25 SER HA H 25 4.174 4.174 4.134 0.040 25958 3447 1 11 . 1 1 25 25 SER C C 25 175.840 175.840 177.078 -1.238 25958 3448 1 11 . 1 1 25 25 SER CA C 25 62.272 62.272 61.601 0.671 25958 3449 1 11 . 1 1 25 25 SER CB C 25 63.277 63.277 63.045 0.232 25958 3450 1 11 . 1 1 25 25 SER H H 25 7.425 7.425 7.708 -0.283 25958 3451 1 11 . 1 1 26 26 LEU N N 26 122.202 122.202 122.061 0.141 25958 3452 1 11 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.110 -0.065 25958 3453 1 11 . 1 1 26 26 LEU C C 26 180.418 180.418 178.327 2.091 25958 3454 1 11 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.462 0.537 25958 3455 1 11 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.974 0.736 25958 3456 1 11 . 1 1 26 26 LEU H H 26 7.625 7.625 8.035 -0.410 25958 3457 1 11 . 1 1 27 27 GLU N N 27 118.591 118.591 120.586 -1.995 25958 3458 1 11 . 1 1 27 27 GLU HA H 27 4.079 4.079 4.064 0.015 25958 3459 1 11 . 1 1 27 27 GLU C C 27 180.128 180.128 179.030 1.098 25958 3460 1 11 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.582 0.054 25958 3461 1 11 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.512 0.045 25958 3462 1 11 . 1 1 27 27 GLU H H 27 8.593 8.593 8.200 0.393 25958 3463 1 11 . 1 1 28 28 LEU N N 28 119.793 119.793 119.074 0.719 25958 3464 1 11 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.002 -0.035 25958 3465 1 11 . 1 1 28 28 LEU C C 28 178.567 178.567 179.164 -0.597 25958 3466 1 11 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.053 -0.764 25958 3467 1 11 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.845 0.002 25958 3468 1 11 . 1 1 28 28 LEU H H 28 8.468 8.468 8.274 0.194 25958 3469 1 11 . 1 1 29 29 MET N N 29 115.804 115.804 116.619 -0.815 25958 3470 1 11 . 1 1 29 29 MET HA H 29 3.928 3.928 4.116 -0.188 25958 3471 1 11 . 1 1 29 29 MET C C 29 177.907 177.907 177.829 0.078 25958 3472 1 11 . 1 1 29 29 MET CA C 29 58.463 58.463 58.227 0.236 25958 3473 1 11 . 1 1 29 29 MET CB C 29 33.047 33.047 32.111 0.936 25958 3474 1 11 . 1 1 29 29 MET H H 29 7.279 7.279 7.866 -0.587 25958 3475 1 11 . 1 1 30 30 GLN N N 30 114.048 114.048 117.845 -3.797 25958 3476 1 11 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.068 0.052 25958 3477 1 11 . 1 1 30 30 GLN C C 30 176.520 176.520 177.990 -1.470 25958 3478 1 11 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.137 -1.202 25958 3479 1 11 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.555 -0.213 25958 3480 1 11 . 1 1 30 30 GLN H H 30 7.138 7.138 7.753 -0.615 25958 3481 1 11 . 1 1 31 31 TYR N N 31 117.000 117.000 121.570 -4.570 25958 3482 1 11 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.366 0.117 25958 3483 1 11 . 1 1 31 31 TYR C C 31 176.095 176.095 175.402 0.693 25958 3484 1 11 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.891 -1.466 25958 3485 1 11 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.642 -1.150 25958 3486 1 11 . 1 1 31 31 TYR H H 31 7.764 7.764 7.976 -0.212 25958 3487 1 11 . 1 1 32 32 LEU N N 32 120.517 120.517 121.088 -0.571 25958 3488 1 11 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.764 -1.858 25958 3489 1 11 . 1 1 32 32 LEU C C 32 174.141 174.141 174.391 -0.250 25958 3490 1 11 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.022 1.315 25958 3491 1 11 . 1 1 32 32 LEU CB C 32 42.269 42.269 42.927 -0.658 25958 3492 1 11 . 1 1 32 32 LEU H H 32 7.368 7.368 8.068 -0.700 25958 3493 1 11 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.000 0.547 25958 3494 1 11 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.254 3.032 25958 3495 1 11 . 1 1 35 35 HIS N N 35 124.090 124.090 119.784 4.306 25958 3496 1 11 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.258 0.214 25958 3497 1 11 . 1 1 35 35 HIS C C 35 177.836 177.836 177.838 -0.002 25958 3498 1 11 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.081 -0.715 25958 3499 1 11 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.007 0.505 25958 3500 1 11 . 1 1 35 35 HIS H H 35 8.869 8.869 8.768 0.101 25958 3501 1 11 . 1 1 36 36 THR N N 36 119.182 119.182 116.253 2.929 25958 3502 1 11 . 1 1 36 36 THR HA H 36 3.946 3.946 4.095 -0.149 25958 3503 1 11 . 1 1 36 36 THR C C 36 176.029 176.029 176.836 -0.807 25958 3504 1 11 . 1 1 36 36 THR CA C 36 66.606 66.606 66.535 0.071 25958 3505 1 11 . 1 1 36 36 THR CB C 36 68.598 68.598 68.610 -0.012 25958 3506 1 11 . 1 1 36 36 THR H H 36 7.138 7.138 8.308 -1.170 25958 3507 1 11 . 1 1 37 37 ILE N N 37 122.903 122.903 121.529 1.374 25958 3508 1 11 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.780 -0.218 25958 3509 1 11 . 1 1 37 37 ILE C C 37 177.685 177.685 177.865 -0.180 25958 3510 1 11 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.225 1.442 25958 3511 1 11 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.591 0.613 25958 3512 1 11 . 1 1 37 37 ILE H H 37 7.193 7.193 7.607 -0.414 25958 3513 1 11 . 1 1 38 38 GLU N N 38 118.719 118.719 120.118 -1.399 25958 3514 1 11 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.935 0.114 25958 3515 1 11 . 1 1 38 38 GLU C C 38 179.575 179.575 178.792 0.783 25958 3516 1 11 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.008 -0.263 25958 3517 1 11 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.701 -0.260 25958 3518 1 11 . 1 1 38 38 GLU H H 38 8.578 8.578 8.649 -0.071 25958 3519 1 11 . 1 1 39 39 THR N N 39 116.297 116.297 117.391 -1.094 25958 3520 1 11 . 1 1 39 39 THR HA H 39 3.936 3.936 4.017 -0.081 25958 3521 1 11 . 1 1 39 39 THR C C 39 176.203 176.203 176.701 -0.498 25958 3522 1 11 . 1 1 39 39 THR CA C 39 66.989 66.989 66.980 0.009 25958 3523 1 11 . 1 1 39 39 THR CB C 39 68.845 68.845 68.574 0.271 25958 3524 1 11 . 1 1 39 39 THR H H 39 8.124 8.124 8.581 -0.457 25958 3525 1 11 . 1 1 40 40 TYR N N 40 123.453 123.453 122.422 1.031 25958 3526 1 11 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.117 0.106 25958 3527 1 11 . 1 1 40 40 TYR C C 40 178.058 178.058 176.905 1.153 25958 3528 1 11 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.620 -0.718 25958 3529 1 11 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.519 0.064 25958 3530 1 11 . 1 1 40 40 TYR H H 40 7.730 7.730 8.538 -0.808 25958 3531 1 11 . 1 1 41 41 ARG N N 41 119.944 119.944 118.660 1.284 25958 3532 1 11 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.905 -0.103 25958 3533 1 11 . 1 1 41 41 ARG C C 41 179.552 179.552 178.658 0.894 25958 3534 1 11 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.870 0.617 25958 3535 1 11 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.089 -0.011 25958 3536 1 11 . 1 1 41 41 ARG H H 41 8.635 8.635 7.851 0.784 25958 3537 1 11 . 1 1 42 42 GLN N N 42 119.455 119.455 117.750 1.705 25958 3538 1 11 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.984 0.099 25958 3539 1 11 . 1 1 42 42 GLN C C 42 178.700 178.700 178.684 0.016 25958 3540 1 11 . 1 1 42 42 GLN CA C 42 58.828 58.828 58.816 0.012 25958 3541 1 11 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.119 0.233 25958 3542 1 11 . 1 1 42 42 GLN H H 42 8.225 8.225 8.449 -0.224 25958 3543 1 11 . 1 1 43 43 GLN N N 43 118.905 118.905 119.852 -0.947 25958 3544 1 11 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.941 0.147 25958 3545 1 11 . 1 1 43 43 GLN C C 43 178.664 178.664 178.718 -0.054 25958 3546 1 11 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.815 -0.467 25958 3547 1 11 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.217 -0.038 25958 3548 1 11 . 1 1 43 43 GLN H H 43 7.894 7.894 8.167 -0.273 25958 3549 1 11 . 1 1 44 44 GLN N N 44 117.762 117.762 118.209 -0.447 25958 3550 1 11 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.113 -0.166 25958 3551 1 11 . 1 1 44 44 GLN C C 44 178.320 178.320 178.437 -0.117 25958 3552 1 11 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.204 -0.919 25958 3553 1 11 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.553 -0.392 25958 3554 1 11 . 1 1 44 44 GLN H H 44 8.034 8.034 7.660 0.374 25958 3555 1 11 . 1 1 45 45 GLN N N 45 119.382 119.382 121.619 -2.237 25958 3556 1 11 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.031 0.160 25958 3557 1 11 . 1 1 45 45 GLN C C 45 177.742 177.742 178.216 -0.474 25958 3558 1 11 . 1 1 45 45 GLN CA C 45 58.171 58.171 59.143 -0.972 25958 3559 1 11 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.625 -0.132 25958 3560 1 11 . 1 1 45 45 GLN H H 45 7.997 7.997 8.770 -0.773 25958 3561 1 11 . 1 1 46 46 GLN N N 46 118.664 118.664 118.892 -0.228 25958 3562 1 11 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.872 0.324 25958 3563 1 11 . 1 1 46 46 GLN C C 46 177.540 177.540 177.964 -0.424 25958 3564 1 11 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.897 -1.212 25958 3565 1 11 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.283 0.460 25958 3566 1 11 . 1 1 46 46 GLN H H 46 7.870 7.870 8.259 -0.389 25958 3567 1 11 . 1 1 47 47 GLN N N 47 118.622 118.622 118.123 0.499 25958 3568 1 11 . 1 1 47 47 GLN C C 47 177.073 177.073 178.555 -1.482 25958 3569 1 11 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.586 -1.258 25958 3570 1 11 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.601 0.324 25958 3571 1 11 . 1 1 47 47 GLN H H 47 8.043 8.043 7.719 0.324 25958 3572 1 11 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.204 0.369 25958 3573 1 11 . 1 1 48 48 HIS C C 48 176.277 176.277 177.510 -1.233 25958 3574 1 11 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.035 -1.122 25958 3575 1 11 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.009 0.210 25958 3576 1 11 . 1 1 49 49 GLN N N 49 119.554 119.554 118.186 1.368 25958 3577 1 11 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.697 0.518 25958 3578 1 11 . 1 1 49 49 GLN C C 49 176.896 176.896 178.517 -1.621 25958 3579 1 11 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.546 -1.001 25958 3580 1 11 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.315 0.559 25958 3581 1 11 . 1 1 49 49 GLN H H 49 8.117 8.117 8.503 -0.386 25958 3582 1 11 . 1 1 50 50 HIS N N 50 118.665 118.665 118.428 0.237 25958 3583 1 11 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.343 0.205 25958 3584 1 11 . 1 1 50 50 HIS C C 50 176.265 176.265 176.971 -0.706 25958 3585 1 11 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.908 -1.608 25958 3586 1 11 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.875 0.314 25958 3587 1 11 . 1 1 50 50 HIS H H 50 8.138 8.138 7.640 0.498 25958 3588 1 11 . 1 1 51 51 LEU N N 51 121.208 121.208 118.185 3.023 25958 3589 1 11 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.432 -0.262 25958 3590 1 11 . 1 1 51 51 LEU C C 51 177.627 177.627 176.798 0.829 25958 3591 1 11 . 1 1 51 51 LEU CA C 51 56.203 56.203 54.405 1.798 25958 3592 1 11 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.487 0.657 25958 3593 1 11 . 1 1 51 51 LEU H H 51 7.809 7.809 7.819 -0.010 25958 3594 1 11 . 1 1 52 52 LEU N N 52 120.700 120.700 118.777 1.923 25958 3595 1 11 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.016 0.162 25958 3596 1 11 . 1 1 52 52 LEU C C 52 177.799 177.799 177.025 0.774 25958 3597 1 11 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.438 0.555 25958 3598 1 11 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.478 -0.360 25958 3599 1 11 . 1 1 52 52 LEU H H 52 7.924 7.924 7.164 0.760 25958 3600 1 11 . 1 1 53 53 GLN N N 53 119.631 119.631 118.380 1.251 25958 3601 1 11 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.207 0.008 25958 3602 1 11 . 1 1 53 53 GLN C C 53 176.327 176.327 176.161 0.166 25958 3603 1 11 . 1 1 53 53 GLN CA C 53 56.492 56.492 55.888 0.605 25958 3604 1 11 . 1 1 53 53 GLN CB C 53 29.202 29.202 27.793 1.409 25958 3605 1 11 . 1 1 53 53 GLN H H 53 7.986 7.986 8.120 -0.134 25958 3606 1 11 . 1 1 54 54 LYS N N 54 121.278 121.278 123.251 -1.973 25958 3607 1 11 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.128 0.099 25958 3608 1 11 . 1 1 54 54 LYS C C 54 176.812 176.812 176.699 0.113 25958 3609 1 11 . 1 1 54 54 LYS CA C 54 56.680 56.680 57.215 -0.535 25958 3610 1 11 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.709 0.189 25958 3611 1 11 . 1 1 54 54 LYS H H 54 8.053 8.053 8.127 -0.074 25958 3612 1 11 . 1 1 55 55 GLN N N 55 120.539 120.539 118.926 1.613 25958 3613 1 11 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.062 0.260 25958 3614 1 11 . 1 1 55 55 GLN C C 55 176.291 176.291 174.638 1.653 25958 3615 1 11 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.909 0.290 25958 3616 1 11 . 1 1 55 55 GLN CB C 55 29.392 29.392 28.464 0.928 25958 3617 1 11 . 1 1 55 55 GLN H H 55 8.249 8.249 8.202 0.047 25958 3618 1 11 . 1 1 56 56 THR N N 56 114.334 114.334 115.569 -1.235 25958 3619 1 11 . 1 1 56 56 THR HA H 56 4.347 4.347 4.139 0.208 25958 3620 1 11 . 1 1 56 56 THR C C 56 174.526 174.526 173.353 1.173 25958 3621 1 11 . 1 1 56 56 THR CA C 56 62.075 62.075 63.044 -0.969 25958 3622 1 11 . 1 1 56 56 THR CB C 56 69.852 69.852 68.563 1.289 25958 3623 1 11 . 1 1 56 56 THR H H 56 8.063 8.063 8.162 -0.099 25958 3624 1 11 . 1 1 57 57 SER N N 57 117.856 117.856 116.570 1.286 25958 3625 1 11 . 1 1 57 57 SER HA H 57 4.502 4.502 4.728 -0.226 25958 3626 1 11 . 1 1 57 57 SER C C 57 174.275 174.275 172.289 1.986 25958 3627 1 11 . 1 1 57 57 SER CA C 57 58.405 58.405 58.041 0.364 25958 3628 1 11 . 1 1 57 57 SER CB C 57 63.949 63.949 64.079 -0.130 25958 3629 1 11 . 1 1 57 57 SER H H 57 8.163 8.163 7.956 0.207 25958 3630 1 11 . 1 1 58 58 ILE N N 58 122.144 122.144 123.776 -1.632 25958 3631 1 11 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.492 -0.298 25958 3632 1 11 . 1 1 58 58 ILE C C 58 176.006 176.006 173.843 2.163 25958 3633 1 11 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.300 -0.025 25958 3634 1 11 . 1 1 58 58 ILE CB C 58 38.820 38.820 40.184 -1.364 25958 3635 1 11 . 1 1 58 58 ILE H H 58 8.049 8.049 8.078 -0.029 25958 3636 1 11 . 1 1 59 59 GLN N N 59 124.842 124.842 124.546 0.296 25958 3637 1 11 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.742 -0.326 25958 3638 1 11 . 1 1 59 59 GLN C C 59 174.974 174.974 174.574 0.400 25958 3639 1 11 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.092 0.753 25958 3640 1 11 . 1 1 59 59 GLN CB C 59 29.748 29.748 30.691 -0.943 25958 3641 1 11 . 1 1 59 59 GLN H H 59 8.327 8.327 8.585 -0.258 25958 3642 1 12 . 1 1 2 2 ASP N N 2 121.276 121.276 122.437 -1.161 25958 3643 1 12 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.699 -0.016 25958 3644 1 12 . 1 1 2 2 ASP C C 2 175.828 175.828 176.604 -0.776 25958 3645 1 12 . 1 1 2 2 ASP CA C 2 54.685 54.685 53.983 0.702 25958 3646 1 12 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.186 -0.212 25958 3647 1 12 . 1 1 2 2 ASP H H 2 8.555 8.555 8.540 0.015 25958 3648 1 12 . 1 1 3 3 ASP N N 3 119.296 119.296 119.610 -0.314 25958 3649 1 12 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.535 0.045 25958 3650 1 12 . 1 1 3 3 ASP C C 3 175.884 175.884 176.474 -0.590 25958 3651 1 12 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.345 -0.226 25958 3652 1 12 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.369 -0.064 25958 3653 1 12 . 1 1 3 3 ASP H H 3 8.004 8.004 8.143 -0.139 25958 3654 1 12 . 1 1 4 4 GLU N N 4 120.922 120.922 120.563 0.359 25958 3655 1 12 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.164 -0.029 25958 3656 1 12 . 1 1 4 4 GLU C C 4 174.979 174.979 175.869 -0.890 25958 3657 1 12 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.388 0.483 25958 3658 1 12 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.593 1.187 25958 3659 1 12 . 1 1 4 4 GLU H H 4 7.945 7.945 8.048 -0.103 25958 3660 1 12 . 1 1 5 5 LEU N N 5 124.551 124.551 127.804 -3.253 25958 3661 1 12 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.319 0.220 25958 3662 1 12 . 1 1 5 5 LEU C C 5 175.305 175.305 176.230 -0.925 25958 3663 1 12 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.159 -0.288 25958 3664 1 12 . 1 1 5 5 LEU CB C 5 42.841 42.841 42.182 0.659 25958 3665 1 12 . 1 1 5 5 LEU H H 5 8.042 8.042 8.460 -0.418 25958 3666 1 12 . 1 1 6 6 LEU N N 6 127.945 127.945 128.714 -0.769 25958 3667 1 12 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.640 -0.128 25958 3668 1 12 . 1 1 6 6 LEU C C 6 174.919 174.919 175.806 -0.887 25958 3669 1 12 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.224 -0.707 25958 3670 1 12 . 1 1 6 6 LEU CB C 6 45.589 45.589 44.569 1.020 25958 3671 1 12 . 1 1 6 6 LEU H H 6 8.799 8.799 8.156 0.643 25958 3672 1 12 . 1 1 7 7 TYR N N 7 117.176 117.176 120.768 -3.592 25958 3673 1 12 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.792 0.365 25958 3674 1 12 . 1 1 7 7 TYR C C 7 175.335 175.335 174.961 0.374 25958 3675 1 12 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.659 -0.227 25958 3676 1 12 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.823 1.121 25958 3677 1 12 . 1 1 7 7 TYR H H 7 8.583 8.583 8.530 0.053 25958 3678 1 12 . 1 1 8 8 LEU N N 8 128.094 128.094 127.934 0.160 25958 3679 1 12 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.832 0.320 25958 3680 1 12 . 1 1 8 8 LEU C C 8 173.946 173.946 175.242 -1.296 25958 3681 1 12 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.352 -0.734 25958 3682 1 12 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.584 2.828 25958 3683 1 12 . 1 1 8 8 LEU H H 8 9.308 9.308 8.564 0.744 25958 3684 1 12 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.653 -0.126 25958 3685 1 12 . 1 1 9 9 PRO C C 9 176.758 176.758 175.786 0.972 25958 3686 1 12 . 1 1 9 9 PRO CA C 9 62.090 62.090 63.118 -1.028 25958 3687 1 12 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.473 0.400 25958 3688 1 12 . 1 1 10 10 VAL N N 10 124.047 124.047 124.271 -0.224 25958 3689 1 12 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.471 -0.262 25958 3690 1 12 . 1 1 10 10 VAL C C 10 173.446 173.446 175.030 -1.584 25958 3691 1 12 . 1 1 10 10 VAL CA C 10 61.618 61.618 60.985 0.633 25958 3692 1 12 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.598 0.071 25958 3693 1 12 . 1 1 10 10 VAL H H 10 9.193 9.193 8.195 0.998 25958 3694 1 12 . 1 1 11 11 ARG N N 11 127.433 127.433 123.476 3.957 25958 3695 1 12 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.719 -0.020 25958 3696 1 12 . 1 1 11 11 ARG C C 11 176.092 176.092 175.196 0.896 25958 3697 1 12 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.654 -0.287 25958 3698 1 12 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.629 -0.024 25958 3699 1 12 . 1 1 11 11 ARG H H 11 9.053 9.053 8.691 0.362 25958 3700 1 12 . 1 1 12 12 GLY N N 12 115.279 115.279 112.094 3.185 25958 3701 1 12 . 1 1 12 12 GLY C C 12 173.823 173.823 174.174 -0.351 25958 3702 1 12 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.368 -0.417 25958 3703 1 12 . 1 1 12 12 GLY H H 12 8.614 8.614 8.377 0.237 25958 3704 1 12 . 1 1 13 13 ARG N N 13 125.500 125.500 124.550 0.950 25958 3705 1 12 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.103 -0.251 25958 3706 1 12 . 1 1 13 13 ARG C C 13 177.793 177.793 177.473 0.320 25958 3707 1 12 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.746 0.458 25958 3708 1 12 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.338 -0.571 25958 3709 1 12 . 1 1 13 13 ARG H H 13 8.774 8.774 8.763 0.011 25958 3710 1 12 . 1 1 14 14 GLU N N 14 119.254 119.254 117.981 1.273 25958 3711 1 12 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.261 -0.179 25958 3712 1 12 . 1 1 14 14 GLU C C 14 179.794 179.794 178.775 1.019 25958 3713 1 12 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.673 0.688 25958 3714 1 12 . 1 1 14 14 GLU CB C 14 28.959 28.959 29.135 -0.176 25958 3715 1 12 . 1 1 14 14 GLU H H 14 8.888 8.888 8.967 -0.079 25958 3716 1 12 . 1 1 15 15 THR N N 15 117.699 117.699 116.514 1.185 25958 3717 1 12 . 1 1 15 15 THR HA H 15 3.784 3.784 4.060 -0.276 25958 3718 1 12 . 1 1 15 15 THR C C 15 175.457 175.457 176.223 -0.766 25958 3719 1 12 . 1 1 15 15 THR CA C 15 66.498 66.498 66.442 0.056 25958 3720 1 12 . 1 1 15 15 THR CB C 15 67.813 67.813 68.590 -0.777 25958 3721 1 12 . 1 1 15 15 THR H H 15 7.958 7.958 8.063 -0.105 25958 3722 1 12 . 1 1 16 16 TYR N N 16 122.365 122.365 122.677 -0.312 25958 3723 1 12 . 1 1 16 16 TYR HA H 16 3.742 3.742 3.978 -0.236 25958 3724 1 12 . 1 1 16 16 TYR C C 16 175.895 175.895 177.366 -1.471 25958 3725 1 12 . 1 1 16 16 TYR CA C 16 63.096 63.096 62.003 1.093 25958 3726 1 12 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.599 0.625 25958 3727 1 12 . 1 1 16 16 TYR H H 16 8.042 8.042 8.599 -0.557 25958 3728 1 12 . 1 1 17 17 GLU N N 17 116.940 116.940 118.208 -1.268 25958 3729 1 12 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.867 -0.040 25958 3730 1 12 . 1 1 17 17 GLU C C 17 179.448 179.448 179.031 0.417 25958 3731 1 12 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.440 0.439 25958 3732 1 12 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.198 0.047 25958 3733 1 12 . 1 1 17 17 GLU H H 17 8.713 8.713 8.007 0.706 25958 3734 1 12 . 1 1 18 18 MET N N 18 118.965 118.965 119.689 -0.724 25958 3735 1 12 . 1 1 18 18 MET HA H 18 4.291 4.291 4.133 0.158 25958 3736 1 12 . 1 1 18 18 MET C C 18 178.050 178.050 178.556 -0.506 25958 3737 1 12 . 1 1 18 18 MET CA C 18 58.815 58.815 58.986 -0.172 25958 3738 1 12 . 1 1 18 18 MET CB C 18 32.736 32.736 32.658 0.077 25958 3739 1 12 . 1 1 18 18 MET H H 18 7.505 7.505 8.021 -0.516 25958 3740 1 12 . 1 1 19 19 LEU N N 19 117.499 117.499 120.036 -2.537 25958 3741 1 12 . 1 1 19 19 LEU HA H 19 3.823 3.823 4.009 -0.186 25958 3742 1 12 . 1 1 19 19 LEU C C 19 178.443 178.443 179.475 -1.032 25958 3743 1 12 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.219 -0.658 25958 3744 1 12 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.235 0.520 25958 3745 1 12 . 1 1 19 19 LEU H H 19 8.151 8.151 8.406 -0.255 25958 3746 1 12 . 1 1 20 20 LEU N N 20 120.873 120.873 120.399 0.474 25958 3747 1 12 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.758 0.006 25958 3748 1 12 . 1 1 20 20 LEU C C 20 178.475 178.475 178.798 -0.323 25958 3749 1 12 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.098 0.604 25958 3750 1 12 . 1 1 20 20 LEU CB C 20 41.865 41.865 40.334 1.531 25958 3751 1 12 . 1 1 20 20 LEU H H 20 8.649 8.649 8.384 0.265 25958 3752 1 12 . 1 1 21 21 GLU N N 21 118.433 118.433 119.593 -1.160 25958 3753 1 12 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.947 0.114 25958 3754 1 12 . 1 1 21 21 GLU C C 21 179.572 179.572 179.643 -0.071 25958 3755 1 12 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.998 -0.298 25958 3756 1 12 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.633 -0.339 25958 3757 1 12 . 1 1 21 21 GLU H H 21 7.379 7.379 8.186 -0.807 25958 3758 1 12 . 1 1 22 22 ILE N N 22 116.978 116.978 119.316 -2.338 25958 3759 1 12 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.760 -0.045 25958 3760 1 12 . 1 1 22 22 ILE C C 22 177.909 177.909 177.854 0.055 25958 3761 1 12 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.877 -0.357 25958 3762 1 12 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.704 0.208 25958 3763 1 12 . 1 1 22 22 ILE H H 22 7.649 7.649 8.238 -0.589 25958 3764 1 12 . 1 1 23 23 LYS N N 23 122.631 122.631 120.911 1.720 25958 3765 1 12 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.927 -0.219 25958 3766 1 12 . 1 1 23 23 LYS C C 23 177.322 177.322 178.702 -1.380 25958 3767 1 12 . 1 1 23 23 LYS CA C 23 60.543 60.543 60.105 0.438 25958 3768 1 12 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.238 0.257 25958 3769 1 12 . 1 1 23 23 LYS H H 23 9.094 9.094 7.790 1.304 25958 3770 1 12 . 1 1 24 24 GLU N N 24 117.756 117.756 118.730 -0.974 25958 3771 1 12 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.087 0.154 25958 3772 1 12 . 1 1 24 24 GLU C C 24 177.755 177.755 178.864 -1.109 25958 3773 1 12 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.190 0.577 25958 3774 1 12 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.256 0.511 25958 3775 1 12 . 1 1 24 24 GLU H H 24 8.320 8.320 8.332 -0.012 25958 3776 1 12 . 1 1 25 25 SER N N 25 114.010 114.010 116.079 -2.069 25958 3777 1 12 . 1 1 25 25 SER HA H 25 4.174 4.174 4.189 -0.015 25958 3778 1 12 . 1 1 25 25 SER C C 25 175.840 175.840 176.596 -0.756 25958 3779 1 12 . 1 1 25 25 SER CA C 25 62.272 62.272 61.998 0.274 25958 3780 1 12 . 1 1 25 25 SER CB C 25 63.277 63.277 63.017 0.260 25958 3781 1 12 . 1 1 25 25 SER H H 25 7.425 7.425 8.178 -0.753 25958 3782 1 12 . 1 1 26 26 LEU N N 26 122.202 122.202 122.026 0.176 25958 3783 1 12 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.058 -0.013 25958 3784 1 12 . 1 1 26 26 LEU C C 26 180.418 180.418 178.737 1.681 25958 3785 1 12 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.881 0.118 25958 3786 1 12 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.189 1.521 25958 3787 1 12 . 1 1 26 26 LEU H H 26 7.625 7.625 7.620 0.005 25958 3788 1 12 . 1 1 27 27 GLU N N 27 118.591 118.591 119.522 -0.931 25958 3789 1 12 . 1 1 27 27 GLU HA H 27 4.079 4.079 4.026 0.053 25958 3790 1 12 . 1 1 27 27 GLU C C 27 180.128 180.128 179.543 0.585 25958 3791 1 12 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.731 -0.095 25958 3792 1 12 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.491 0.066 25958 3793 1 12 . 1 1 27 27 GLU H H 27 8.593 8.593 8.083 0.510 25958 3794 1 12 . 1 1 28 28 LEU N N 28 119.793 119.793 120.703 -0.910 25958 3795 1 12 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.217 -0.250 25958 3796 1 12 . 1 1 28 28 LEU C C 28 178.567 178.567 179.103 -0.536 25958 3797 1 12 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.124 -0.835 25958 3798 1 12 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.398 0.449 25958 3799 1 12 . 1 1 28 28 LEU H H 28 8.468 8.468 8.544 -0.076 25958 3800 1 12 . 1 1 29 29 MET N N 29 115.804 115.804 117.271 -1.467 25958 3801 1 12 . 1 1 29 29 MET HA H 29 3.928 3.928 4.004 -0.076 25958 3802 1 12 . 1 1 29 29 MET C C 29 177.907 177.907 177.600 0.307 25958 3803 1 12 . 1 1 29 29 MET CA C 29 58.463 58.463 58.467 -0.004 25958 3804 1 12 . 1 1 29 29 MET CB C 29 33.047 33.047 32.212 0.835 25958 3805 1 12 . 1 1 29 29 MET H H 29 7.279 7.279 8.152 -0.873 25958 3806 1 12 . 1 1 30 30 GLN N N 30 114.048 114.048 116.146 -2.098 25958 3807 1 12 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.140 -0.020 25958 3808 1 12 . 1 1 30 30 GLN C C 30 176.520 176.520 177.667 -1.147 25958 3809 1 12 . 1 1 30 30 GLN CA C 30 56.935 56.935 57.497 -0.562 25958 3810 1 12 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.506 -1.164 25958 3811 1 12 . 1 1 30 30 GLN H H 30 7.138 7.138 7.538 -0.400 25958 3812 1 12 . 1 1 31 31 TYR N N 31 117.000 117.000 118.248 -1.248 25958 3813 1 12 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.351 0.132 25958 3814 1 12 . 1 1 31 31 TYR C C 31 176.095 176.095 176.610 -0.515 25958 3815 1 12 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.129 -1.704 25958 3816 1 12 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.271 -0.779 25958 3817 1 12 . 1 1 31 31 TYR H H 31 7.764 7.764 7.850 -0.086 25958 3818 1 12 . 1 1 32 32 LEU N N 32 120.517 120.517 119.195 1.322 25958 3819 1 12 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.726 -1.820 25958 3820 1 12 . 1 1 32 32 LEU C C 32 174.141 174.141 174.959 -0.818 25958 3821 1 12 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.370 -0.033 25958 3822 1 12 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.118 1.151 25958 3823 1 12 . 1 1 32 32 LEU H H 32 7.368 7.368 7.865 -0.497 25958 3824 1 12 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.030 0.517 25958 3825 1 12 . 1 1 34 34 GLN CB C 34 32.286 32.286 28.275 4.011 25958 3826 1 12 . 1 1 35 35 HIS N N 35 124.090 124.090 118.128 5.962 25958 3827 1 12 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.192 0.280 25958 3828 1 12 . 1 1 35 35 HIS C C 35 177.836 177.836 177.757 0.079 25958 3829 1 12 . 1 1 35 35 HIS CA C 35 59.366 59.366 59.514 -0.148 25958 3830 1 12 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.814 -0.302 25958 3831 1 12 . 1 1 35 35 HIS H H 35 8.869 8.869 8.631 0.238 25958 3832 1 12 . 1 1 36 36 THR N N 36 119.182 119.182 114.230 4.952 25958 3833 1 12 . 1 1 36 36 THR HA H 36 3.946 3.946 4.166 -0.220 25958 3834 1 12 . 1 1 36 36 THR C C 36 176.029 176.029 176.457 -0.428 25958 3835 1 12 . 1 1 36 36 THR CA C 36 66.606 66.606 66.383 0.223 25958 3836 1 12 . 1 1 36 36 THR CB C 36 68.598 68.598 68.394 0.204 25958 3837 1 12 . 1 1 36 36 THR H H 36 7.138 7.138 8.059 -0.921 25958 3838 1 12 . 1 1 37 37 ILE N N 37 122.903 122.903 121.789 1.114 25958 3839 1 12 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.924 -0.362 25958 3840 1 12 . 1 1 37 37 ILE C C 37 177.685 177.685 177.920 -0.235 25958 3841 1 12 . 1 1 37 37 ILE CA C 37 65.667 65.667 63.481 2.186 25958 3842 1 12 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.639 1.565 25958 3843 1 12 . 1 1 37 37 ILE H H 37 7.193 7.193 7.913 -0.720 25958 3844 1 12 . 1 1 38 38 GLU N N 38 118.719 118.719 120.856 -2.137 25958 3845 1 12 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.958 0.091 25958 3846 1 12 . 1 1 38 38 GLU C C 38 179.575 179.575 179.378 0.197 25958 3847 1 12 . 1 1 38 38 GLU CA C 38 59.745 59.745 59.887 -0.142 25958 3848 1 12 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.737 -0.296 25958 3849 1 12 . 1 1 38 38 GLU H H 38 8.578 8.578 8.463 0.115 25958 3850 1 12 . 1 1 39 39 THR N N 39 116.297 116.297 116.339 -0.042 25958 3851 1 12 . 1 1 39 39 THR HA H 39 3.936 3.936 4.031 -0.095 25958 3852 1 12 . 1 1 39 39 THR C C 39 176.203 176.203 176.350 -0.147 25958 3853 1 12 . 1 1 39 39 THR CA C 39 66.989 66.989 67.087 -0.098 25958 3854 1 12 . 1 1 39 39 THR CB C 39 68.845 68.845 68.682 0.163 25958 3855 1 12 . 1 1 39 39 THR H H 39 8.124 8.124 7.865 0.259 25958 3856 1 12 . 1 1 40 40 TYR N N 40 123.453 123.453 122.614 0.839 25958 3857 1 12 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.078 0.145 25958 3858 1 12 . 1 1 40 40 TYR C C 40 178.058 178.058 177.507 0.551 25958 3859 1 12 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.220 0.682 25958 3860 1 12 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.220 0.363 25958 3861 1 12 . 1 1 40 40 TYR H H 40 7.730 7.730 8.677 -0.947 25958 3862 1 12 . 1 1 41 41 ARG N N 41 119.944 119.944 119.083 0.861 25958 3863 1 12 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.699 0.103 25958 3864 1 12 . 1 1 41 41 ARG C C 41 179.552 179.552 178.842 0.710 25958 3865 1 12 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.549 0.938 25958 3866 1 12 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.906 0.172 25958 3867 1 12 . 1 1 41 41 ARG H H 41 8.635 8.635 8.322 0.313 25958 3868 1 12 . 1 1 42 42 GLN N N 42 119.455 119.455 119.874 -0.419 25958 3869 1 12 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.887 0.196 25958 3870 1 12 . 1 1 42 42 GLN C C 42 178.700 178.700 178.299 0.401 25958 3871 1 12 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.194 -0.367 25958 3872 1 12 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.559 -0.207 25958 3873 1 12 . 1 1 42 42 GLN H H 42 8.225 8.225 8.272 -0.047 25958 3874 1 12 . 1 1 43 43 GLN N N 43 118.905 118.905 118.689 0.216 25958 3875 1 12 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.945 0.143 25958 3876 1 12 . 1 1 43 43 GLN C C 43 178.664 178.664 178.644 0.020 25958 3877 1 12 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.709 -0.362 25958 3878 1 12 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.070 0.109 25958 3879 1 12 . 1 1 43 43 GLN H H 43 7.894 7.894 8.499 -0.605 25958 3880 1 12 . 1 1 44 44 GLN N N 44 117.762 117.762 119.141 -1.379 25958 3881 1 12 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.736 0.211 25958 3882 1 12 . 1 1 44 44 GLN C C 44 178.320 178.320 178.211 0.109 25958 3883 1 12 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.803 -1.518 25958 3884 1 12 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.234 -0.073 25958 3885 1 12 . 1 1 44 44 GLN H H 44 8.034 8.034 8.144 -0.110 25958 3886 1 12 . 1 1 45 45 GLN N N 45 119.382 119.382 119.527 -0.145 25958 3887 1 12 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.054 0.137 25958 3888 1 12 . 1 1 45 45 GLN C C 45 177.742 177.742 178.652 -0.910 25958 3889 1 12 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.722 -0.551 25958 3890 1 12 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.625 -0.133 25958 3891 1 12 . 1 1 45 45 GLN H H 45 7.997 7.997 7.918 0.079 25958 3892 1 12 . 1 1 46 46 GLN N N 46 118.664 118.664 119.278 -0.614 25958 3893 1 12 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.726 0.470 25958 3894 1 12 . 1 1 46 46 GLN C C 46 177.540 177.540 178.406 -0.866 25958 3895 1 12 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.857 -1.172 25958 3896 1 12 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.419 0.324 25958 3897 1 12 . 1 1 46 46 GLN H H 46 7.870 7.870 8.434 -0.564 25958 3898 1 12 . 1 1 47 47 GLN N N 47 118.622 118.622 116.489 2.133 25958 3899 1 12 . 1 1 47 47 GLN C C 47 177.073 177.073 178.424 -1.351 25958 3900 1 12 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.164 -0.836 25958 3901 1 12 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.209 0.716 25958 3902 1 12 . 1 1 47 47 GLN H H 47 8.043 8.043 8.352 -0.309 25958 3903 1 12 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.208 0.365 25958 3904 1 12 . 1 1 48 48 HIS C C 48 176.277 176.277 177.640 -1.363 25958 3905 1 12 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.182 -1.269 25958 3906 1 12 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.814 0.405 25958 3907 1 12 . 1 1 49 49 GLN N N 49 119.554 119.554 118.643 0.911 25958 3908 1 12 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.955 0.260 25958 3909 1 12 . 1 1 49 49 GLN C C 49 176.896 176.896 178.586 -1.690 25958 3910 1 12 . 1 1 49 49 GLN CA C 49 57.545 57.545 59.316 -1.771 25958 3911 1 12 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.402 0.472 25958 3912 1 12 . 1 1 49 49 GLN H H 49 8.117 8.117 7.839 0.278 25958 3913 1 12 . 1 1 50 50 HIS N N 50 118.665 118.665 117.808 0.857 25958 3914 1 12 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.480 0.068 25958 3915 1 12 . 1 1 50 50 HIS C C 50 176.265 176.265 177.403 -1.138 25958 3916 1 12 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.001 -0.701 25958 3917 1 12 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.895 0.294 25958 3918 1 12 . 1 1 50 50 HIS H H 50 8.138 8.138 8.265 -0.127 25958 3919 1 12 . 1 1 51 51 LEU N N 51 121.208 121.208 118.964 2.244 25958 3920 1 12 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.207 -0.037 25958 3921 1 12 . 1 1 51 51 LEU C C 51 177.627 177.627 177.999 -0.372 25958 3922 1 12 . 1 1 51 51 LEU CA C 51 56.203 56.203 56.114 0.089 25958 3923 1 12 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.459 -0.315 25958 3924 1 12 . 1 1 51 51 LEU H H 51 7.809 7.809 7.573 0.236 25958 3925 1 12 . 1 1 52 52 LEU N N 52 120.700 120.700 118.837 1.863 25958 3926 1 12 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.045 0.133 25958 3927 1 12 . 1 1 52 52 LEU C C 52 177.799 177.799 177.981 -0.182 25958 3928 1 12 . 1 1 52 52 LEU CA C 52 55.993 55.993 57.203 -1.210 25958 3929 1 12 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.099 0.019 25958 3930 1 12 . 1 1 52 52 LEU H H 52 7.924 7.924 7.565 0.359 25958 3931 1 12 . 1 1 53 53 GLN N N 53 119.631 119.631 118.056 1.575 25958 3932 1 12 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.254 -0.039 25958 3933 1 12 . 1 1 53 53 GLN C C 53 176.327 176.327 175.393 0.934 25958 3934 1 12 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.699 -0.207 25958 3935 1 12 . 1 1 53 53 GLN CB C 53 29.202 29.202 29.421 -0.218 25958 3936 1 12 . 1 1 53 53 GLN H H 53 7.986 7.986 8.041 -0.055 25958 3937 1 12 . 1 1 54 54 LYS N N 54 121.278 121.278 119.851 1.427 25958 3938 1 12 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.493 -0.266 25958 3939 1 12 . 1 1 54 54 LYS C C 54 176.812 176.812 175.567 1.245 25958 3940 1 12 . 1 1 54 54 LYS CA C 54 56.680 56.680 55.728 0.952 25958 3941 1 12 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.223 0.675 25958 3942 1 12 . 1 1 54 54 LYS H H 54 8.053 8.053 8.511 -0.458 25958 3943 1 12 . 1 1 55 55 GLN N N 55 120.539 120.539 119.013 1.526 25958 3944 1 12 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.648 -0.326 25958 3945 1 12 . 1 1 55 55 GLN C C 55 176.291 176.291 174.667 1.624 25958 3946 1 12 . 1 1 55 55 GLN CA C 55 56.199 56.199 54.981 1.218 25958 3947 1 12 . 1 1 55 55 GLN CB C 55 29.392 29.392 32.336 -2.944 25958 3948 1 12 . 1 1 55 55 GLN H H 55 8.249 8.249 8.172 0.077 25958 3949 1 12 . 1 1 56 56 THR N N 56 114.334 114.334 113.503 0.831 25958 3950 1 12 . 1 1 56 56 THR HA H 56 4.347 4.347 4.415 -0.068 25958 3951 1 12 . 1 1 56 56 THR C C 56 174.526 174.526 174.387 0.139 25958 3952 1 12 . 1 1 56 56 THR CA C 56 62.075 62.075 61.487 0.588 25958 3953 1 12 . 1 1 56 56 THR CB C 56 69.852 69.852 69.556 0.296 25958 3954 1 12 . 1 1 56 56 THR H H 56 8.063 8.063 8.204 -0.141 25958 3955 1 12 . 1 1 57 57 SER N N 57 117.856 117.856 116.357 1.499 25958 3956 1 12 . 1 1 57 57 SER HA H 57 4.502 4.502 4.093 0.409 25958 3957 1 12 . 1 1 57 57 SER C C 57 174.275 174.275 173.773 0.502 25958 3958 1 12 . 1 1 57 57 SER CA C 57 58.405 58.405 58.338 0.067 25958 3959 1 12 . 1 1 57 57 SER CB C 57 63.949 63.949 63.389 0.560 25958 3960 1 12 . 1 1 57 57 SER H H 57 8.163 8.163 8.259 -0.096 25958 3961 1 12 . 1 1 58 58 ILE N N 58 122.144 122.144 123.911 -1.767 25958 3962 1 12 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.297 -0.103 25958 3963 1 12 . 1 1 58 58 ILE C C 58 176.006 176.006 174.086 1.920 25958 3964 1 12 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.426 -0.151 25958 3965 1 12 . 1 1 58 58 ILE CB C 58 38.820 38.820 40.407 -1.587 25958 3966 1 12 . 1 1 58 58 ILE H H 58 8.049 8.049 8.152 -0.103 25958 3967 1 12 . 1 1 59 59 GLN N N 59 124.842 124.842 125.750 -0.908 25958 3968 1 12 . 1 1 59 59 GLN HA H 59 4.416 4.416 5.082 -0.666 25958 3969 1 12 . 1 1 59 59 GLN C C 59 174.974 174.974 174.024 0.950 25958 3970 1 12 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.479 0.366 25958 3971 1 12 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.192 -1.444 25958 3972 1 12 . 1 1 59 59 GLN H H 59 8.327 8.327 8.873 -0.546 25958 3973 1 13 . 1 1 2 2 ASP N N 2 121.276 121.276 122.419 -1.143 25958 3974 1 13 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.648 0.035 25958 3975 1 13 . 1 1 2 2 ASP C C 2 175.828 175.828 175.739 0.089 25958 3976 1 13 . 1 1 2 2 ASP CA C 2 54.685 54.685 54.613 0.072 25958 3977 1 13 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.442 0.532 25958 3978 1 13 . 1 1 2 2 ASP H H 2 8.555 8.555 8.462 0.093 25958 3979 1 13 . 1 1 3 3 ASP N N 3 119.296 119.296 119.100 0.196 25958 3980 1 13 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.567 0.013 25958 3981 1 13 . 1 1 3 3 ASP C C 3 175.884 175.884 176.302 -0.418 25958 3982 1 13 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.606 -0.487 25958 3983 1 13 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.506 0.799 25958 3984 1 13 . 1 1 3 3 ASP H H 3 8.004 8.004 7.744 0.260 25958 3985 1 13 . 1 1 4 4 GLU N N 4 120.922 120.922 119.601 1.321 25958 3986 1 13 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.116 0.019 25958 3987 1 13 . 1 1 4 4 GLU C C 4 174.979 174.979 175.997 -1.018 25958 3988 1 13 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.267 0.604 25958 3989 1 13 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.198 1.582 25958 3990 1 13 . 1 1 4 4 GLU H H 4 7.945 7.945 7.922 0.023 25958 3991 1 13 . 1 1 5 5 LEU N N 5 124.551 124.551 128.051 -3.500 25958 3992 1 13 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.233 0.306 25958 3993 1 13 . 1 1 5 5 LEU C C 5 175.305 175.305 175.439 -0.134 25958 3994 1 13 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.532 0.339 25958 3995 1 13 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.700 1.141 25958 3996 1 13 . 1 1 5 5 LEU H H 5 8.042 8.042 8.398 -0.356 25958 3997 1 13 . 1 1 6 6 LEU N N 6 127.945 127.945 126.571 1.374 25958 3998 1 13 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.348 0.164 25958 3999 1 13 . 1 1 6 6 LEU C C 6 174.919 174.919 176.108 -1.189 25958 4000 1 13 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.904 -0.387 25958 4001 1 13 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.013 2.576 25958 4002 1 13 . 1 1 6 6 LEU H H 6 8.799 8.799 7.883 0.916 25958 4003 1 13 . 1 1 7 7 TYR N N 7 117.176 117.176 120.204 -3.028 25958 4004 1 13 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.750 0.407 25958 4005 1 13 . 1 1 7 7 TYR C C 7 175.335 175.335 174.920 0.415 25958 4006 1 13 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.440 -0.008 25958 4007 1 13 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.725 1.219 25958 4008 1 13 . 1 1 7 7 TYR H H 7 8.583 8.583 8.353 0.230 25958 4009 1 13 . 1 1 8 8 LEU N N 8 128.094 128.094 128.123 -0.029 25958 4010 1 13 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.830 0.322 25958 4011 1 13 . 1 1 8 8 LEU C C 8 173.946 173.946 174.977 -1.031 25958 4012 1 13 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.080 -0.462 25958 4013 1 13 . 1 1 8 8 LEU CB C 8 45.412 45.412 41.547 3.865 25958 4014 1 13 . 1 1 8 8 LEU H H 8 9.308 9.308 8.545 0.763 25958 4015 1 13 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.723 -0.196 25958 4016 1 13 . 1 1 9 9 PRO C C 9 176.758 176.758 175.606 1.152 25958 4017 1 13 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.935 -0.846 25958 4018 1 13 . 1 1 9 9 PRO CB C 9 31.873 31.873 32.168 -0.295 25958 4019 1 13 . 1 1 10 10 VAL N N 10 124.047 124.047 122.678 1.369 25958 4020 1 13 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.401 -0.192 25958 4021 1 13 . 1 1 10 10 VAL C C 10 173.446 173.446 175.006 -1.560 25958 4022 1 13 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.166 0.452 25958 4023 1 13 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.239 0.430 25958 4024 1 13 . 1 1 10 10 VAL H H 10 9.193 9.193 8.177 1.016 25958 4025 1 13 . 1 1 11 11 ARG N N 11 127.433 127.433 123.426 4.007 25958 4026 1 13 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.758 -0.059 25958 4027 1 13 . 1 1 11 11 ARG C C 11 176.092 176.092 174.920 1.172 25958 4028 1 13 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.946 -0.579 25958 4029 1 13 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.730 -0.125 25958 4030 1 13 . 1 1 11 11 ARG H H 11 9.053 9.053 8.717 0.336 25958 4031 1 13 . 1 1 12 12 GLY N N 12 115.279 115.279 112.312 2.967 25958 4032 1 13 . 1 1 12 12 GLY C C 12 173.823 173.823 174.038 -0.215 25958 4033 1 13 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.431 -0.480 25958 4034 1 13 . 1 1 12 12 GLY H H 12 8.614 8.614 8.063 0.551 25958 4035 1 13 . 1 1 13 13 ARG N N 13 125.500 125.500 123.401 2.099 25958 4036 1 13 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.119 -0.267 25958 4037 1 13 . 1 1 13 13 ARG C C 13 177.793 177.793 177.674 0.119 25958 4038 1 13 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.269 0.935 25958 4039 1 13 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.116 -0.349 25958 4040 1 13 . 1 1 13 13 ARG H H 13 8.774 8.774 8.675 0.099 25958 4041 1 13 . 1 1 14 14 GLU N N 14 119.254 119.254 117.508 1.746 25958 4042 1 13 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.175 -0.093 25958 4043 1 13 . 1 1 14 14 GLU C C 14 179.794 179.794 178.177 1.617 25958 4044 1 13 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.887 0.475 25958 4045 1 13 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.842 0.117 25958 4046 1 13 . 1 1 14 14 GLU H H 14 8.888 8.888 8.910 -0.022 25958 4047 1 13 . 1 1 15 15 THR N N 15 117.699 117.699 115.655 2.044 25958 4048 1 13 . 1 1 15 15 THR HA H 15 3.784 3.784 4.054 -0.270 25958 4049 1 13 . 1 1 15 15 THR C C 15 175.457 175.457 176.536 -1.079 25958 4050 1 13 . 1 1 15 15 THR CA C 15 66.498 66.498 66.204 0.294 25958 4051 1 13 . 1 1 15 15 THR CB C 15 67.813 67.813 68.138 -0.325 25958 4052 1 13 . 1 1 15 15 THR H H 15 7.958 7.958 8.328 -0.370 25958 4053 1 13 . 1 1 16 16 TYR N N 16 122.365 122.365 122.733 -0.368 25958 4054 1 13 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.064 -0.322 25958 4055 1 13 . 1 1 16 16 TYR C C 16 175.895 175.895 177.293 -1.398 25958 4056 1 13 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.918 1.178 25958 4057 1 13 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.664 0.560 25958 4058 1 13 . 1 1 16 16 TYR H H 16 8.042 8.042 8.094 -0.052 25958 4059 1 13 . 1 1 17 17 GLU N N 17 116.940 116.940 119.567 -2.627 25958 4060 1 13 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.837 -0.010 25958 4061 1 13 . 1 1 17 17 GLU C C 17 179.448 179.448 178.971 0.477 25958 4062 1 13 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.527 0.352 25958 4063 1 13 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.587 -0.342 25958 4064 1 13 . 1 1 17 17 GLU H H 17 8.713 8.713 8.009 0.704 25958 4065 1 13 . 1 1 18 18 MET N N 18 118.965 118.965 119.364 -0.399 25958 4066 1 13 . 1 1 18 18 MET HA H 18 4.291 4.291 4.107 0.184 25958 4067 1 13 . 1 1 18 18 MET C C 18 178.050 178.050 178.182 -0.132 25958 4068 1 13 . 1 1 18 18 MET CA C 18 58.815 58.815 58.746 0.069 25958 4069 1 13 . 1 1 18 18 MET CB C 18 32.736 32.736 32.643 0.093 25958 4070 1 13 . 1 1 18 18 MET H H 18 7.505 7.505 8.453 -0.948 25958 4071 1 13 . 1 1 19 19 LEU N N 19 117.499 117.499 120.150 -2.651 25958 4072 1 13 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.958 -0.135 25958 4073 1 13 . 1 1 19 19 LEU C C 19 178.443 178.443 178.881 -0.438 25958 4074 1 13 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.059 -0.498 25958 4075 1 13 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.886 -0.131 25958 4076 1 13 . 1 1 19 19 LEU H H 19 8.151 8.151 7.661 0.490 25958 4077 1 13 . 1 1 20 20 LEU N N 20 120.873 120.873 119.399 1.474 25958 4078 1 13 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.699 0.065 25958 4079 1 13 . 1 1 20 20 LEU C C 20 178.475 178.475 178.521 -0.046 25958 4080 1 13 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.154 0.548 25958 4081 1 13 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.482 0.383 25958 4082 1 13 . 1 1 20 20 LEU H H 20 8.649 8.649 8.374 0.275 25958 4083 1 13 . 1 1 21 21 GLU N N 21 118.433 118.433 119.093 -0.660 25958 4084 1 13 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.938 0.123 25958 4085 1 13 . 1 1 21 21 GLU C C 21 179.572 179.572 179.355 0.217 25958 4086 1 13 . 1 1 21 21 GLU CA C 21 59.700 59.700 60.256 -0.556 25958 4087 1 13 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.431 -0.137 25958 4088 1 13 . 1 1 21 21 GLU H H 21 7.379 7.379 8.310 -0.931 25958 4089 1 13 . 1 1 22 22 ILE N N 22 116.978 116.978 119.543 -2.565 25958 4090 1 13 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.721 -0.006 25958 4091 1 13 . 1 1 22 22 ILE C C 22 177.909 177.909 178.135 -0.226 25958 4092 1 13 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.123 -0.603 25958 4093 1 13 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.801 0.111 25958 4094 1 13 . 1 1 22 22 ILE H H 22 7.649 7.649 8.099 -0.450 25958 4095 1 13 . 1 1 23 23 LYS N N 23 122.631 122.631 120.393 2.238 25958 4096 1 13 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.837 -0.129 25958 4097 1 13 . 1 1 23 23 LYS C C 23 177.322 177.322 178.635 -1.313 25958 4098 1 13 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.503 1.040 25958 4099 1 13 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.780 0.715 25958 4100 1 13 . 1 1 23 23 LYS H H 23 9.094 9.094 7.722 1.372 25958 4101 1 13 . 1 1 24 24 GLU N N 24 117.756 117.756 119.159 -1.403 25958 4102 1 13 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.011 0.230 25958 4103 1 13 . 1 1 24 24 GLU C C 24 177.755 177.755 178.998 -1.243 25958 4104 1 13 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.457 0.310 25958 4105 1 13 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.429 0.338 25958 4106 1 13 . 1 1 24 24 GLU H H 24 8.320 8.320 8.278 0.042 25958 4107 1 13 . 1 1 25 25 SER N N 25 114.010 114.010 116.690 -2.680 25958 4108 1 13 . 1 1 25 25 SER HA H 25 4.174 4.174 4.173 0.001 25958 4109 1 13 . 1 1 25 25 SER C C 25 175.840 175.840 176.632 -0.792 25958 4110 1 13 . 1 1 25 25 SER CA C 25 62.272 62.272 62.085 0.187 25958 4111 1 13 . 1 1 25 25 SER CB C 25 63.277 63.277 62.799 0.478 25958 4112 1 13 . 1 1 25 25 SER H H 25 7.425 7.425 7.838 -0.413 25958 4113 1 13 . 1 1 26 26 LEU N N 26 122.202 122.202 122.904 -0.702 25958 4114 1 13 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.170 -0.125 25958 4115 1 13 . 1 1 26 26 LEU C C 26 180.418 180.418 178.285 2.133 25958 4116 1 13 . 1 1 26 26 LEU CA C 26 57.999 57.999 56.776 1.223 25958 4117 1 13 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.137 1.573 25958 4118 1 13 . 1 1 26 26 LEU H H 26 7.625 7.625 7.800 -0.175 25958 4119 1 13 . 1 1 27 27 GLU N N 27 118.591 118.591 120.604 -2.013 25958 4120 1 13 . 1 1 27 27 GLU HA H 27 4.079 4.079 4.075 0.004 25958 4121 1 13 . 1 1 27 27 GLU C C 27 180.128 180.128 178.970 1.158 25958 4122 1 13 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.255 0.381 25958 4123 1 13 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.283 0.274 25958 4124 1 13 . 1 1 27 27 GLU H H 27 8.593 8.593 8.453 0.140 25958 4125 1 13 . 1 1 28 28 LEU N N 28 119.793 119.793 120.837 -1.044 25958 4126 1 13 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.216 -0.249 25958 4127 1 13 . 1 1 28 28 LEU C C 28 178.567 178.567 179.035 -0.468 25958 4128 1 13 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.767 -0.478 25958 4129 1 13 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.396 0.451 25958 4130 1 13 . 1 1 28 28 LEU H H 28 8.468 8.468 8.447 0.021 25958 4131 1 13 . 1 1 29 29 MET N N 29 115.804 115.804 119.081 -3.277 25958 4132 1 13 . 1 1 29 29 MET HA H 29 3.928 3.928 4.047 -0.119 25958 4133 1 13 . 1 1 29 29 MET C C 29 177.907 177.907 178.206 -0.299 25958 4134 1 13 . 1 1 29 29 MET CA C 29 58.463 58.463 59.031 -0.568 25958 4135 1 13 . 1 1 29 29 MET CB C 29 33.047 33.047 32.398 0.649 25958 4136 1 13 . 1 1 29 29 MET H H 29 7.279 7.279 8.272 -0.993 25958 4137 1 13 . 1 1 30 30 GLN N N 30 114.048 114.048 118.056 -4.008 25958 4138 1 13 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.123 -0.003 25958 4139 1 13 . 1 1 30 30 GLN C C 30 176.520 176.520 177.960 -1.440 25958 4140 1 13 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.283 -1.348 25958 4141 1 13 . 1 1 30 30 GLN CB C 30 28.342 28.342 29.143 -0.801 25958 4142 1 13 . 1 1 30 30 GLN H H 30 7.138 7.138 7.727 -0.589 25958 4143 1 13 . 1 1 31 31 TYR N N 31 117.000 117.000 119.294 -2.294 25958 4144 1 13 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.363 0.120 25958 4145 1 13 . 1 1 31 31 TYR C C 31 176.095 176.095 175.563 0.532 25958 4146 1 13 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.718 -2.293 25958 4147 1 13 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.786 -1.294 25958 4148 1 13 . 1 1 31 31 TYR H H 31 7.764 7.764 8.222 -0.458 25958 4149 1 13 . 1 1 32 32 LEU N N 32 120.517 120.517 119.519 0.998 25958 4150 1 13 . 1 1 32 32 LEU HA H 32 2.906 2.906 5.014 -2.108 25958 4151 1 13 . 1 1 32 32 LEU C C 32 174.141 174.141 174.665 -0.524 25958 4152 1 13 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.022 0.315 25958 4153 1 13 . 1 1 32 32 LEU CB C 32 42.269 42.269 44.022 -1.753 25958 4154 1 13 . 1 1 32 32 LEU H H 32 7.368 7.368 8.157 -0.789 25958 4155 1 13 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.258 0.289 25958 4156 1 13 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.464 2.822 25958 4157 1 13 . 1 1 35 35 HIS N N 35 124.090 124.090 121.068 3.022 25958 4158 1 13 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.255 0.217 25958 4159 1 13 . 1 1 35 35 HIS C C 35 177.836 177.836 177.285 0.551 25958 4160 1 13 . 1 1 35 35 HIS CA C 35 59.366 59.366 59.378 -0.012 25958 4161 1 13 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.197 0.315 25958 4162 1 13 . 1 1 35 35 HIS H H 35 8.869 8.869 8.569 0.300 25958 4163 1 13 . 1 1 36 36 THR N N 36 119.182 119.182 113.752 5.430 25958 4164 1 13 . 1 1 36 36 THR HA H 36 3.946 3.946 3.708 0.238 25958 4165 1 13 . 1 1 36 36 THR C C 36 176.029 176.029 176.960 -0.931 25958 4166 1 13 . 1 1 36 36 THR CA C 36 66.606 66.606 66.127 0.479 25958 4167 1 13 . 1 1 36 36 THR CB C 36 68.598 68.598 68.390 0.208 25958 4168 1 13 . 1 1 36 36 THR H H 36 7.138 7.138 8.218 -1.080 25958 4169 1 13 . 1 1 37 37 ILE N N 37 122.903 122.903 122.371 0.532 25958 4170 1 13 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.856 -0.294 25958 4171 1 13 . 1 1 37 37 ILE C C 37 177.685 177.685 177.936 -0.251 25958 4172 1 13 . 1 1 37 37 ILE CA C 37 65.667 65.667 62.213 3.454 25958 4173 1 13 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.402 1.802 25958 4174 1 13 . 1 1 37 37 ILE H H 37 7.193 7.193 7.429 -0.236 25958 4175 1 13 . 1 1 38 38 GLU N N 38 118.719 118.719 121.425 -2.706 25958 4176 1 13 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.969 0.080 25958 4177 1 13 . 1 1 38 38 GLU C C 38 179.575 179.575 178.953 0.622 25958 4178 1 13 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.318 -0.573 25958 4179 1 13 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.659 -0.218 25958 4180 1 13 . 1 1 38 38 GLU H H 38 8.578 8.578 8.849 -0.271 25958 4181 1 13 . 1 1 39 39 THR N N 39 116.297 116.297 116.763 -0.466 25958 4182 1 13 . 1 1 39 39 THR HA H 39 3.936 3.936 4.026 -0.090 25958 4183 1 13 . 1 1 39 39 THR C C 39 176.203 176.203 176.168 0.035 25958 4184 1 13 . 1 1 39 39 THR CA C 39 66.989 66.989 67.082 -0.093 25958 4185 1 13 . 1 1 39 39 THR CB C 39 68.845 68.845 68.498 0.348 25958 4186 1 13 . 1 1 39 39 THR H H 39 8.124 8.124 8.244 -0.120 25958 4187 1 13 . 1 1 40 40 TYR N N 40 123.453 123.453 123.137 0.316 25958 4188 1 13 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.024 0.199 25958 4189 1 13 . 1 1 40 40 TYR C C 40 178.058 178.058 177.267 0.791 25958 4190 1 13 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.717 0.185 25958 4191 1 13 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.662 -0.079 25958 4192 1 13 . 1 1 40 40 TYR H H 40 7.730 7.730 8.248 -0.518 25958 4193 1 13 . 1 1 41 41 ARG N N 41 119.944 119.944 118.704 1.240 25958 4194 1 13 . 1 1 41 41 ARG HA H 41 3.802 3.802 4.019 -0.217 25958 4195 1 13 . 1 1 41 41 ARG C C 41 179.552 179.552 178.858 0.694 25958 4196 1 13 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.505 0.982 25958 4197 1 13 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.646 0.432 25958 4198 1 13 . 1 1 41 41 ARG H H 41 8.635 8.635 8.464 0.171 25958 4199 1 13 . 1 1 42 42 GLN N N 42 119.455 119.455 119.072 0.383 25958 4200 1 13 . 1 1 42 42 GLN HA H 42 4.083 4.083 4.030 0.053 25958 4201 1 13 . 1 1 42 42 GLN C C 42 178.700 178.700 178.757 -0.057 25958 4202 1 13 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.217 -0.389 25958 4203 1 13 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.703 -0.351 25958 4204 1 13 . 1 1 42 42 GLN H H 42 8.225 8.225 8.023 0.202 25958 4205 1 13 . 1 1 43 43 GLN N N 43 118.905 118.905 118.507 0.398 25958 4206 1 13 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.865 0.223 25958 4207 1 13 . 1 1 43 43 GLN C C 43 178.664 178.664 178.361 0.303 25958 4208 1 13 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.959 -0.612 25958 4209 1 13 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.333 -0.154 25958 4210 1 13 . 1 1 43 43 GLN H H 43 7.894 7.894 8.497 -0.603 25958 4211 1 13 . 1 1 44 44 GLN N N 44 117.762 117.762 119.109 -1.347 25958 4212 1 13 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.812 0.135 25958 4213 1 13 . 1 1 44 44 GLN C C 44 178.320 178.320 178.238 0.082 25958 4214 1 13 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.843 -1.558 25958 4215 1 13 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.500 -0.339 25958 4216 1 13 . 1 1 44 44 GLN H H 44 8.034 8.034 8.106 -0.072 25958 4217 1 13 . 1 1 45 45 GLN N N 45 119.382 119.382 119.926 -0.544 25958 4218 1 13 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.101 0.090 25958 4219 1 13 . 1 1 45 45 GLN C C 45 177.742 177.742 178.732 -0.990 25958 4220 1 13 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.892 -0.722 25958 4221 1 13 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.575 -0.082 25958 4222 1 13 . 1 1 45 45 GLN H H 45 7.997 7.997 7.868 0.129 25958 4223 1 13 . 1 1 46 46 GLN N N 46 118.664 118.664 118.562 0.102 25958 4224 1 13 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.991 0.205 25958 4225 1 13 . 1 1 46 46 GLN C C 46 177.540 177.540 178.562 -1.022 25958 4226 1 13 . 1 1 46 46 GLN CA C 46 57.685 57.685 59.250 -1.565 25958 4227 1 13 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.185 0.558 25958 4228 1 13 . 1 1 46 46 GLN H H 46 7.870 7.870 8.527 -0.657 25958 4229 1 13 . 1 1 47 47 GLN N N 47 118.622 118.622 117.394 1.228 25958 4230 1 13 . 1 1 47 47 GLN C C 47 177.073 177.073 178.351 -1.278 25958 4231 1 13 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.602 -1.274 25958 4232 1 13 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.340 0.585 25958 4233 1 13 . 1 1 47 47 GLN H H 47 8.043 8.043 7.670 0.373 25958 4234 1 13 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.436 0.137 25958 4235 1 13 . 1 1 48 48 HIS C C 48 176.277 176.277 177.514 -1.237 25958 4236 1 13 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.610 -0.697 25958 4237 1 13 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.028 0.191 25958 4238 1 13 . 1 1 49 49 GLN N N 49 119.554 119.554 120.030 -0.476 25958 4239 1 13 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.943 0.272 25958 4240 1 13 . 1 1 49 49 GLN C C 49 176.896 176.896 178.403 -1.507 25958 4241 1 13 . 1 1 49 49 GLN CA C 49 57.545 57.545 59.531 -1.986 25958 4242 1 13 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.654 0.220 25958 4243 1 13 . 1 1 49 49 GLN H H 49 8.117 8.117 8.736 -0.619 25958 4244 1 13 . 1 1 50 50 HIS N N 50 118.665 118.665 117.213 1.452 25958 4245 1 13 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.323 0.225 25958 4246 1 13 . 1 1 50 50 HIS C C 50 176.265 176.265 177.351 -1.086 25958 4247 1 13 . 1 1 50 50 HIS CA C 50 57.300 57.300 59.095 -1.795 25958 4248 1 13 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.246 -0.057 25958 4249 1 13 . 1 1 50 50 HIS H H 50 8.138 8.138 8.429 -0.291 25958 4250 1 13 . 1 1 51 51 LEU N N 51 121.208 121.208 117.915 3.293 25958 4251 1 13 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.278 -0.108 25958 4252 1 13 . 1 1 51 51 LEU C C 51 177.627 177.627 178.937 -1.310 25958 4253 1 13 . 1 1 51 51 LEU CA C 51 56.203 56.203 55.983 0.220 25958 4254 1 13 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.650 -0.506 25958 4255 1 13 . 1 1 51 51 LEU H H 51 7.809 7.809 7.865 -0.056 25958 4256 1 13 . 1 1 52 52 LEU N N 52 120.700 120.700 120.711 -0.011 25958 4257 1 13 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.170 0.008 25958 4258 1 13 . 1 1 52 52 LEU C C 52 177.799 177.799 178.918 -1.119 25958 4259 1 13 . 1 1 52 52 LEU CA C 52 55.993 55.993 57.551 -1.558 25958 4260 1 13 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.395 -0.277 25958 4261 1 13 . 1 1 52 52 LEU H H 52 7.924 7.924 8.203 -0.279 25958 4262 1 13 . 1 1 53 53 GLN N N 53 119.631 119.631 118.270 1.361 25958 4263 1 13 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.216 -0.001 25958 4264 1 13 . 1 1 53 53 GLN C C 53 176.327 176.327 174.899 1.428 25958 4265 1 13 . 1 1 53 53 GLN CA C 53 56.492 56.492 55.226 1.266 25958 4266 1 13 . 1 1 53 53 GLN CB C 53 29.202 29.202 27.474 1.728 25958 4267 1 13 . 1 1 53 53 GLN H H 53 7.986 7.986 8.039 -0.053 25958 4268 1 13 . 1 1 54 54 LYS N N 54 121.278 121.278 122.375 -1.097 25958 4269 1 13 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.062 0.165 25958 4270 1 13 . 1 1 54 54 LYS C C 54 176.812 176.812 176.766 0.046 25958 4271 1 13 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.718 -0.038 25958 4272 1 13 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.234 0.664 25958 4273 1 13 . 1 1 54 54 LYS H H 54 8.053 8.053 7.676 0.377 25958 4274 1 13 . 1 1 55 55 GLN N N 55 120.539 120.539 125.054 -4.515 25958 4275 1 13 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.105 0.217 25958 4276 1 13 . 1 1 55 55 GLN C C 55 176.291 176.291 175.204 1.087 25958 4277 1 13 . 1 1 55 55 GLN CA C 55 56.199 56.199 57.140 -0.941 25958 4278 1 13 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.329 0.063 25958 4279 1 13 . 1 1 55 55 GLN H H 55 8.249 8.249 8.496 -0.247 25958 4280 1 13 . 1 1 56 56 THR N N 56 114.334 114.334 118.886 -4.552 25958 4281 1 13 . 1 1 56 56 THR HA H 56 4.347 4.347 4.540 -0.193 25958 4282 1 13 . 1 1 56 56 THR C C 56 174.526 174.526 173.447 1.079 25958 4283 1 13 . 1 1 56 56 THR CA C 56 62.075 62.075 61.643 0.432 25958 4284 1 13 . 1 1 56 56 THR CB C 56 69.852 69.852 70.749 -0.897 25958 4285 1 13 . 1 1 56 56 THR H H 56 8.063 8.063 8.560 -0.497 25958 4286 1 13 . 1 1 57 57 SER N N 57 117.856 117.856 117.112 0.744 25958 4287 1 13 . 1 1 57 57 SER HA H 57 4.502 4.502 5.002 -0.500 25958 4288 1 13 . 1 1 57 57 SER C C 57 174.275 174.275 173.156 1.119 25958 4289 1 13 . 1 1 57 57 SER CA C 57 58.405 58.405 57.595 0.810 25958 4290 1 13 . 1 1 57 57 SER CB C 57 63.949 63.949 64.034 -0.085 25958 4291 1 13 . 1 1 57 57 SER H H 57 8.163 8.163 8.594 -0.431 25958 4292 1 13 . 1 1 58 58 ILE N N 58 122.144 122.144 120.563 1.581 25958 4293 1 13 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.405 -0.211 25958 4294 1 13 . 1 1 58 58 ILE C C 58 176.006 176.006 173.958 2.048 25958 4295 1 13 . 1 1 58 58 ILE CA C 58 61.275 61.275 60.905 0.370 25958 4296 1 13 . 1 1 58 58 ILE CB C 58 38.820 38.820 40.418 -1.598 25958 4297 1 13 . 1 1 58 58 ILE H H 58 8.049 8.049 8.641 -0.592 25958 4298 1 13 . 1 1 59 59 GLN N N 59 124.842 124.842 123.446 1.396 25958 4299 1 13 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.711 -0.295 25958 4300 1 13 . 1 1 59 59 GLN C C 59 174.974 174.974 174.331 0.643 25958 4301 1 13 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.112 0.733 25958 4302 1 13 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.102 -1.354 25958 4303 1 13 . 1 1 59 59 GLN H H 59 8.327 8.327 8.465 -0.138 25958 4304 1 14 . 1 1 2 2 ASP N N 2 121.276 121.276 121.728 -0.452 25958 4305 1 14 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.541 0.142 25958 4306 1 14 . 1 1 2 2 ASP C C 2 175.828 175.828 176.378 -0.550 25958 4307 1 14 . 1 1 2 2 ASP CA C 2 54.685 54.685 54.696 -0.011 25958 4308 1 14 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.303 -0.329 25958 4309 1 14 . 1 1 2 2 ASP H H 2 8.555 8.555 8.472 0.083 25958 4310 1 14 . 1 1 3 3 ASP N N 3 119.296 119.296 118.419 0.877 25958 4311 1 14 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.493 0.087 25958 4312 1 14 . 1 1 3 3 ASP C C 3 175.884 175.884 175.871 0.013 25958 4313 1 14 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.583 -0.464 25958 4314 1 14 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.800 0.505 25958 4315 1 14 . 1 1 3 3 ASP H H 3 8.004 8.004 8.270 -0.266 25958 4316 1 14 . 1 1 4 4 GLU N N 4 120.922 120.922 120.577 0.345 25958 4317 1 14 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.326 -0.191 25958 4318 1 14 . 1 1 4 4 GLU C C 4 174.979 174.979 175.805 -0.826 25958 4319 1 14 . 1 1 4 4 GLU CA C 4 56.871 56.871 55.880 0.991 25958 4320 1 14 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.439 1.341 25958 4321 1 14 . 1 1 4 4 GLU H H 4 7.945 7.945 7.926 0.019 25958 4322 1 14 . 1 1 5 5 LEU N N 5 124.551 124.551 127.776 -3.225 25958 4323 1 14 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.250 0.289 25958 4324 1 14 . 1 1 5 5 LEU C C 5 175.305 175.305 176.111 -0.806 25958 4325 1 14 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.264 -0.393 25958 4326 1 14 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.859 0.982 25958 4327 1 14 . 1 1 5 5 LEU H H 5 8.042 8.042 8.390 -0.348 25958 4328 1 14 . 1 1 6 6 LEU N N 6 127.945 127.945 129.642 -1.697 25958 4329 1 14 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.554 -0.042 25958 4330 1 14 . 1 1 6 6 LEU C C 6 174.919 174.919 176.077 -1.158 25958 4331 1 14 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.965 -0.448 25958 4332 1 14 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.736 1.853 25958 4333 1 14 . 1 1 6 6 LEU H H 6 8.799 8.799 8.465 0.334 25958 4334 1 14 . 1 1 7 7 TYR N N 7 117.176 117.176 121.922 -4.746 25958 4335 1 14 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.787 0.370 25958 4336 1 14 . 1 1 7 7 TYR C C 7 175.335 175.335 174.839 0.496 25958 4337 1 14 . 1 1 7 7 TYR CA C 7 57.432 57.432 56.945 0.487 25958 4338 1 14 . 1 1 7 7 TYR CB C 7 40.944 40.944 41.637 -0.693 25958 4339 1 14 . 1 1 7 7 TYR H H 7 8.583 8.583 8.387 0.196 25958 4340 1 14 . 1 1 8 8 LEU N N 8 128.094 128.094 127.338 0.756 25958 4341 1 14 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.887 0.265 25958 4342 1 14 . 1 1 8 8 LEU C C 8 173.946 173.946 174.468 -0.522 25958 4343 1 14 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.248 -0.630 25958 4344 1 14 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.484 1.928 25958 4345 1 14 . 1 1 8 8 LEU H H 8 9.308 9.308 8.552 0.756 25958 4346 1 14 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.801 -0.274 25958 4347 1 14 . 1 1 9 9 PRO C C 9 176.758 176.758 175.871 0.887 25958 4348 1 14 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.916 -0.826 25958 4349 1 14 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.750 0.122 25958 4350 1 14 . 1 1 10 10 VAL N N 10 124.047 124.047 122.860 1.187 25958 4351 1 14 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.454 -0.245 25958 4352 1 14 . 1 1 10 10 VAL C C 10 173.446 173.446 174.653 -1.207 25958 4353 1 14 . 1 1 10 10 VAL CA C 10 61.618 61.618 60.932 0.686 25958 4354 1 14 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.211 0.458 25958 4355 1 14 . 1 1 10 10 VAL H H 10 9.193 9.193 8.181 1.012 25958 4356 1 14 . 1 1 11 11 ARG N N 11 127.433 127.433 122.953 4.480 25958 4357 1 14 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.756 -0.057 25958 4358 1 14 . 1 1 11 11 ARG C C 11 176.092 176.092 174.722 1.370 25958 4359 1 14 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.901 -0.534 25958 4360 1 14 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.696 -0.091 25958 4361 1 14 . 1 1 11 11 ARG H H 11 9.053 9.053 8.660 0.393 25958 4362 1 14 . 1 1 12 12 GLY N N 12 115.279 115.279 112.976 2.303 25958 4363 1 14 . 1 1 12 12 GLY C C 12 173.823 173.823 173.652 0.171 25958 4364 1 14 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.593 -0.642 25958 4365 1 14 . 1 1 12 12 GLY H H 12 8.614 8.614 8.204 0.410 25958 4366 1 14 . 1 1 13 13 ARG N N 13 125.500 125.500 124.618 0.882 25958 4367 1 14 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.088 -0.236 25958 4368 1 14 . 1 1 13 13 ARG C C 13 177.793 177.793 177.306 0.487 25958 4369 1 14 . 1 1 13 13 ARG CA C 13 59.204 59.204 59.081 0.123 25958 4370 1 14 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.443 -0.676 25958 4371 1 14 . 1 1 13 13 ARG H H 13 8.774 8.774 8.751 0.023 25958 4372 1 14 . 1 1 14 14 GLU N N 14 119.254 119.254 117.470 1.784 25958 4373 1 14 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.263 -0.181 25958 4374 1 14 . 1 1 14 14 GLU C C 14 179.794 179.794 178.553 1.241 25958 4375 1 14 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.760 0.602 25958 4376 1 14 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.123 0.836 25958 4377 1 14 . 1 1 14 14 GLU H H 14 8.888 8.888 8.939 -0.051 25958 4378 1 14 . 1 1 15 15 THR N N 15 117.699 117.699 116.174 1.525 25958 4379 1 14 . 1 1 15 15 THR HA H 15 3.784 3.784 4.035 -0.251 25958 4380 1 14 . 1 1 15 15 THR C C 15 175.457 175.457 176.440 -0.983 25958 4381 1 14 . 1 1 15 15 THR CA C 15 66.498 66.498 65.860 0.638 25958 4382 1 14 . 1 1 15 15 THR CB C 15 67.813 67.813 68.430 -0.617 25958 4383 1 14 . 1 1 15 15 THR H H 15 7.958 7.958 8.011 -0.053 25958 4384 1 14 . 1 1 16 16 TYR N N 16 122.365 122.365 123.249 -0.884 25958 4385 1 14 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.018 -0.276 25958 4386 1 14 . 1 1 16 16 TYR C C 16 175.895 175.895 177.259 -1.364 25958 4387 1 14 . 1 1 16 16 TYR CA C 16 63.096 63.096 62.151 0.945 25958 4388 1 14 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.599 0.625 25958 4389 1 14 . 1 1 16 16 TYR H H 16 8.042 8.042 8.536 -0.494 25958 4390 1 14 . 1 1 17 17 GLU N N 17 116.940 116.940 118.294 -1.354 25958 4391 1 14 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.995 -0.168 25958 4392 1 14 . 1 1 17 17 GLU C C 17 179.448 179.448 179.247 0.201 25958 4393 1 14 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.076 0.803 25958 4394 1 14 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.074 0.171 25958 4395 1 14 . 1 1 17 17 GLU H H 17 8.713 8.713 8.035 0.678 25958 4396 1 14 . 1 1 18 18 MET N N 18 118.965 118.965 119.850 -0.885 25958 4397 1 14 . 1 1 18 18 MET HA H 18 4.291 4.291 4.187 0.104 25958 4398 1 14 . 1 1 18 18 MET C C 18 178.050 178.050 178.457 -0.407 25958 4399 1 14 . 1 1 18 18 MET CA C 18 58.815 58.815 58.022 0.793 25958 4400 1 14 . 1 1 18 18 MET CB C 18 32.736 32.736 32.381 0.355 25958 4401 1 14 . 1 1 18 18 MET H H 18 7.505 7.505 8.125 -0.620 25958 4402 1 14 . 1 1 19 19 LEU N N 19 117.499 117.499 120.683 -3.184 25958 4403 1 14 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.967 -0.144 25958 4404 1 14 . 1 1 19 19 LEU C C 19 178.443 178.443 179.030 -0.587 25958 4405 1 14 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.666 -1.105 25958 4406 1 14 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.606 0.149 25958 4407 1 14 . 1 1 19 19 LEU H H 19 8.151 8.151 8.355 -0.204 25958 4408 1 14 . 1 1 20 20 LEU N N 20 120.873 120.873 119.347 1.526 25958 4409 1 14 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.692 0.072 25958 4410 1 14 . 1 1 20 20 LEU C C 20 178.475 178.475 178.294 0.181 25958 4411 1 14 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.223 0.479 25958 4412 1 14 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.576 0.289 25958 4413 1 14 . 1 1 20 20 LEU H H 20 8.649 8.649 8.257 0.392 25958 4414 1 14 . 1 1 21 21 GLU N N 21 118.433 118.433 120.002 -1.569 25958 4415 1 14 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.960 0.101 25958 4416 1 14 . 1 1 21 21 GLU C C 21 179.572 179.572 179.251 0.321 25958 4417 1 14 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.704 -0.004 25958 4418 1 14 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.623 -0.329 25958 4419 1 14 . 1 1 21 21 GLU H H 21 7.379 7.379 7.676 -0.297 25958 4420 1 14 . 1 1 22 22 ILE N N 22 116.978 116.978 119.458 -2.480 25958 4421 1 14 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.843 -0.128 25958 4422 1 14 . 1 1 22 22 ILE C C 22 177.909 177.909 178.570 -0.661 25958 4423 1 14 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.504 0.016 25958 4424 1 14 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.970 -0.058 25958 4425 1 14 . 1 1 22 22 ILE H H 22 7.649 7.649 7.807 -0.158 25958 4426 1 14 . 1 1 23 23 LYS N N 23 122.631 122.631 122.126 0.505 25958 4427 1 14 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.799 -0.091 25958 4428 1 14 . 1 1 23 23 LYS C C 23 177.322 177.322 178.389 -1.067 25958 4429 1 14 . 1 1 23 23 LYS CA C 23 60.543 60.543 60.412 0.131 25958 4430 1 14 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.237 0.258 25958 4431 1 14 . 1 1 23 23 LYS H H 23 9.094 9.094 8.437 0.657 25958 4432 1 14 . 1 1 24 24 GLU N N 24 117.756 117.756 118.364 -0.608 25958 4433 1 14 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.947 0.294 25958 4434 1 14 . 1 1 24 24 GLU C C 24 177.755 177.755 179.182 -1.427 25958 4435 1 14 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.354 0.413 25958 4436 1 14 . 1 1 24 24 GLU CB C 24 29.767 29.767 28.988 0.779 25958 4437 1 14 . 1 1 24 24 GLU H H 24 8.320 8.320 8.049 0.271 25958 4438 1 14 . 1 1 25 25 SER N N 25 114.010 114.010 116.257 -2.247 25958 4439 1 14 . 1 1 25 25 SER HA H 25 4.174 4.174 4.136 0.038 25958 4440 1 14 . 1 1 25 25 SER C C 25 175.840 175.840 176.787 -0.947 25958 4441 1 14 . 1 1 25 25 SER CA C 25 62.272 62.272 61.898 0.374 25958 4442 1 14 . 1 1 25 25 SER CB C 25 63.277 63.277 62.649 0.628 25958 4443 1 14 . 1 1 25 25 SER H H 25 7.425 7.425 7.760 -0.335 25958 4444 1 14 . 1 1 26 26 LEU N N 26 122.202 122.202 123.097 -0.895 25958 4445 1 14 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.099 -0.054 25958 4446 1 14 . 1 1 26 26 LEU C C 26 180.418 180.418 178.743 1.675 25958 4447 1 14 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.539 0.460 25958 4448 1 14 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.833 0.877 25958 4449 1 14 . 1 1 26 26 LEU H H 26 7.625 7.625 7.688 -0.063 25958 4450 1 14 . 1 1 27 27 GLU N N 27 118.591 118.591 119.764 -1.173 25958 4451 1 14 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.936 0.143 25958 4452 1 14 . 1 1 27 27 GLU C C 27 180.128 180.128 178.846 1.282 25958 4453 1 14 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.607 0.029 25958 4454 1 14 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.688 -0.131 25958 4455 1 14 . 1 1 27 27 GLU H H 27 8.593 8.593 8.314 0.279 25958 4456 1 14 . 1 1 28 28 LEU N N 28 119.793 119.793 119.836 -0.043 25958 4457 1 14 . 1 1 28 28 LEU HA H 28 3.967 3.967 3.933 0.034 25958 4458 1 14 . 1 1 28 28 LEU C C 28 178.567 178.567 179.108 -0.541 25958 4459 1 14 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.047 -0.758 25958 4460 1 14 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.331 0.515 25958 4461 1 14 . 1 1 28 28 LEU H H 28 8.468 8.468 8.213 0.255 25958 4462 1 14 . 1 1 29 29 MET N N 29 115.804 115.804 119.201 -3.397 25958 4463 1 14 . 1 1 29 29 MET HA H 29 3.928 3.928 4.021 -0.093 25958 4464 1 14 . 1 1 29 29 MET C C 29 177.907 177.907 178.323 -0.416 25958 4465 1 14 . 1 1 29 29 MET CA C 29 58.463 58.463 58.960 -0.497 25958 4466 1 14 . 1 1 29 29 MET CB C 29 33.047 33.047 32.099 0.948 25958 4467 1 14 . 1 1 29 29 MET H H 29 7.279 7.279 7.776 -0.497 25958 4468 1 14 . 1 1 30 30 GLN N N 30 114.048 114.048 117.707 -3.659 25958 4469 1 14 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.127 -0.007 25958 4470 1 14 . 1 1 30 30 GLN C C 30 176.520 176.520 178.233 -1.713 25958 4471 1 14 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.597 -1.663 25958 4472 1 14 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.822 -0.480 25958 4473 1 14 . 1 1 30 30 GLN H H 30 7.138 7.138 7.728 -0.590 25958 4474 1 14 . 1 1 31 31 TYR N N 31 117.000 117.000 116.687 0.313 25958 4475 1 14 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.420 0.063 25958 4476 1 14 . 1 1 31 31 TYR C C 31 176.095 176.095 176.011 0.084 25958 4477 1 14 . 1 1 31 31 TYR CA C 31 58.425 58.425 58.722 -0.298 25958 4478 1 14 . 1 1 31 31 TYR CB C 31 38.492 38.492 40.092 -1.600 25958 4479 1 14 . 1 1 31 31 TYR H H 31 7.764 7.764 7.705 0.059 25958 4480 1 14 . 1 1 32 32 LEU N N 32 120.517 120.517 120.658 -0.141 25958 4481 1 14 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.941 -2.035 25958 4482 1 14 . 1 1 32 32 LEU C C 32 174.141 174.141 174.973 -0.832 25958 4483 1 14 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.790 0.547 25958 4484 1 14 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.479 -1.210 25958 4485 1 14 . 1 1 32 32 LEU H H 32 7.368 7.368 7.896 -0.528 25958 4486 1 14 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.082 0.465 25958 4487 1 14 . 1 1 34 34 GLN CB C 34 32.286 32.286 28.842 3.444 25958 4488 1 14 . 1 1 35 35 HIS N N 35 124.090 124.090 121.954 2.136 25958 4489 1 14 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.237 0.235 25958 4490 1 14 . 1 1 35 35 HIS C C 35 177.836 177.836 177.464 0.372 25958 4491 1 14 . 1 1 35 35 HIS CA C 35 59.366 59.366 59.667 -0.301 25958 4492 1 14 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.721 -0.209 25958 4493 1 14 . 1 1 35 35 HIS H H 35 8.869 8.869 9.139 -0.270 25958 4494 1 14 . 1 1 36 36 THR N N 36 119.182 119.182 116.489 2.693 25958 4495 1 14 . 1 1 36 36 THR HA H 36 3.946 3.946 4.004 -0.058 25958 4496 1 14 . 1 1 36 36 THR C C 36 176.029 176.029 176.600 -0.571 25958 4497 1 14 . 1 1 36 36 THR CA C 36 66.606 66.606 66.590 0.016 25958 4498 1 14 . 1 1 36 36 THR CB C 36 68.598 68.598 68.532 0.066 25958 4499 1 14 . 1 1 36 36 THR H H 36 7.138 7.138 8.416 -1.278 25958 4500 1 14 . 1 1 37 37 ILE N N 37 122.903 122.903 121.804 1.099 25958 4501 1 14 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.706 -0.144 25958 4502 1 14 . 1 1 37 37 ILE C C 37 177.685 177.685 177.682 0.003 25958 4503 1 14 . 1 1 37 37 ILE CA C 37 65.667 65.667 65.277 0.390 25958 4504 1 14 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.745 0.459 25958 4505 1 14 . 1 1 37 37 ILE H H 37 7.193 7.193 7.801 -0.608 25958 4506 1 14 . 1 1 38 38 GLU N N 38 118.719 118.719 119.798 -1.079 25958 4507 1 14 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.952 0.097 25958 4508 1 14 . 1 1 38 38 GLU C C 38 179.575 179.575 179.084 0.491 25958 4509 1 14 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.166 -0.421 25958 4510 1 14 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.418 0.024 25958 4511 1 14 . 1 1 38 38 GLU H H 38 8.578 8.578 7.938 0.640 25958 4512 1 14 . 1 1 39 39 THR N N 39 116.297 116.297 116.479 -0.182 25958 4513 1 14 . 1 1 39 39 THR HA H 39 3.936 3.936 3.927 0.009 25958 4514 1 14 . 1 1 39 39 THR C C 39 176.203 176.203 176.263 -0.060 25958 4515 1 14 . 1 1 39 39 THR CA C 39 66.989 66.989 67.196 -0.207 25958 4516 1 14 . 1 1 39 39 THR CB C 39 68.845 68.845 68.993 -0.148 25958 4517 1 14 . 1 1 39 39 THR H H 39 8.124 8.124 8.262 -0.138 25958 4518 1 14 . 1 1 40 40 TYR N N 40 123.453 123.453 122.964 0.489 25958 4519 1 14 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.113 0.110 25958 4520 1 14 . 1 1 40 40 TYR C C 40 178.058 178.058 177.094 0.964 25958 4521 1 14 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.898 0.004 25958 4522 1 14 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.465 0.118 25958 4523 1 14 . 1 1 40 40 TYR H H 40 7.730 7.730 8.322 -0.592 25958 4524 1 14 . 1 1 41 41 ARG N N 41 119.944 119.944 119.167 0.777 25958 4525 1 14 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.874 -0.072 25958 4526 1 14 . 1 1 41 41 ARG C C 41 179.552 179.552 178.487 1.065 25958 4527 1 14 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.336 1.151 25958 4528 1 14 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.618 0.460 25958 4529 1 14 . 1 1 41 41 ARG H H 41 8.635 8.635 8.631 0.004 25958 4530 1 14 . 1 1 42 42 GLN N N 42 119.455 119.455 118.627 0.828 25958 4531 1 14 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.971 0.112 25958 4532 1 14 . 1 1 42 42 GLN C C 42 178.700 178.700 178.334 0.366 25958 4533 1 14 . 1 1 42 42 GLN CA C 42 58.828 58.828 58.979 -0.151 25958 4534 1 14 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.542 -0.190 25958 4535 1 14 . 1 1 42 42 GLN H H 42 8.225 8.225 7.750 0.475 25958 4536 1 14 . 1 1 43 43 GLN N N 43 118.905 118.905 119.553 -0.648 25958 4537 1 14 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.932 0.156 25958 4538 1 14 . 1 1 43 43 GLN C C 43 178.664 178.664 178.413 0.251 25958 4539 1 14 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.817 -0.470 25958 4540 1 14 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.227 -0.048 25958 4541 1 14 . 1 1 43 43 GLN H H 43 7.894 7.894 8.233 -0.339 25958 4542 1 14 . 1 1 44 44 GLN N N 44 117.762 117.762 118.493 -0.731 25958 4543 1 14 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.768 0.179 25958 4544 1 14 . 1 1 44 44 GLN C C 44 178.320 178.320 178.738 -0.418 25958 4545 1 14 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.823 -1.538 25958 4546 1 14 . 1 1 44 44 GLN CB C 44 28.161 28.161 27.982 0.179 25958 4547 1 14 . 1 1 44 44 GLN H H 44 8.034 8.034 8.235 -0.201 25958 4548 1 14 . 1 1 45 45 GLN N N 45 119.382 119.382 117.963 1.419 25958 4549 1 14 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.949 0.242 25958 4550 1 14 . 1 1 45 45 GLN C C 45 177.742 177.742 178.545 -0.803 25958 4551 1 14 . 1 1 45 45 GLN CA C 45 58.171 58.171 59.005 -0.834 25958 4552 1 14 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.203 0.290 25958 4553 1 14 . 1 1 45 45 GLN H H 45 7.997 7.997 7.642 0.355 25958 4554 1 14 . 1 1 46 46 GLN N N 46 118.664 118.664 118.768 -0.104 25958 4555 1 14 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.039 0.157 25958 4556 1 14 . 1 1 46 46 GLN C C 46 177.540 177.540 178.531 -0.991 25958 4557 1 14 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.691 -1.006 25958 4558 1 14 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.631 0.112 25958 4559 1 14 . 1 1 46 46 GLN H H 46 7.870 7.870 7.565 0.305 25958 4560 1 14 . 1 1 47 47 GLN N N 47 118.622 118.622 118.905 -0.283 25958 4561 1 14 . 1 1 47 47 GLN C C 47 177.073 177.073 177.278 -0.205 25958 4562 1 14 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.712 -1.385 25958 4563 1 14 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.568 0.357 25958 4564 1 14 . 1 1 47 47 GLN H H 47 8.043 8.043 8.472 -0.429 25958 4565 1 14 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.320 0.253 25958 4566 1 14 . 1 1 48 48 HIS C C 48 176.277 176.277 178.305 -2.028 25958 4567 1 14 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.388 -0.475 25958 4568 1 14 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.136 0.083 25958 4569 1 14 . 1 1 49 49 GLN N N 49 119.554 119.554 119.520 0.034 25958 4570 1 14 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.179 0.036 25958 4571 1 14 . 1 1 49 49 GLN C C 49 176.896 176.896 177.597 -0.701 25958 4572 1 14 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.683 -1.138 25958 4573 1 14 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.852 0.022 25958 4574 1 14 . 1 1 49 49 GLN H H 49 8.117 8.117 7.923 0.194 25958 4575 1 14 . 1 1 50 50 HIS N N 50 118.665 118.665 117.762 0.903 25958 4576 1 14 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.515 0.033 25958 4577 1 14 . 1 1 50 50 HIS C C 50 176.265 176.265 175.419 0.846 25958 4578 1 14 . 1 1 50 50 HIS CA C 50 57.300 57.300 55.632 1.668 25958 4579 1 14 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.593 0.596 25958 4580 1 14 . 1 1 50 50 HIS H H 50 8.138 8.138 7.813 0.325 25958 4581 1 14 . 1 1 51 51 LEU N N 51 121.208 121.208 120.643 0.565 25958 4582 1 14 . 1 1 51 51 LEU HA H 51 4.170 4.170 3.996 0.174 25958 4583 1 14 . 1 1 51 51 LEU C C 51 177.627 177.627 177.764 -0.137 25958 4584 1 14 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.591 -1.388 25958 4585 1 14 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.076 0.068 25958 4586 1 14 . 1 1 51 51 LEU H H 51 7.809 7.809 7.655 0.154 25958 4587 1 14 . 1 1 52 52 LEU N N 52 120.700 120.700 117.274 3.426 25958 4588 1 14 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.003 0.175 25958 4589 1 14 . 1 1 52 52 LEU C C 52 177.799 177.799 177.077 0.722 25958 4590 1 14 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.855 0.138 25958 4591 1 14 . 1 1 52 52 LEU CB C 52 42.118 42.118 41.939 0.179 25958 4592 1 14 . 1 1 52 52 LEU H H 52 7.924 7.924 8.056 -0.132 25958 4593 1 14 . 1 1 53 53 GLN N N 53 119.631 119.631 115.037 4.594 25958 4594 1 14 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.662 0.553 25958 4595 1 14 . 1 1 53 53 GLN C C 53 176.327 176.327 175.166 1.161 25958 4596 1 14 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.613 -0.121 25958 4597 1 14 . 1 1 53 53 GLN CB C 53 29.202 29.202 28.759 0.443 25958 4598 1 14 . 1 1 53 53 GLN H H 53 7.986 7.986 8.047 -0.061 25958 4599 1 14 . 1 1 54 54 LYS N N 54 121.278 121.278 120.517 0.761 25958 4600 1 14 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.522 -0.295 25958 4601 1 14 . 1 1 54 54 LYS C C 54 176.812 176.812 175.784 1.028 25958 4602 1 14 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.460 0.220 25958 4603 1 14 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.128 0.770 25958 4604 1 14 . 1 1 54 54 LYS H H 54 8.053 8.053 8.425 -0.372 25958 4605 1 14 . 1 1 55 55 GLN N N 55 120.539 120.539 121.007 -0.468 25958 4606 1 14 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.653 -0.331 25958 4607 1 14 . 1 1 55 55 GLN C C 55 176.291 176.291 175.373 0.918 25958 4608 1 14 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.309 0.890 25958 4609 1 14 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.754 -0.362 25958 4610 1 14 . 1 1 55 55 GLN H H 55 8.249 8.249 8.147 0.102 25958 4611 1 14 . 1 1 56 56 THR N N 56 114.334 114.334 114.632 -0.298 25958 4612 1 14 . 1 1 56 56 THR HA H 56 4.347 4.347 4.600 -0.253 25958 4613 1 14 . 1 1 56 56 THR C C 56 174.526 174.526 172.876 1.650 25958 4614 1 14 . 1 1 56 56 THR CA C 56 62.075 62.075 62.093 -0.018 25958 4615 1 14 . 1 1 56 56 THR CB C 56 69.852 69.852 69.292 0.560 25958 4616 1 14 . 1 1 56 56 THR H H 56 8.063 8.063 8.565 -0.502 25958 4617 1 14 . 1 1 57 57 SER N N 57 117.856 117.856 122.842 -4.986 25958 4618 1 14 . 1 1 57 57 SER HA H 57 4.502 4.502 4.875 -0.373 25958 4619 1 14 . 1 1 57 57 SER C C 57 174.275 174.275 173.447 0.828 25958 4620 1 14 . 1 1 57 57 SER CA C 57 58.405 58.405 57.716 0.689 25958 4621 1 14 . 1 1 57 57 SER CB C 57 63.949 63.949 65.241 -1.292 25958 4622 1 14 . 1 1 57 57 SER H H 57 8.163 8.163 8.400 -0.237 25958 4623 1 14 . 1 1 58 58 ILE N N 58 122.144 122.144 121.288 0.856 25958 4624 1 14 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.246 -0.052 25958 4625 1 14 . 1 1 58 58 ILE C C 58 176.006 176.006 174.705 1.301 25958 4626 1 14 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.672 -0.397 25958 4627 1 14 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.620 0.200 25958 4628 1 14 . 1 1 58 58 ILE H H 58 8.049 8.049 8.563 -0.514 25958 4629 1 14 . 1 1 59 59 GLN N N 59 124.842 124.842 120.997 3.845 25958 4630 1 14 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.847 -0.431 25958 4631 1 14 . 1 1 59 59 GLN C C 59 174.974 174.974 175.148 -0.174 25958 4632 1 14 . 1 1 59 59 GLN CA C 59 55.845 55.845 56.615 -0.770 25958 4633 1 14 . 1 1 59 59 GLN CB C 59 29.748 29.748 29.995 -0.247 25958 4634 1 14 . 1 1 59 59 GLN H H 59 8.327 8.327 8.396 -0.069 25958 4635 1 15 . 1 1 2 2 ASP N N 2 121.276 121.276 121.949 -0.673 25958 4636 1 15 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.629 0.054 25958 4637 1 15 . 1 1 2 2 ASP C C 2 175.828 175.828 176.585 -0.757 25958 4638 1 15 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.690 -1.005 25958 4639 1 15 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.366 -0.392 25958 4640 1 15 . 1 1 2 2 ASP H H 2 8.555 8.555 8.606 -0.051 25958 4641 1 15 . 1 1 3 3 ASP N N 3 119.296 119.296 116.326 2.970 25958 4642 1 15 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.636 -0.056 25958 4643 1 15 . 1 1 3 3 ASP C C 3 175.884 175.884 175.462 0.422 25958 4644 1 15 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.452 -0.333 25958 4645 1 15 . 1 1 3 3 ASP CB C 3 41.305 41.305 42.287 -0.982 25958 4646 1 15 . 1 1 3 3 ASP H H 3 8.004 8.004 7.971 0.033 25958 4647 1 15 . 1 1 4 4 GLU N N 4 120.922 120.922 119.954 0.968 25958 4648 1 15 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.413 -0.279 25958 4649 1 15 . 1 1 4 4 GLU C C 4 174.979 174.979 174.794 0.185 25958 4650 1 15 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.340 0.531 25958 4651 1 15 . 1 1 4 4 GLU CB C 4 30.780 30.780 30.910 -0.130 25958 4652 1 15 . 1 1 4 4 GLU H H 4 7.945 7.945 7.932 0.013 25958 4653 1 15 . 1 1 5 5 LEU N N 5 124.551 124.551 127.193 -2.642 25958 4654 1 15 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.279 0.260 25958 4655 1 15 . 1 1 5 5 LEU C C 5 175.305 175.305 176.204 -0.899 25958 4656 1 15 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.507 -0.636 25958 4657 1 15 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.916 0.925 25958 4658 1 15 . 1 1 5 5 LEU H H 5 8.042 8.042 8.596 -0.554 25958 4659 1 15 . 1 1 6 6 LEU N N 6 127.945 127.945 128.068 -0.123 25958 4660 1 15 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.513 -0.001 25958 4661 1 15 . 1 1 6 6 LEU C C 6 174.919 174.919 176.153 -1.234 25958 4662 1 15 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.324 -0.807 25958 4663 1 15 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.225 2.364 25958 4664 1 15 . 1 1 6 6 LEU H H 6 8.799 8.799 8.146 0.653 25958 4665 1 15 . 1 1 7 7 TYR N N 7 117.176 117.176 120.570 -3.394 25958 4666 1 15 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.732 0.425 25958 4667 1 15 . 1 1 7 7 TYR C C 7 175.335 175.335 174.853 0.482 25958 4668 1 15 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.674 -0.242 25958 4669 1 15 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.889 1.055 25958 4670 1 15 . 1 1 7 7 TYR H H 7 8.583 8.583 8.347 0.236 25958 4671 1 15 . 1 1 8 8 LEU N N 8 128.094 128.094 129.057 -0.963 25958 4672 1 15 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.909 0.243 25958 4673 1 15 . 1 1 8 8 LEU C C 8 173.946 173.946 174.745 -0.799 25958 4674 1 15 . 1 1 8 8 LEU CA C 8 51.618 51.618 51.385 0.233 25958 4675 1 15 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.597 2.815 25958 4676 1 15 . 1 1 8 8 LEU H H 8 9.308 9.308 8.361 0.947 25958 4677 1 15 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.762 -0.235 25958 4678 1 15 . 1 1 9 9 PRO C C 9 176.758 176.758 175.874 0.884 25958 4679 1 15 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.839 -0.749 25958 4680 1 15 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.996 -0.123 25958 4681 1 15 . 1 1 10 10 VAL N N 10 124.047 124.047 122.098 1.949 25958 4682 1 15 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.358 -0.149 25958 4683 1 15 . 1 1 10 10 VAL C C 10 173.446 173.446 174.902 -1.456 25958 4684 1 15 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.452 0.166 25958 4685 1 15 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.316 0.353 25958 4686 1 15 . 1 1 10 10 VAL H H 10 9.193 9.193 8.202 0.991 25958 4687 1 15 . 1 1 11 11 ARG N N 11 127.433 127.433 124.227 3.206 25958 4688 1 15 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.733 -0.034 25958 4689 1 15 . 1 1 11 11 ARG C C 11 176.092 176.092 174.749 1.343 25958 4690 1 15 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.461 -0.094 25958 4691 1 15 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.239 0.366 25958 4692 1 15 . 1 1 11 11 ARG H H 11 9.053 9.053 8.669 0.384 25958 4693 1 15 . 1 1 12 12 GLY N N 12 115.279 115.279 111.294 3.985 25958 4694 1 15 . 1 1 12 12 GLY C C 12 173.823 173.823 174.539 -0.716 25958 4695 1 15 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.366 -0.415 25958 4696 1 15 . 1 1 12 12 GLY H H 12 8.614 8.614 8.173 0.441 25958 4697 1 15 . 1 1 13 13 ARG N N 13 125.500 125.500 122.988 2.512 25958 4698 1 15 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.096 -0.244 25958 4699 1 15 . 1 1 13 13 ARG C C 13 177.793 177.793 178.269 -0.476 25958 4700 1 15 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.323 0.881 25958 4701 1 15 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.285 -0.518 25958 4702 1 15 . 1 1 13 13 ARG H H 13 8.774 8.774 8.785 -0.011 25958 4703 1 15 . 1 1 14 14 GLU N N 14 119.254 119.254 118.246 1.008 25958 4704 1 15 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.278 -0.196 25958 4705 1 15 . 1 1 14 14 GLU C C 14 179.794 179.794 178.871 0.923 25958 4706 1 15 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.817 0.545 25958 4707 1 15 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.432 0.527 25958 4708 1 15 . 1 1 14 14 GLU H H 14 8.888 8.888 8.845 0.043 25958 4709 1 15 . 1 1 15 15 THR N N 15 117.699 117.699 116.094 1.605 25958 4710 1 15 . 1 1 15 15 THR HA H 15 3.784 3.784 4.103 -0.319 25958 4711 1 15 . 1 1 15 15 THR C C 15 175.457 175.457 176.207 -0.750 25958 4712 1 15 . 1 1 15 15 THR CA C 15 66.498 66.498 66.522 -0.024 25958 4713 1 15 . 1 1 15 15 THR CB C 15 67.813 67.813 68.422 -0.609 25958 4714 1 15 . 1 1 15 15 THR H H 15 7.958 7.958 8.140 -0.182 25958 4715 1 15 . 1 1 16 16 TYR N N 16 122.365 122.365 122.753 -0.388 25958 4716 1 15 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.058 -0.316 25958 4717 1 15 . 1 1 16 16 TYR C C 16 175.895 175.895 177.432 -1.537 25958 4718 1 15 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.938 1.158 25958 4719 1 15 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.659 0.565 25958 4720 1 15 . 1 1 16 16 TYR H H 16 8.042 8.042 8.393 -0.351 25958 4721 1 15 . 1 1 17 17 GLU N N 17 116.940 116.940 118.907 -1.967 25958 4722 1 15 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.898 -0.071 25958 4723 1 15 . 1 1 17 17 GLU C C 17 179.448 179.448 179.012 0.436 25958 4724 1 15 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.608 0.271 25958 4725 1 15 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.545 -0.300 25958 4726 1 15 . 1 1 17 17 GLU H H 17 8.713 8.713 8.112 0.601 25958 4727 1 15 . 1 1 18 18 MET N N 18 118.965 118.965 119.280 -0.315 25958 4728 1 15 . 1 1 18 18 MET HA H 18 4.291 4.291 4.183 0.108 25958 4729 1 15 . 1 1 18 18 MET C C 18 178.050 178.050 178.229 -0.179 25958 4730 1 15 . 1 1 18 18 MET CA C 18 58.815 58.815 58.448 0.367 25958 4731 1 15 . 1 1 18 18 MET CB C 18 32.736 32.736 32.602 0.134 25958 4732 1 15 . 1 1 18 18 MET H H 18 7.505 7.505 7.794 -0.289 25958 4733 1 15 . 1 1 19 19 LEU N N 19 117.499 117.499 119.714 -2.215 25958 4734 1 15 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.999 -0.176 25958 4735 1 15 . 1 1 19 19 LEU C C 19 178.443 178.443 179.100 -0.657 25958 4736 1 15 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.428 0.133 25958 4737 1 15 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.617 0.138 25958 4738 1 15 . 1 1 19 19 LEU H H 19 8.151 8.151 7.770 0.381 25958 4739 1 15 . 1 1 20 20 LEU N N 20 120.873 120.873 120.882 -0.009 25958 4740 1 15 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.732 0.032 25958 4741 1 15 . 1 1 20 20 LEU C C 20 178.475 178.475 178.355 0.120 25958 4742 1 15 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.187 0.515 25958 4743 1 15 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.629 0.236 25958 4744 1 15 . 1 1 20 20 LEU H H 20 8.649 8.649 8.426 0.223 25958 4745 1 15 . 1 1 21 21 GLU N N 21 118.433 118.433 119.917 -1.484 25958 4746 1 15 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.916 0.145 25958 4747 1 15 . 1 1 21 21 GLU C C 21 179.572 179.572 178.788 0.784 25958 4748 1 15 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.897 -0.197 25958 4749 1 15 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.397 -0.103 25958 4750 1 15 . 1 1 21 21 GLU H H 21 7.379 7.379 8.267 -0.888 25958 4751 1 15 . 1 1 22 22 ILE N N 22 116.978 116.978 119.876 -2.898 25958 4752 1 15 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.630 0.085 25958 4753 1 15 . 1 1 22 22 ILE C C 22 177.909 177.909 177.741 0.168 25958 4754 1 15 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.127 -0.607 25958 4755 1 15 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.788 0.124 25958 4756 1 15 . 1 1 22 22 ILE H H 22 7.649 7.649 7.994 -0.345 25958 4757 1 15 . 1 1 23 23 LYS N N 23 122.631 122.631 120.271 2.360 25958 4758 1 15 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.824 -0.116 25958 4759 1 15 . 1 1 23 23 LYS C C 23 177.322 177.322 178.678 -1.356 25958 4760 1 15 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.770 0.773 25958 4761 1 15 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.940 0.555 25958 4762 1 15 . 1 1 23 23 LYS H H 23 9.094 9.094 7.996 1.098 25958 4763 1 15 . 1 1 24 24 GLU N N 24 117.756 117.756 118.735 -0.979 25958 4764 1 15 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.998 0.243 25958 4765 1 15 . 1 1 24 24 GLU C C 24 177.755 177.755 178.566 -0.811 25958 4766 1 15 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.319 0.448 25958 4767 1 15 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.572 0.195 25958 4768 1 15 . 1 1 24 24 GLU H H 24 8.320 8.320 8.350 -0.030 25958 4769 1 15 . 1 1 25 25 SER N N 25 114.010 114.010 116.194 -2.184 25958 4770 1 15 . 1 1 25 25 SER HA H 25 4.174 4.174 4.037 0.137 25958 4771 1 15 . 1 1 25 25 SER C C 25 175.840 175.840 176.440 -0.600 25958 4772 1 15 . 1 1 25 25 SER CA C 25 62.272 62.272 61.798 0.474 25958 4773 1 15 . 1 1 25 25 SER CB C 25 63.277 63.277 63.035 0.242 25958 4774 1 15 . 1 1 25 25 SER H H 25 7.425 7.425 8.271 -0.846 25958 4775 1 15 . 1 1 26 26 LEU N N 26 122.202 122.202 122.184 0.018 25958 4776 1 15 . 1 1 26 26 LEU HA H 26 4.045 4.045 3.992 0.053 25958 4777 1 15 . 1 1 26 26 LEU C C 26 180.418 180.418 178.427 1.991 25958 4778 1 15 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.894 0.105 25958 4779 1 15 . 1 1 26 26 LEU CB C 26 42.710 42.710 40.992 1.718 25958 4780 1 15 . 1 1 26 26 LEU H H 26 7.625 7.625 8.211 -0.586 25958 4781 1 15 . 1 1 27 27 GLU N N 27 118.591 118.591 119.153 -0.562 25958 4782 1 15 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.795 0.284 25958 4783 1 15 . 1 1 27 27 GLU C C 27 180.128 180.128 179.327 0.801 25958 4784 1 15 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.525 0.112 25958 4785 1 15 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.442 0.115 25958 4786 1 15 . 1 1 27 27 GLU H H 27 8.593 8.593 7.934 0.659 25958 4787 1 15 . 1 1 28 28 LEU N N 28 119.793 119.793 120.466 -0.673 25958 4788 1 15 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.046 -0.079 25958 4789 1 15 . 1 1 28 28 LEU C C 28 178.567 178.567 179.177 -0.610 25958 4790 1 15 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.673 -0.384 25958 4791 1 15 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.349 0.498 25958 4792 1 15 . 1 1 28 28 LEU H H 28 8.468 8.468 8.491 -0.023 25958 4793 1 15 . 1 1 29 29 MET N N 29 115.804 115.804 118.803 -2.999 25958 4794 1 15 . 1 1 29 29 MET HA H 29 3.928 3.928 3.998 -0.070 25958 4795 1 15 . 1 1 29 29 MET C C 29 177.907 177.907 178.102 -0.195 25958 4796 1 15 . 1 1 29 29 MET CA C 29 58.463 58.463 58.220 0.243 25958 4797 1 15 . 1 1 29 29 MET CB C 29 33.047 33.047 31.874 1.173 25958 4798 1 15 . 1 1 29 29 MET H H 29 7.279 7.279 8.197 -0.918 25958 4799 1 15 . 1 1 30 30 GLN N N 30 114.048 114.048 117.700 -3.652 25958 4800 1 15 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.086 0.034 25958 4801 1 15 . 1 1 30 30 GLN C C 30 176.520 176.520 178.342 -1.822 25958 4802 1 15 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.682 -1.747 25958 4803 1 15 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.990 -0.648 25958 4804 1 15 . 1 1 30 30 GLN H H 30 7.138 7.138 8.134 -0.996 25958 4805 1 15 . 1 1 31 31 TYR N N 31 117.000 117.000 116.184 0.816 25958 4806 1 15 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.359 0.124 25958 4807 1 15 . 1 1 31 31 TYR C C 31 176.095 176.095 176.070 0.025 25958 4808 1 15 . 1 1 31 31 TYR CA C 31 58.425 58.425 58.502 -0.077 25958 4809 1 15 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.865 -1.373 25958 4810 1 15 . 1 1 31 31 TYR H H 31 7.764 7.764 7.633 0.131 25958 4811 1 15 . 1 1 32 32 LEU N N 32 120.517 120.517 121.332 -0.815 25958 4812 1 15 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.805 -1.899 25958 4813 1 15 . 1 1 32 32 LEU C C 32 174.141 174.141 174.243 -0.102 25958 4814 1 15 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.684 0.653 25958 4815 1 15 . 1 1 32 32 LEU CB C 32 42.269 42.269 42.596 -0.327 25958 4816 1 15 . 1 1 32 32 LEU H H 32 7.368 7.368 7.660 -0.292 25958 4817 1 15 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.366 0.181 25958 4818 1 15 . 1 1 34 34 GLN CB C 34 32.286 32.286 31.293 0.993 25958 4819 1 15 . 1 1 35 35 HIS N N 35 124.090 124.090 119.896 4.194 25958 4820 1 15 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.269 0.203 25958 4821 1 15 . 1 1 35 35 HIS C C 35 177.836 177.836 177.695 0.141 25958 4822 1 15 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.329 -0.963 25958 4823 1 15 . 1 1 35 35 HIS CB C 35 29.512 29.512 30.114 -0.602 25958 4824 1 15 . 1 1 35 35 HIS H H 35 8.869 8.869 9.026 -0.157 25958 4825 1 15 . 1 1 36 36 THR N N 36 119.182 119.182 116.622 2.560 25958 4826 1 15 . 1 1 36 36 THR HA H 36 3.946 3.946 4.092 -0.146 25958 4827 1 15 . 1 1 36 36 THR C C 36 176.029 176.029 176.481 -0.452 25958 4828 1 15 . 1 1 36 36 THR CA C 36 66.606 66.606 66.489 0.117 25958 4829 1 15 . 1 1 36 36 THR CB C 36 68.598 68.598 68.537 0.061 25958 4830 1 15 . 1 1 36 36 THR H H 36 7.138 7.138 8.052 -0.914 25958 4831 1 15 . 1 1 37 37 ILE N N 37 122.903 122.903 121.216 1.687 25958 4832 1 15 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.708 -0.146 25958 4833 1 15 . 1 1 37 37 ILE C C 37 177.685 177.685 177.476 0.209 25958 4834 1 15 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.394 1.273 25958 4835 1 15 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.561 0.643 25958 4836 1 15 . 1 1 37 37 ILE H H 37 7.193 7.193 7.610 -0.417 25958 4837 1 15 . 1 1 38 38 GLU N N 38 118.719 118.719 119.965 -1.246 25958 4838 1 15 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.872 0.177 25958 4839 1 15 . 1 1 38 38 GLU C C 38 179.575 179.575 178.978 0.597 25958 4840 1 15 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.157 -0.412 25958 4841 1 15 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.579 -0.138 25958 4842 1 15 . 1 1 38 38 GLU H H 38 8.578 8.578 8.257 0.321 25958 4843 1 15 . 1 1 39 39 THR N N 39 116.297 116.297 116.451 -0.154 25958 4844 1 15 . 1 1 39 39 THR HA H 39 3.936 3.936 4.074 -0.138 25958 4845 1 15 . 1 1 39 39 THR C C 39 176.203 176.203 176.852 -0.649 25958 4846 1 15 . 1 1 39 39 THR CA C 39 66.989 66.989 66.708 0.281 25958 4847 1 15 . 1 1 39 39 THR CB C 39 68.845 68.845 68.500 0.345 25958 4848 1 15 . 1 1 39 39 THR H H 39 8.124 8.124 8.606 -0.482 25958 4849 1 15 . 1 1 40 40 TYR N N 40 123.453 123.453 123.577 -0.124 25958 4850 1 15 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.243 -0.020 25958 4851 1 15 . 1 1 40 40 TYR C C 40 178.058 178.058 177.871 0.187 25958 4852 1 15 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.516 -0.614 25958 4853 1 15 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.295 0.288 25958 4854 1 15 . 1 1 40 40 TYR H H 40 7.730 7.730 7.925 -0.195 25958 4855 1 15 . 1 1 41 41 ARG N N 41 119.944 119.944 119.145 0.799 25958 4856 1 15 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.910 -0.108 25958 4857 1 15 . 1 1 41 41 ARG C C 41 179.552 179.552 178.893 0.659 25958 4858 1 15 . 1 1 41 41 ARG CA C 41 60.487 60.487 60.096 0.390 25958 4859 1 15 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.111 -0.033 25958 4860 1 15 . 1 1 41 41 ARG H H 41 8.635 8.635 8.231 0.404 25958 4861 1 15 . 1 1 42 42 GLN N N 42 119.455 119.455 117.695 1.760 25958 4862 1 15 . 1 1 42 42 GLN HA H 42 4.083 4.083 4.020 0.063 25958 4863 1 15 . 1 1 42 42 GLN C C 42 178.700 178.700 178.425 0.275 25958 4864 1 15 . 1 1 42 42 GLN CA C 42 58.828 58.828 58.659 0.169 25958 4865 1 15 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.289 0.063 25958 4866 1 15 . 1 1 42 42 GLN H H 42 8.225 8.225 8.312 -0.087 25958 4867 1 15 . 1 1 43 43 GLN N N 43 118.905 118.905 119.936 -1.031 25958 4868 1 15 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.972 0.116 25958 4869 1 15 . 1 1 43 43 GLN C C 43 178.664 178.664 178.558 0.106 25958 4870 1 15 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.931 -0.584 25958 4871 1 15 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.532 -0.353 25958 4872 1 15 . 1 1 43 43 GLN H H 43 7.894 7.894 8.267 -0.373 25958 4873 1 15 . 1 1 44 44 GLN N N 44 117.762 117.762 117.261 0.501 25958 4874 1 15 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.067 -0.120 25958 4875 1 15 . 1 1 44 44 GLN C C 44 178.320 178.320 178.823 -0.503 25958 4876 1 15 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.346 -1.061 25958 4877 1 15 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.509 -0.348 25958 4878 1 15 . 1 1 44 44 GLN H H 44 8.034 8.034 8.382 -0.348 25958 4879 1 15 . 1 1 45 45 GLN N N 45 119.382 119.382 119.664 -0.282 25958 4880 1 15 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.112 0.079 25958 4881 1 15 . 1 1 45 45 GLN C C 45 177.742 177.742 178.351 -0.609 25958 4882 1 15 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.086 0.085 25958 4883 1 15 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.255 0.238 25958 4884 1 15 . 1 1 45 45 GLN H H 45 7.997 7.997 7.978 0.019 25958 4885 1 15 . 1 1 46 46 GLN N N 46 118.664 118.664 119.995 -1.331 25958 4886 1 15 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.909 0.287 25958 4887 1 15 . 1 1 46 46 GLN C C 46 177.540 177.540 177.945 -0.405 25958 4888 1 15 . 1 1 46 46 GLN CA C 46 57.685 57.685 59.432 -1.747 25958 4889 1 15 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.211 0.532 25958 4890 1 15 . 1 1 46 46 GLN H H 46 7.870 7.870 8.034 -0.164 25958 4891 1 15 . 1 1 47 47 GLN N N 47 118.622 118.622 119.668 -1.046 25958 4892 1 15 . 1 1 47 47 GLN C C 47 177.073 177.073 177.997 -0.924 25958 4893 1 15 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.740 -1.412 25958 4894 1 15 . 1 1 47 47 GLN CB C 47 28.925 28.925 27.980 0.945 25958 4895 1 15 . 1 1 47 47 GLN H H 47 8.043 8.043 7.956 0.087 25958 4896 1 15 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.203 0.370 25958 4897 1 15 . 1 1 48 48 HIS C C 48 176.277 176.277 176.955 -0.678 25958 4898 1 15 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.900 -0.987 25958 4899 1 15 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.120 0.099 25958 4900 1 15 . 1 1 49 49 GLN N N 49 119.554 119.554 117.959 1.595 25958 4901 1 15 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.968 0.247 25958 4902 1 15 . 1 1 49 49 GLN C C 49 176.896 176.896 178.432 -1.536 25958 4903 1 15 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.670 -1.125 25958 4904 1 15 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.642 0.232 25958 4905 1 15 . 1 1 49 49 GLN H H 49 8.117 8.117 7.919 0.198 25958 4906 1 15 . 1 1 50 50 HIS N N 50 118.665 118.665 120.109 -1.444 25958 4907 1 15 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.269 0.279 25958 4908 1 15 . 1 1 50 50 HIS C C 50 176.265 176.265 178.050 -1.785 25958 4909 1 15 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.274 -0.974 25958 4910 1 15 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.775 0.414 25958 4911 1 15 . 1 1 50 50 HIS H H 50 8.138 8.138 7.569 0.569 25958 4912 1 15 . 1 1 51 51 LEU N N 51 121.208 121.208 120.289 0.919 25958 4913 1 15 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.033 0.137 25958 4914 1 15 . 1 1 51 51 LEU C C 51 177.627 177.627 177.344 0.283 25958 4915 1 15 . 1 1 51 51 LEU CA C 51 56.203 56.203 56.940 -0.737 25958 4916 1 15 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.857 0.287 25958 4917 1 15 . 1 1 51 51 LEU H H 51 7.809 7.809 8.257 -0.448 25958 4918 1 15 . 1 1 52 52 LEU N N 52 120.700 120.700 117.648 3.052 25958 4919 1 15 . 1 1 52 52 LEU HA H 52 4.178 4.178 3.990 0.188 25958 4920 1 15 . 1 1 52 52 LEU C C 52 177.799 177.799 177.342 0.457 25958 4921 1 15 . 1 1 52 52 LEU CA C 52 55.993 55.993 56.294 -0.301 25958 4922 1 15 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.237 -0.119 25958 4923 1 15 . 1 1 52 52 LEU H H 52 7.924 7.924 7.353 0.571 25958 4924 1 15 . 1 1 53 53 GLN N N 53 119.631 119.631 118.680 0.951 25958 4925 1 15 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.146 0.069 25958 4926 1 15 . 1 1 53 53 GLN C C 53 176.327 176.327 176.639 -0.312 25958 4927 1 15 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.622 -0.130 25958 4928 1 15 . 1 1 53 53 GLN CB C 53 29.202 29.202 29.258 -0.056 25958 4929 1 15 . 1 1 53 53 GLN H H 53 7.986 7.986 7.558 0.428 25958 4930 1 15 . 1 1 54 54 LYS N N 54 121.278 121.278 125.744 -4.466 25958 4931 1 15 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.072 0.155 25958 4932 1 15 . 1 1 54 54 LYS C C 54 176.812 176.812 177.816 -1.004 25958 4933 1 15 . 1 1 54 54 LYS CA C 54 56.680 56.680 58.247 -1.567 25958 4934 1 15 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.536 0.362 25958 4935 1 15 . 1 1 54 54 LYS H H 54 8.053 8.053 8.611 -0.558 25958 4936 1 15 . 1 1 55 55 GLN N N 55 120.539 120.539 117.156 3.383 25958 4937 1 15 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.170 0.152 25958 4938 1 15 . 1 1 55 55 GLN C C 55 176.291 176.291 177.356 -1.065 25958 4939 1 15 . 1 1 55 55 GLN CA C 55 56.199 56.199 57.788 -1.589 25958 4940 1 15 . 1 1 55 55 GLN CB C 55 29.392 29.392 28.969 0.423 25958 4941 1 15 . 1 1 55 55 GLN H H 55 8.249 8.249 8.002 0.247 25958 4942 1 15 . 1 1 56 56 THR N N 56 114.334 114.334 110.676 3.658 25958 4943 1 15 . 1 1 56 56 THR HA H 56 4.347 4.347 3.930 0.417 25958 4944 1 15 . 1 1 56 56 THR C C 56 174.526 174.526 174.239 0.287 25958 4945 1 15 . 1 1 56 56 THR CA C 56 62.075 62.075 64.291 -2.216 25958 4946 1 15 . 1 1 56 56 THR CB C 56 69.852 69.852 67.775 2.077 25958 4947 1 15 . 1 1 56 56 THR H H 56 8.063 8.063 8.492 -0.429 25958 4948 1 15 . 1 1 57 57 SER N N 57 117.856 117.856 117.326 0.530 25958 4949 1 15 . 1 1 57 57 SER HA H 57 4.502 4.502 4.620 -0.118 25958 4950 1 15 . 1 1 57 57 SER C C 57 174.275 174.275 174.114 0.161 25958 4951 1 15 . 1 1 57 57 SER CA C 57 58.405 58.405 58.327 0.078 25958 4952 1 15 . 1 1 57 57 SER CB C 57 63.949 63.949 63.640 0.309 25958 4953 1 15 . 1 1 57 57 SER H H 57 8.163 8.163 7.873 0.290 25958 4954 1 15 . 1 1 58 58 ILE N N 58 122.144 122.144 124.865 -2.721 25958 4955 1 15 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.281 -0.087 25958 4956 1 15 . 1 1 58 58 ILE C C 58 176.006 176.006 174.801 1.205 25958 4957 1 15 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.990 -0.715 25958 4958 1 15 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.805 0.015 25958 4959 1 15 . 1 1 58 58 ILE H H 58 8.049 8.049 8.546 -0.497 25958 4960 1 15 . 1 1 59 59 GLN N N 59 124.842 124.842 120.125 4.717 25958 4961 1 15 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.697 -0.281 25958 4962 1 15 . 1 1 59 59 GLN C C 59 174.974 174.974 175.110 -0.136 25958 4963 1 15 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.267 0.578 25958 4964 1 15 . 1 1 59 59 GLN CB C 59 29.748 29.748 32.237 -2.490 25958 4965 1 15 . 1 1 59 59 GLN H H 59 8.327 8.327 8.288 0.039 25958 4966 1 16 . 1 1 2 2 ASP N N 2 121.276 121.276 123.989 -2.713 25958 4967 1 16 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.647 0.036 25958 4968 1 16 . 1 1 2 2 ASP C C 2 175.828 175.828 175.977 -0.149 25958 4969 1 16 . 1 1 2 2 ASP CA C 2 54.685 54.685 53.974 0.711 25958 4970 1 16 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.687 0.287 25958 4971 1 16 . 1 1 2 2 ASP H H 2 8.555 8.555 8.568 -0.013 25958 4972 1 16 . 1 1 3 3 ASP N N 3 119.296 119.296 117.918 1.378 25958 4973 1 16 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.593 -0.013 25958 4974 1 16 . 1 1 3 3 ASP C C 3 175.884 175.884 176.409 -0.525 25958 4975 1 16 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.341 0.778 25958 4976 1 16 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.542 -0.237 25958 4977 1 16 . 1 1 3 3 ASP H H 3 8.004 8.004 7.817 0.187 25958 4978 1 16 . 1 1 4 4 GLU N N 4 120.922 120.922 121.305 -0.383 25958 4979 1 16 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.283 -0.148 25958 4980 1 16 . 1 1 4 4 GLU C C 4 174.979 174.979 176.027 -1.048 25958 4981 1 16 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.317 0.554 25958 4982 1 16 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.777 1.003 25958 4983 1 16 . 1 1 4 4 GLU H H 4 7.945 7.945 7.998 -0.053 25958 4984 1 16 . 1 1 5 5 LEU N N 5 124.551 124.551 128.639 -4.088 25958 4985 1 16 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.174 0.365 25958 4986 1 16 . 1 1 5 5 LEU C C 5 175.305 175.305 175.784 -0.479 25958 4987 1 16 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.780 0.091 25958 4988 1 16 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.556 1.285 25958 4989 1 16 . 1 1 5 5 LEU H H 5 8.042 8.042 8.561 -0.519 25958 4990 1 16 . 1 1 6 6 LEU N N 6 127.945 127.945 126.419 1.526 25958 4991 1 16 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.559 -0.047 25958 4992 1 16 . 1 1 6 6 LEU C C 6 174.919 174.919 176.603 -1.684 25958 4993 1 16 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.435 -0.918 25958 4994 1 16 . 1 1 6 6 LEU CB C 6 45.589 45.589 42.940 2.649 25958 4995 1 16 . 1 1 6 6 LEU H H 6 8.799 8.799 8.099 0.700 25958 4996 1 16 . 1 1 7 7 TYR N N 7 117.176 117.176 124.115 -6.939 25958 4997 1 16 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.740 0.417 25958 4998 1 16 . 1 1 7 7 TYR C C 7 175.335 175.335 175.612 -0.277 25958 4999 1 16 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.462 -0.031 25958 5000 1 16 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.878 1.066 25958 5001 1 16 . 1 1 7 7 TYR H H 7 8.583 8.583 8.511 0.072 25958 5002 1 16 . 1 1 8 8 LEU N N 8 128.094 128.094 125.259 2.835 25958 5003 1 16 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.783 0.369 25958 5004 1 16 . 1 1 8 8 LEU C C 8 173.946 173.946 174.434 -0.488 25958 5005 1 16 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.678 -1.060 25958 5006 1 16 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.795 1.617 25958 5007 1 16 . 1 1 8 8 LEU H H 8 9.308 9.308 8.602 0.706 25958 5008 1 16 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.755 -0.228 25958 5009 1 16 . 1 1 9 9 PRO C C 9 176.758 176.758 175.563 1.195 25958 5010 1 16 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.824 -0.734 25958 5011 1 16 . 1 1 9 9 PRO CB C 9 31.873 31.873 32.040 -0.167 25958 5012 1 16 . 1 1 10 10 VAL N N 10 124.047 124.047 123.310 0.737 25958 5013 1 16 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.357 -0.148 25958 5014 1 16 . 1 1 10 10 VAL C C 10 173.446 173.446 174.902 -1.456 25958 5015 1 16 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.458 0.160 25958 5016 1 16 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.246 0.423 25958 5017 1 16 . 1 1 10 10 VAL H H 10 9.193 9.193 8.181 1.012 25958 5018 1 16 . 1 1 11 11 ARG N N 11 127.433 127.433 124.645 2.788 25958 5019 1 16 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.724 -0.025 25958 5020 1 16 . 1 1 11 11 ARG C C 11 176.092 176.092 174.961 1.131 25958 5021 1 16 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.907 -0.540 25958 5022 1 16 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.886 -0.281 25958 5023 1 16 . 1 1 11 11 ARG H H 11 9.053 9.053 8.673 0.380 25958 5024 1 16 . 1 1 12 12 GLY N N 12 115.279 115.279 112.535 2.744 25958 5025 1 16 . 1 1 12 12 GLY C C 12 173.823 173.823 174.929 -1.106 25958 5026 1 16 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.071 -0.120 25958 5027 1 16 . 1 1 12 12 GLY H H 12 8.614 8.614 8.185 0.429 25958 5028 1 16 . 1 1 13 13 ARG N N 13 125.500 125.500 124.886 0.614 25958 5029 1 16 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.032 -0.180 25958 5030 1 16 . 1 1 13 13 ARG C C 13 177.793 177.793 178.008 -0.215 25958 5031 1 16 . 1 1 13 13 ARG CA C 13 59.204 59.204 59.035 0.169 25958 5032 1 16 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.200 -0.433 25958 5033 1 16 . 1 1 13 13 ARG H H 13 8.774 8.774 8.840 -0.066 25958 5034 1 16 . 1 1 14 14 GLU N N 14 119.254 119.254 118.228 1.026 25958 5035 1 16 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.187 -0.105 25958 5036 1 16 . 1 1 14 14 GLU C C 14 179.794 179.794 178.339 1.455 25958 5037 1 16 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.492 0.870 25958 5038 1 16 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.541 0.418 25958 5039 1 16 . 1 1 14 14 GLU H H 14 8.888 8.888 8.886 0.002 25958 5040 1 16 . 1 1 15 15 THR N N 15 117.699 117.699 116.422 1.277 25958 5041 1 16 . 1 1 15 15 THR HA H 15 3.784 3.784 4.064 -0.280 25958 5042 1 16 . 1 1 15 15 THR C C 15 175.457 175.457 176.442 -0.985 25958 5043 1 16 . 1 1 15 15 THR CA C 15 66.498 66.498 66.007 0.491 25958 5044 1 16 . 1 1 15 15 THR CB C 15 67.813 67.813 68.283 -0.470 25958 5045 1 16 . 1 1 15 15 THR H H 15 7.958 7.958 8.094 -0.136 25958 5046 1 16 . 1 1 16 16 TYR N N 16 122.365 122.365 123.147 -0.782 25958 5047 1 16 . 1 1 16 16 TYR HA H 16 3.742 3.742 3.993 -0.251 25958 5048 1 16 . 1 1 16 16 TYR C C 16 175.895 175.895 177.246 -1.351 25958 5049 1 16 . 1 1 16 16 TYR CA C 16 63.096 63.096 62.000 1.096 25958 5050 1 16 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.541 0.683 25958 5051 1 16 . 1 1 16 16 TYR H H 16 8.042 8.042 8.682 -0.640 25958 5052 1 16 . 1 1 17 17 GLU N N 17 116.940 116.940 118.501 -1.561 25958 5053 1 16 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.663 0.164 25958 5054 1 16 . 1 1 17 17 GLU C C 17 179.448 179.448 178.880 0.568 25958 5055 1 16 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.764 0.115 25958 5056 1 16 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.653 -0.408 25958 5057 1 16 . 1 1 17 17 GLU H H 17 8.713 8.713 7.852 0.861 25958 5058 1 16 . 1 1 18 18 MET N N 18 118.965 118.965 117.643 1.322 25958 5059 1 16 . 1 1 18 18 MET HA H 18 4.291 4.291 4.119 0.172 25958 5060 1 16 . 1 1 18 18 MET C C 18 178.050 178.050 178.452 -0.402 25958 5061 1 16 . 1 1 18 18 MET CA C 18 58.815 58.815 58.959 -0.144 25958 5062 1 16 . 1 1 18 18 MET CB C 18 32.736 32.736 32.444 0.292 25958 5063 1 16 . 1 1 18 18 MET H H 18 7.505 7.505 7.740 -0.235 25958 5064 1 16 . 1 1 19 19 LEU N N 19 117.499 117.499 121.264 -3.765 25958 5065 1 16 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.911 -0.088 25958 5066 1 16 . 1 1 19 19 LEU C C 19 178.443 178.443 179.274 -0.831 25958 5067 1 16 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.675 -0.114 25958 5068 1 16 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.431 0.324 25958 5069 1 16 . 1 1 19 19 LEU H H 19 8.151 8.151 8.349 -0.198 25958 5070 1 16 . 1 1 20 20 LEU N N 20 120.873 120.873 120.023 0.850 25958 5071 1 16 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.714 0.050 25958 5072 1 16 . 1 1 20 20 LEU C C 20 178.475 178.475 178.312 0.163 25958 5073 1 16 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.340 0.362 25958 5074 1 16 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.625 0.240 25958 5075 1 16 . 1 1 20 20 LEU H H 20 8.649 8.649 8.297 0.352 25958 5076 1 16 . 1 1 21 21 GLU N N 21 118.433 118.433 119.640 -1.207 25958 5077 1 16 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.946 0.115 25958 5078 1 16 . 1 1 21 21 GLU C C 21 179.572 179.572 179.272 0.300 25958 5079 1 16 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.901 -0.201 25958 5080 1 16 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.563 -0.269 25958 5081 1 16 . 1 1 21 21 GLU H H 21 7.379 7.379 7.663 -0.284 25958 5082 1 16 . 1 1 22 22 ILE N N 22 116.978 116.978 120.716 -3.738 25958 5083 1 16 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.777 -0.062 25958 5084 1 16 . 1 1 22 22 ILE C C 22 177.909 177.909 178.183 -0.274 25958 5085 1 16 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.299 -0.779 25958 5086 1 16 . 1 1 22 22 ILE CB C 22 37.912 37.912 38.008 -0.096 25958 5087 1 16 . 1 1 22 22 ILE H H 22 7.649 7.649 8.459 -0.810 25958 5088 1 16 . 1 1 23 23 LYS N N 23 122.631 122.631 120.361 2.270 25958 5089 1 16 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.925 -0.217 25958 5090 1 16 . 1 1 23 23 LYS C C 23 177.322 177.322 178.869 -1.547 25958 5091 1 16 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.822 0.721 25958 5092 1 16 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.195 0.300 25958 5093 1 16 . 1 1 23 23 LYS H H 23 9.094 9.094 8.180 0.914 25958 5094 1 16 . 1 1 24 24 GLU N N 24 117.756 117.756 119.218 -1.462 25958 5095 1 16 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.027 0.214 25958 5096 1 16 . 1 1 24 24 GLU C C 24 177.755 177.755 179.087 -1.332 25958 5097 1 16 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.467 0.300 25958 5098 1 16 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.273 0.494 25958 5099 1 16 . 1 1 24 24 GLU H H 24 8.320 8.320 8.534 -0.214 25958 5100 1 16 . 1 1 25 25 SER N N 25 114.010 114.010 115.663 -1.653 25958 5101 1 16 . 1 1 25 25 SER HA H 25 4.174 4.174 4.121 0.053 25958 5102 1 16 . 1 1 25 25 SER C C 25 175.840 175.840 177.096 -1.256 25958 5103 1 16 . 1 1 25 25 SER CA C 25 62.272 62.272 61.831 0.441 25958 5104 1 16 . 1 1 25 25 SER CB C 25 63.277 63.277 62.605 0.672 25958 5105 1 16 . 1 1 25 25 SER H H 25 7.425 7.425 8.299 -0.874 25958 5106 1 16 . 1 1 26 26 LEU N N 26 122.202 122.202 123.690 -1.488 25958 5107 1 16 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.078 -0.033 25958 5108 1 16 . 1 1 26 26 LEU C C 26 180.418 180.418 178.671 1.747 25958 5109 1 16 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.506 0.493 25958 5110 1 16 . 1 1 26 26 LEU CB C 26 42.710 42.710 42.001 0.709 25958 5111 1 16 . 1 1 26 26 LEU H H 26 7.625 7.625 7.748 -0.123 25958 5112 1 16 . 1 1 27 27 GLU N N 27 118.591 118.591 120.282 -1.691 25958 5113 1 16 . 1 1 27 27 GLU HA H 27 4.079 4.079 4.060 0.019 25958 5114 1 16 . 1 1 27 27 GLU C C 27 180.128 180.128 179.173 0.955 25958 5115 1 16 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.911 -0.275 25958 5116 1 16 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.620 -0.063 25958 5117 1 16 . 1 1 27 27 GLU H H 27 8.593 8.593 8.333 0.260 25958 5118 1 16 . 1 1 28 28 LEU N N 28 119.793 119.793 119.308 0.485 25958 5119 1 16 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.021 -0.054 25958 5120 1 16 . 1 1 28 28 LEU C C 28 178.567 178.567 179.173 -0.606 25958 5121 1 16 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.947 -0.658 25958 5122 1 16 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.797 0.050 25958 5123 1 16 . 1 1 28 28 LEU H H 28 8.468 8.468 8.555 -0.087 25958 5124 1 16 . 1 1 29 29 MET N N 29 115.804 115.804 118.608 -2.804 25958 5125 1 16 . 1 1 29 29 MET HA H 29 3.928 3.928 4.035 -0.107 25958 5126 1 16 . 1 1 29 29 MET C C 29 177.907 177.907 177.912 -0.005 25958 5127 1 16 . 1 1 29 29 MET CA C 29 58.463 58.463 58.676 -0.213 25958 5128 1 16 . 1 1 29 29 MET CB C 29 33.047 33.047 32.605 0.442 25958 5129 1 16 . 1 1 29 29 MET H H 29 7.279 7.279 7.781 -0.502 25958 5130 1 16 . 1 1 30 30 GLN N N 30 114.048 114.048 117.551 -3.503 25958 5131 1 16 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.078 0.042 25958 5132 1 16 . 1 1 30 30 GLN C C 30 176.520 176.520 178.059 -1.539 25958 5133 1 16 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.151 -1.216 25958 5134 1 16 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.660 -0.318 25958 5135 1 16 . 1 1 30 30 GLN H H 30 7.138 7.138 7.876 -0.738 25958 5136 1 16 . 1 1 31 31 TYR N N 31 117.000 117.000 117.330 -0.330 25958 5137 1 16 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.381 0.102 25958 5138 1 16 . 1 1 31 31 TYR C C 31 176.095 176.095 176.515 -0.420 25958 5139 1 16 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.758 -2.333 25958 5140 1 16 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.560 -1.068 25958 5141 1 16 . 1 1 31 31 TYR H H 31 7.764 7.764 7.930 -0.166 25958 5142 1 16 . 1 1 32 32 LEU N N 32 120.517 120.517 120.170 0.347 25958 5143 1 16 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.849 -1.943 25958 5144 1 16 . 1 1 32 32 LEU C C 32 174.141 174.141 175.043 -0.902 25958 5145 1 16 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.424 0.913 25958 5146 1 16 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.621 -1.352 25958 5147 1 16 . 1 1 32 32 LEU H H 32 7.368 7.368 7.857 -0.489 25958 5148 1 16 . 1 1 34 34 GLN HA H 34 4.547 4.547 3.951 0.596 25958 5149 1 16 . 1 1 34 34 GLN CB C 34 32.286 32.286 28.869 3.417 25958 5150 1 16 . 1 1 35 35 HIS N N 35 124.090 124.090 118.400 5.690 25958 5151 1 16 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.369 0.103 25958 5152 1 16 . 1 1 35 35 HIS C C 35 177.836 177.836 177.084 0.752 25958 5153 1 16 . 1 1 35 35 HIS CA C 35 59.366 59.366 58.913 0.453 25958 5154 1 16 . 1 1 35 35 HIS CB C 35 29.512 29.512 30.012 -0.500 25958 5155 1 16 . 1 1 35 35 HIS H H 35 8.869 8.869 8.899 -0.030 25958 5156 1 16 . 1 1 36 36 THR N N 36 119.182 119.182 117.312 1.870 25958 5157 1 16 . 1 1 36 36 THR HA H 36 3.946 3.946 3.957 -0.011 25958 5158 1 16 . 1 1 36 36 THR C C 36 176.029 176.029 176.696 -0.667 25958 5159 1 16 . 1 1 36 36 THR CA C 36 66.606 66.606 66.972 -0.366 25958 5160 1 16 . 1 1 36 36 THR CB C 36 68.598 68.598 68.868 -0.270 25958 5161 1 16 . 1 1 36 36 THR H H 36 7.138 7.138 7.677 -0.539 25958 5162 1 16 . 1 1 37 37 ILE N N 37 122.903 122.903 121.139 1.764 25958 5163 1 16 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.879 -0.317 25958 5164 1 16 . 1 1 37 37 ILE C C 37 177.685 177.685 177.594 0.091 25958 5165 1 16 . 1 1 37 37 ILE CA C 37 65.667 65.667 63.215 2.452 25958 5166 1 16 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.780 1.424 25958 5167 1 16 . 1 1 37 37 ILE H H 37 7.193 7.193 8.002 -0.809 25958 5168 1 16 . 1 1 38 38 GLU N N 38 118.719 118.719 120.848 -2.129 25958 5169 1 16 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.890 0.159 25958 5170 1 16 . 1 1 38 38 GLU C C 38 179.575 179.575 178.909 0.666 25958 5171 1 16 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.190 -0.445 25958 5172 1 16 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.552 -0.111 25958 5173 1 16 . 1 1 38 38 GLU H H 38 8.578 8.578 8.009 0.569 25958 5174 1 16 . 1 1 39 39 THR N N 39 116.297 116.297 116.402 -0.105 25958 5175 1 16 . 1 1 39 39 THR HA H 39 3.936 3.936 3.906 0.030 25958 5176 1 16 . 1 1 39 39 THR C C 39 176.203 176.203 175.963 0.240 25958 5177 1 16 . 1 1 39 39 THR CA C 39 66.989 66.989 67.170 -0.181 25958 5178 1 16 . 1 1 39 39 THR CB C 39 68.845 68.845 68.430 0.415 25958 5179 1 16 . 1 1 39 39 THR H H 39 8.124 8.124 8.007 0.117 25958 5180 1 16 . 1 1 40 40 TYR N N 40 123.453 123.453 122.117 1.336 25958 5181 1 16 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.020 0.203 25958 5182 1 16 . 1 1 40 40 TYR C C 40 178.058 178.058 177.563 0.495 25958 5183 1 16 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.575 0.327 25958 5184 1 16 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.791 -0.207 25958 5185 1 16 . 1 1 40 40 TYR H H 40 7.730 7.730 7.819 -0.089 25958 5186 1 16 . 1 1 41 41 ARG N N 41 119.944 119.944 118.491 1.453 25958 5187 1 16 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.920 -0.118 25958 5188 1 16 . 1 1 41 41 ARG C C 41 179.552 179.552 178.333 1.219 25958 5189 1 16 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.795 0.692 25958 5190 1 16 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.086 -0.008 25958 5191 1 16 . 1 1 41 41 ARG H H 41 8.635 8.635 8.709 -0.074 25958 5192 1 16 . 1 1 42 42 GLN N N 42 119.455 119.455 119.137 0.318 25958 5193 1 16 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.989 0.094 25958 5194 1 16 . 1 1 42 42 GLN C C 42 178.700 178.700 178.381 0.319 25958 5195 1 16 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.038 -0.210 25958 5196 1 16 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.253 0.099 25958 5197 1 16 . 1 1 42 42 GLN H H 42 8.225 8.225 8.089 0.136 25958 5198 1 16 . 1 1 43 43 GLN N N 43 118.905 118.905 118.692 0.213 25958 5199 1 16 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.978 0.110 25958 5200 1 16 . 1 1 43 43 GLN C C 43 178.664 178.664 178.522 0.142 25958 5201 1 16 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.945 -0.598 25958 5202 1 16 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.568 -0.389 25958 5203 1 16 . 1 1 43 43 GLN H H 43 7.894 7.894 7.785 0.109 25958 5204 1 16 . 1 1 44 44 GLN N N 44 117.762 117.762 119.212 -1.450 25958 5205 1 16 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.066 -0.119 25958 5206 1 16 . 1 1 44 44 GLN C C 44 178.320 178.320 178.907 -0.587 25958 5207 1 16 . 1 1 44 44 GLN CA C 44 57.285 57.285 59.074 -1.789 25958 5208 1 16 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.499 -0.338 25958 5209 1 16 . 1 1 44 44 GLN H H 44 8.034 8.034 8.201 -0.167 25958 5210 1 16 . 1 1 45 45 GLN N N 45 119.382 119.382 118.138 1.244 25958 5211 1 16 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.249 -0.058 25958 5212 1 16 . 1 1 45 45 GLN C C 45 177.742 177.742 178.896 -1.154 25958 5213 1 16 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.667 -0.496 25958 5214 1 16 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.239 0.254 25958 5215 1 16 . 1 1 45 45 GLN H H 45 7.997 7.997 8.559 -0.562 25958 5216 1 16 . 1 1 46 46 GLN N N 46 118.664 118.664 119.992 -1.328 25958 5217 1 16 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.322 -0.126 25958 5218 1 16 . 1 1 46 46 GLN C C 46 177.540 177.540 178.804 -1.264 25958 5219 1 16 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.934 -1.249 25958 5220 1 16 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.629 0.114 25958 5221 1 16 . 1 1 46 46 GLN H H 46 7.870 7.870 7.688 0.182 25958 5222 1 16 . 1 1 47 47 GLN N N 47 118.622 118.622 119.799 -1.177 25958 5223 1 16 . 1 1 47 47 GLN C C 47 177.073 177.073 178.226 -1.153 25958 5224 1 16 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.773 -1.446 25958 5225 1 16 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.681 0.244 25958 5226 1 16 . 1 1 47 47 GLN H H 47 8.043 8.043 8.200 -0.157 25958 5227 1 16 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.217 0.356 25958 5228 1 16 . 1 1 48 48 HIS C C 48 176.277 176.277 177.560 -1.283 25958 5229 1 16 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.176 -1.263 25958 5230 1 16 . 1 1 48 48 HIS CB C 48 30.219 30.219 30.145 0.074 25958 5231 1 16 . 1 1 49 49 GLN N N 49 119.554 119.554 116.861 2.693 25958 5232 1 16 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.901 0.314 25958 5233 1 16 . 1 1 49 49 GLN C C 49 176.896 176.896 178.218 -1.322 25958 5234 1 16 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.483 -0.938 25958 5235 1 16 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.465 0.409 25958 5236 1 16 . 1 1 49 49 GLN H H 49 8.117 8.117 7.695 0.422 25958 5237 1 16 . 1 1 50 50 HIS N N 50 118.665 118.665 118.226 0.439 25958 5238 1 16 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.397 0.151 25958 5239 1 16 . 1 1 50 50 HIS C C 50 176.265 176.265 178.010 -1.745 25958 5240 1 16 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.923 -1.623 25958 5241 1 16 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.957 0.232 25958 5242 1 16 . 1 1 50 50 HIS H H 50 8.138 8.138 7.766 0.372 25958 5243 1 16 . 1 1 51 51 LEU N N 51 121.208 121.208 120.706 0.502 25958 5244 1 16 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.207 -0.037 25958 5245 1 16 . 1 1 51 51 LEU C C 51 177.627 177.627 178.106 -0.479 25958 5246 1 16 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.760 -1.557 25958 5247 1 16 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.285 -0.141 25958 5248 1 16 . 1 1 51 51 LEU H H 51 7.809 7.809 8.463 -0.654 25958 5249 1 16 . 1 1 52 52 LEU N N 52 120.700 120.700 116.987 3.713 25958 5250 1 16 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.538 -0.360 25958 5251 1 16 . 1 1 52 52 LEU C C 52 177.799 177.799 175.636 2.163 25958 5252 1 16 . 1 1 52 52 LEU CA C 52 55.993 55.993 53.666 2.327 25958 5253 1 16 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.726 -0.608 25958 5254 1 16 . 1 1 52 52 LEU H H 52 7.924 7.924 7.433 0.491 25958 5255 1 16 . 1 1 53 53 GLN N N 53 119.631 119.631 120.849 -1.218 25958 5256 1 16 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.182 0.033 25958 5257 1 16 . 1 1 53 53 GLN C C 53 176.327 176.327 175.114 1.213 25958 5258 1 16 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.173 0.319 25958 5259 1 16 . 1 1 53 53 GLN CB C 53 29.202 29.202 27.785 1.417 25958 5260 1 16 . 1 1 53 53 GLN H H 53 7.986 7.986 7.407 0.579 25958 5261 1 16 . 1 1 54 54 LYS N N 54 121.278 121.278 125.229 -3.951 25958 5262 1 16 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.411 -0.184 25958 5263 1 16 . 1 1 54 54 LYS C C 54 176.812 176.812 177.371 -0.559 25958 5264 1 16 . 1 1 54 54 LYS CA C 54 56.680 56.680 55.524 1.156 25958 5265 1 16 . 1 1 54 54 LYS CB C 54 32.898 32.898 34.216 -1.318 25958 5266 1 16 . 1 1 54 54 LYS H H 54 8.053 8.053 8.017 0.036 25958 5267 1 16 . 1 1 55 55 GLN N N 55 120.539 120.539 122.659 -2.120 25958 5268 1 16 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.252 0.070 25958 5269 1 16 . 1 1 55 55 GLN C C 55 176.291 176.291 176.258 0.033 25958 5270 1 16 . 1 1 55 55 GLN CA C 55 56.199 56.199 58.737 -2.538 25958 5271 1 16 . 1 1 55 55 GLN CB C 55 29.392 29.392 28.910 0.482 25958 5272 1 16 . 1 1 55 55 GLN H H 55 8.249 8.249 8.820 -0.571 25958 5273 1 16 . 1 1 56 56 THR N N 56 114.334 114.334 111.789 2.545 25958 5274 1 16 . 1 1 56 56 THR HA H 56 4.347 4.347 4.013 0.334 25958 5275 1 16 . 1 1 56 56 THR C C 56 174.526 174.526 174.021 0.505 25958 5276 1 16 . 1 1 56 56 THR CA C 56 62.075 62.075 63.235 -1.160 25958 5277 1 16 . 1 1 56 56 THR CB C 56 69.852 69.852 68.451 1.401 25958 5278 1 16 . 1 1 56 56 THR H H 56 8.063 8.063 7.820 0.243 25958 5279 1 16 . 1 1 57 57 SER N N 57 117.856 117.856 116.051 1.805 25958 5280 1 16 . 1 1 57 57 SER HA H 57 4.502 4.502 4.466 0.036 25958 5281 1 16 . 1 1 57 57 SER C C 57 174.275 174.275 174.146 0.129 25958 5282 1 16 . 1 1 57 57 SER CA C 57 58.405 58.405 59.359 -0.954 25958 5283 1 16 . 1 1 57 57 SER CB C 57 63.949 63.949 63.028 0.921 25958 5284 1 16 . 1 1 57 57 SER H H 57 8.163 8.163 8.496 -0.333 25958 5285 1 16 . 1 1 58 58 ILE N N 58 122.144 122.144 120.914 1.230 25958 5286 1 16 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.381 -0.187 25958 5287 1 16 . 1 1 58 58 ILE C C 58 176.006 176.006 174.431 1.575 25958 5288 1 16 . 1 1 58 58 ILE CA C 58 61.275 61.275 59.411 1.864 25958 5289 1 16 . 1 1 58 58 ILE CB C 58 38.820 38.820 41.128 -2.308 25958 5290 1 16 . 1 1 58 58 ILE H H 58 8.049 8.049 7.310 0.739 25958 5291 1 16 . 1 1 59 59 GLN N N 59 124.842 124.842 123.420 1.422 25958 5292 1 16 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.267 0.149 25958 5293 1 16 . 1 1 59 59 GLN C C 59 174.974 174.974 175.141 -0.167 25958 5294 1 16 . 1 1 59 59 GLN CA C 59 55.845 55.845 56.816 -0.970 25958 5295 1 16 . 1 1 59 59 GLN CB C 59 29.748 29.748 28.217 1.531 25958 5296 1 16 . 1 1 59 59 GLN H H 59 8.327 8.327 8.499 -0.172 25958 5297 1 17 . 1 1 2 2 ASP N N 2 121.276 121.276 122.132 -0.856 25958 5298 1 17 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.690 -0.007 25958 5299 1 17 . 1 1 2 2 ASP C C 2 175.828 175.828 176.105 -0.277 25958 5300 1 17 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.011 -0.326 25958 5301 1 17 . 1 1 2 2 ASP CB C 2 40.974 40.974 41.305 -0.331 25958 5302 1 17 . 1 1 2 2 ASP H H 2 8.555 8.555 8.624 -0.069 25958 5303 1 17 . 1 1 3 3 ASP N N 3 119.296 119.296 120.613 -1.317 25958 5304 1 17 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.765 -0.185 25958 5305 1 17 . 1 1 3 3 ASP C C 3 175.884 175.884 175.029 0.855 25958 5306 1 17 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.770 0.348 25958 5307 1 17 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.727 0.578 25958 5308 1 17 . 1 1 3 3 ASP H H 3 8.004 8.004 8.251 -0.247 25958 5309 1 17 . 1 1 4 4 GLU N N 4 120.922 120.922 122.740 -1.818 25958 5310 1 17 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.277 -0.142 25958 5311 1 17 . 1 1 4 4 GLU C C 4 174.979 174.979 175.673 -0.694 25958 5312 1 17 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.023 0.848 25958 5313 1 17 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.280 1.500 25958 5314 1 17 . 1 1 4 4 GLU H H 4 7.945 7.945 8.300 -0.355 25958 5315 1 17 . 1 1 5 5 LEU N N 5 124.551 124.551 127.760 -3.209 25958 5316 1 17 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.180 0.359 25958 5317 1 17 . 1 1 5 5 LEU C C 5 175.305 175.305 175.240 0.065 25958 5318 1 17 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.304 -0.433 25958 5319 1 17 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.770 1.071 25958 5320 1 17 . 1 1 5 5 LEU H H 5 8.042 8.042 8.065 -0.023 25958 5321 1 17 . 1 1 6 6 LEU N N 6 127.945 127.945 127.497 0.448 25958 5322 1 17 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.312 0.200 25958 5323 1 17 . 1 1 6 6 LEU C C 6 174.919 174.919 176.382 -1.463 25958 5324 1 17 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.880 -0.363 25958 5325 1 17 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.552 2.037 25958 5326 1 17 . 1 1 6 6 LEU H H 6 8.799 8.799 8.032 0.767 25958 5327 1 17 . 1 1 7 7 TYR N N 7 117.176 117.176 121.111 -3.935 25958 5328 1 17 . 1 1 7 7 TYR HA H 7 5.157 5.157 5.048 0.109 25958 5329 1 17 . 1 1 7 7 TYR C C 7 175.335 175.335 174.760 0.575 25958 5330 1 17 . 1 1 7 7 TYR CA C 7 57.432 57.432 56.968 0.464 25958 5331 1 17 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.983 -0.040 25958 5332 1 17 . 1 1 7 7 TYR H H 7 8.583 8.583 8.192 0.391 25958 5333 1 17 . 1 1 8 8 LEU N N 8 128.094 128.094 125.523 2.571 25958 5334 1 17 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.843 0.309 25958 5335 1 17 . 1 1 8 8 LEU C C 8 173.946 173.946 174.377 -0.431 25958 5336 1 17 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.377 -0.759 25958 5337 1 17 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.488 1.924 25958 5338 1 17 . 1 1 8 8 LEU H H 8 9.308 9.308 8.552 0.756 25958 5339 1 17 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.685 -0.158 25958 5340 1 17 . 1 1 9 9 PRO C C 9 176.758 176.758 176.005 0.753 25958 5341 1 17 . 1 1 9 9 PRO CA C 9 62.090 62.090 63.059 -0.969 25958 5342 1 17 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.630 0.243 25958 5343 1 17 . 1 1 10 10 VAL N N 10 124.047 124.047 124.174 -0.127 25958 5344 1 17 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.364 -0.155 25958 5345 1 17 . 1 1 10 10 VAL C C 10 173.446 173.446 174.721 -1.275 25958 5346 1 17 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.232 0.386 25958 5347 1 17 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.473 0.196 25958 5348 1 17 . 1 1 10 10 VAL H H 10 9.193 9.193 8.064 1.129 25958 5349 1 17 . 1 1 11 11 ARG N N 11 127.433 127.433 124.222 3.211 25958 5350 1 17 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.724 -0.025 25958 5351 1 17 . 1 1 11 11 ARG C C 11 176.092 176.092 174.883 1.209 25958 5352 1 17 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.821 -0.454 25958 5353 1 17 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.540 0.065 25958 5354 1 17 . 1 1 11 11 ARG H H 11 9.053 9.053 8.696 0.357 25958 5355 1 17 . 1 1 12 12 GLY N N 12 115.279 115.279 112.635 2.644 25958 5356 1 17 . 1 1 12 12 GLY C C 12 173.823 173.823 173.649 0.174 25958 5357 1 17 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.524 -0.573 25958 5358 1 17 . 1 1 12 12 GLY H H 12 8.614 8.614 8.100 0.514 25958 5359 1 17 . 1 1 13 13 ARG N N 13 125.500 125.500 124.467 1.033 25958 5360 1 17 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.116 -0.264 25958 5361 1 17 . 1 1 13 13 ARG C C 13 177.793 177.793 177.746 0.047 25958 5362 1 17 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.917 0.287 25958 5363 1 17 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.297 -0.529 25958 5364 1 17 . 1 1 13 13 ARG H H 13 8.774 8.774 8.764 0.010 25958 5365 1 17 . 1 1 14 14 GLU N N 14 119.254 119.254 117.203 2.051 25958 5366 1 17 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.263 -0.181 25958 5367 1 17 . 1 1 14 14 GLU C C 14 179.794 179.794 178.681 1.113 25958 5368 1 17 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.764 0.598 25958 5369 1 17 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.048 0.911 25958 5370 1 17 . 1 1 14 14 GLU H H 14 8.888 8.888 8.879 0.009 25958 5371 1 17 . 1 1 15 15 THR N N 15 117.699 117.699 116.697 1.002 25958 5372 1 17 . 1 1 15 15 THR HA H 15 3.784 3.784 4.079 -0.295 25958 5373 1 17 . 1 1 15 15 THR C C 15 175.457 175.457 176.108 -0.651 25958 5374 1 17 . 1 1 15 15 THR CA C 15 66.498 66.498 66.861 -0.363 25958 5375 1 17 . 1 1 15 15 THR CB C 15 67.813 67.813 68.431 -0.618 25958 5376 1 17 . 1 1 15 15 THR H H 15 7.958 7.958 7.955 0.003 25958 5377 1 17 . 1 1 16 16 TYR N N 16 122.365 122.365 122.849 -0.484 25958 5378 1 17 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.017 -0.275 25958 5379 1 17 . 1 1 16 16 TYR C C 16 175.895 175.895 177.416 -1.521 25958 5380 1 17 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.428 1.668 25958 5381 1 17 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.802 0.422 25958 5382 1 17 . 1 1 16 16 TYR H H 16 8.042 8.042 8.681 -0.639 25958 5383 1 17 . 1 1 17 17 GLU N N 17 116.940 116.940 118.488 -1.548 25958 5384 1 17 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.702 0.125 25958 5385 1 17 . 1 1 17 17 GLU C C 17 179.448 179.448 179.178 0.270 25958 5386 1 17 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.653 0.226 25958 5387 1 17 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.182 0.063 25958 5388 1 17 . 1 1 17 17 GLU H H 17 8.713 8.713 8.240 0.473 25958 5389 1 17 . 1 1 18 18 MET N N 18 118.965 118.965 119.096 -0.131 25958 5390 1 17 . 1 1 18 18 MET HA H 18 4.291 4.291 4.177 0.114 25958 5391 1 17 . 1 1 18 18 MET C C 18 178.050 178.050 178.838 -0.788 25958 5392 1 17 . 1 1 18 18 MET CA C 18 58.815 58.815 59.207 -0.392 25958 5393 1 17 . 1 1 18 18 MET CB C 18 32.736 32.736 33.025 -0.289 25958 5394 1 17 . 1 1 18 18 MET H H 18 7.505 7.505 7.844 -0.339 25958 5395 1 17 . 1 1 19 19 LEU N N 19 117.499 117.499 121.060 -3.561 25958 5396 1 17 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.989 -0.166 25958 5397 1 17 . 1 1 19 19 LEU C C 19 178.443 178.443 178.891 -0.448 25958 5398 1 17 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.834 -1.273 25958 5399 1 17 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.411 0.344 25958 5400 1 17 . 1 1 19 19 LEU H H 19 8.151 8.151 8.288 -0.137 25958 5401 1 17 . 1 1 20 20 LEU N N 20 120.873 120.873 119.622 1.251 25958 5402 1 17 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.748 0.016 25958 5403 1 17 . 1 1 20 20 LEU C C 20 178.475 178.475 178.084 0.391 25958 5404 1 17 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.316 0.386 25958 5405 1 17 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.476 0.389 25958 5406 1 17 . 1 1 20 20 LEU H H 20 8.649 8.649 8.629 0.020 25958 5407 1 17 . 1 1 21 21 GLU N N 21 118.433 118.433 119.731 -1.298 25958 5408 1 17 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.906 0.155 25958 5409 1 17 . 1 1 21 21 GLU C C 21 179.572 179.572 179.062 0.510 25958 5410 1 17 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.752 -0.052 25958 5411 1 17 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.576 -0.282 25958 5412 1 17 . 1 1 21 21 GLU H H 21 7.379 7.379 7.811 -0.432 25958 5413 1 17 . 1 1 22 22 ILE N N 22 116.978 116.978 119.664 -2.686 25958 5414 1 17 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.758 -0.043 25958 5415 1 17 . 1 1 22 22 ILE C C 22 177.909 177.909 178.784 -0.875 25958 5416 1 17 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.996 -0.476 25958 5417 1 17 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.919 -0.007 25958 5418 1 17 . 1 1 22 22 ILE H H 22 7.649 7.649 8.218 -0.569 25958 5419 1 17 . 1 1 23 23 LYS N N 23 122.631 122.631 120.949 1.682 25958 5420 1 17 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.853 -0.145 25958 5421 1 17 . 1 1 23 23 LYS C C 23 177.322 177.322 178.721 -1.399 25958 5422 1 17 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.597 0.946 25958 5423 1 17 . 1 1 23 23 LYS CB C 23 32.495 32.495 31.960 0.535 25958 5424 1 17 . 1 1 23 23 LYS H H 23 9.094 9.094 8.235 0.859 25958 5425 1 17 . 1 1 24 24 GLU N N 24 117.756 117.756 118.651 -0.895 25958 5426 1 17 . 1 1 24 24 GLU HA H 24 4.241 4.241 4.047 0.194 25958 5427 1 17 . 1 1 24 24 GLU C C 24 177.755 177.755 179.088 -1.333 25958 5428 1 17 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.434 0.333 25958 5429 1 17 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.225 0.542 25958 5430 1 17 . 1 1 24 24 GLU H H 24 8.320 8.320 8.505 -0.185 25958 5431 1 17 . 1 1 25 25 SER N N 25 114.010 114.010 116.028 -2.018 25958 5432 1 17 . 1 1 25 25 SER HA H 25 4.174 4.174 4.139 0.035 25958 5433 1 17 . 1 1 25 25 SER C C 25 175.840 175.840 176.924 -1.084 25958 5434 1 17 . 1 1 25 25 SER CA C 25 62.272 62.272 61.881 0.391 25958 5435 1 17 . 1 1 25 25 SER CB C 25 63.277 63.277 62.589 0.688 25958 5436 1 17 . 1 1 25 25 SER H H 25 7.425 7.425 7.891 -0.466 25958 5437 1 17 . 1 1 26 26 LEU N N 26 122.202 122.202 123.306 -1.104 25958 5438 1 17 . 1 1 26 26 LEU HA H 26 4.045 4.045 3.940 0.105 25958 5439 1 17 . 1 1 26 26 LEU C C 26 180.418 180.418 178.878 1.540 25958 5440 1 17 . 1 1 26 26 LEU CA C 26 57.999 57.999 58.027 -0.028 25958 5441 1 17 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.730 0.980 25958 5442 1 17 . 1 1 26 26 LEU H H 26 7.625 7.625 7.723 -0.098 25958 5443 1 17 . 1 1 27 27 GLU N N 27 118.591 118.591 119.901 -1.310 25958 5444 1 17 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.930 0.149 25958 5445 1 17 . 1 1 27 27 GLU C C 27 180.128 180.128 179.413 0.715 25958 5446 1 17 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.681 -0.045 25958 5447 1 17 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.692 -0.135 25958 5448 1 17 . 1 1 27 27 GLU H H 27 8.593 8.593 7.909 0.684 25958 5449 1 17 . 1 1 28 28 LEU N N 28 119.793 119.793 120.480 -0.687 25958 5450 1 17 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.261 -0.294 25958 5451 1 17 . 1 1 28 28 LEU C C 28 178.567 178.567 179.145 -0.578 25958 5452 1 17 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.986 -0.697 25958 5453 1 17 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.394 0.453 25958 5454 1 17 . 1 1 28 28 LEU H H 28 8.468 8.468 8.655 -0.187 25958 5455 1 17 . 1 1 29 29 MET N N 29 115.804 115.804 118.990 -3.186 25958 5456 1 17 . 1 1 29 29 MET HA H 29 3.928 3.928 4.007 -0.079 25958 5457 1 17 . 1 1 29 29 MET C C 29 177.907 177.907 177.518 0.389 25958 5458 1 17 . 1 1 29 29 MET CA C 29 58.463 58.463 58.891 -0.428 25958 5459 1 17 . 1 1 29 29 MET CB C 29 33.047 33.047 32.461 0.586 25958 5460 1 17 . 1 1 29 29 MET H H 29 7.279 7.279 8.249 -0.970 25958 5461 1 17 . 1 1 30 30 GLN N N 30 114.048 114.048 116.407 -2.359 25958 5462 1 17 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.091 0.029 25958 5463 1 17 . 1 1 30 30 GLN C C 30 176.520 176.520 177.895 -1.375 25958 5464 1 17 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.007 -1.072 25958 5465 1 17 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.270 0.072 25958 5466 1 17 . 1 1 30 30 GLN H H 30 7.138 7.138 7.839 -0.701 25958 5467 1 17 . 1 1 31 31 TYR N N 31 117.000 117.000 118.903 -1.903 25958 5468 1 17 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.462 0.021 25958 5469 1 17 . 1 1 31 31 TYR C C 31 176.095 176.095 175.734 0.361 25958 5470 1 17 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.881 -1.456 25958 5471 1 17 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.623 -1.131 25958 5472 1 17 . 1 1 31 31 TYR H H 31 7.764 7.764 7.663 0.101 25958 5473 1 17 . 1 1 32 32 LEU N N 32 120.517 120.517 121.216 -0.699 25958 5474 1 17 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.886 -1.980 25958 5475 1 17 . 1 1 32 32 LEU C C 32 174.141 174.141 174.308 -0.167 25958 5476 1 17 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.399 0.938 25958 5477 1 17 . 1 1 32 32 LEU CB C 32 42.269 42.269 43.239 -0.970 25958 5478 1 17 . 1 1 32 32 LEU H H 32 7.368 7.368 7.758 -0.390 25958 5479 1 17 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.441 0.106 25958 5480 1 17 . 1 1 34 34 GLN CB C 34 32.286 32.286 31.229 1.057 25958 5481 1 17 . 1 1 35 35 HIS N N 35 124.090 124.090 120.977 3.113 25958 5482 1 17 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.359 0.113 25958 5483 1 17 . 1 1 35 35 HIS C C 35 177.836 177.836 177.387 0.449 25958 5484 1 17 . 1 1 35 35 HIS CA C 35 59.366 59.366 59.639 -0.273 25958 5485 1 17 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.309 0.203 25958 5486 1 17 . 1 1 35 35 HIS H H 35 8.869 8.869 8.856 0.013 25958 5487 1 17 . 1 1 36 36 THR N N 36 119.182 119.182 115.804 3.378 25958 5488 1 17 . 1 1 36 36 THR HA H 36 3.946 3.946 4.102 -0.156 25958 5489 1 17 . 1 1 36 36 THR C C 36 176.029 176.029 176.650 -0.621 25958 5490 1 17 . 1 1 36 36 THR CA C 36 66.606 66.606 66.982 -0.376 25958 5491 1 17 . 1 1 36 36 THR CB C 36 68.598 68.598 68.309 0.288 25958 5492 1 17 . 1 1 36 36 THR H H 36 7.138 7.138 8.333 -1.195 25958 5493 1 17 . 1 1 37 37 ILE N N 37 122.903 122.903 121.798 1.105 25958 5494 1 17 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.728 -0.166 25958 5495 1 17 . 1 1 37 37 ILE C C 37 177.685 177.685 177.655 0.030 25958 5496 1 17 . 1 1 37 37 ILE CA C 37 65.667 65.667 65.522 0.145 25958 5497 1 17 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.669 0.535 25958 5498 1 17 . 1 1 37 37 ILE H H 37 7.193 7.193 7.696 -0.503 25958 5499 1 17 . 1 1 38 38 GLU N N 38 118.719 118.719 120.128 -1.409 25958 5500 1 17 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.874 0.175 25958 5501 1 17 . 1 1 38 38 GLU C C 38 179.575 179.575 178.899 0.676 25958 5502 1 17 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.114 -0.369 25958 5503 1 17 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.606 -0.165 25958 5504 1 17 . 1 1 38 38 GLU H H 38 8.578 8.578 8.159 0.419 25958 5505 1 17 . 1 1 39 39 THR N N 39 116.297 116.297 117.026 -0.729 25958 5506 1 17 . 1 1 39 39 THR HA H 39 3.936 3.936 4.012 -0.076 25958 5507 1 17 . 1 1 39 39 THR C C 39 176.203 176.203 176.810 -0.607 25958 5508 1 17 . 1 1 39 39 THR CA C 39 66.989 66.989 66.998 -0.009 25958 5509 1 17 . 1 1 39 39 THR CB C 39 68.845 68.845 68.572 0.273 25958 5510 1 17 . 1 1 39 39 THR H H 39 8.124 8.124 8.341 -0.217 25958 5511 1 17 . 1 1 40 40 TYR N N 40 123.453 123.453 122.238 1.215 25958 5512 1 17 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.114 0.109 25958 5513 1 17 . 1 1 40 40 TYR C C 40 178.058 178.058 177.847 0.211 25958 5514 1 17 . 1 1 40 40 TYR CA C 40 61.902 61.902 62.271 -0.369 25958 5515 1 17 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.164 0.419 25958 5516 1 17 . 1 1 40 40 TYR H H 40 7.730 7.730 8.583 -0.853 25958 5517 1 17 . 1 1 41 41 ARG N N 41 119.944 119.944 118.809 1.135 25958 5518 1 17 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.864 -0.062 25958 5519 1 17 . 1 1 41 41 ARG C C 41 179.552 179.552 178.557 0.995 25958 5520 1 17 . 1 1 41 41 ARG CA C 41 60.487 60.487 60.034 0.453 25958 5521 1 17 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.029 0.049 25958 5522 1 17 . 1 1 41 41 ARG H H 41 8.635 8.635 8.562 0.073 25958 5523 1 17 . 1 1 42 42 GLN N N 42 119.455 119.455 119.112 0.343 25958 5524 1 17 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.961 0.122 25958 5525 1 17 . 1 1 42 42 GLN C C 42 178.700 178.700 178.559 0.141 25958 5526 1 17 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.430 -0.602 25958 5527 1 17 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.690 -0.338 25958 5528 1 17 . 1 1 42 42 GLN H H 42 8.225 8.225 8.248 -0.023 25958 5529 1 17 . 1 1 43 43 GLN N N 43 118.905 118.905 118.429 0.476 25958 5530 1 17 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.891 0.197 25958 5531 1 17 . 1 1 43 43 GLN C C 43 178.664 178.664 179.026 -0.362 25958 5532 1 17 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.882 -0.535 25958 5533 1 17 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.461 -0.282 25958 5534 1 17 . 1 1 43 43 GLN H H 43 7.894 7.894 8.382 -0.488 25958 5535 1 17 . 1 1 44 44 GLN N N 44 117.762 117.762 117.906 -0.144 25958 5536 1 17 . 1 1 44 44 GLN HA H 44 3.947 3.947 4.059 -0.112 25958 5537 1 17 . 1 1 44 44 GLN C C 44 178.320 178.320 178.736 -0.416 25958 5538 1 17 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.614 -1.329 25958 5539 1 17 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.437 -0.276 25958 5540 1 17 . 1 1 44 44 GLN H H 44 8.034 8.034 8.178 -0.144 25958 5541 1 17 . 1 1 45 45 GLN N N 45 119.382 119.382 120.823 -1.441 25958 5542 1 17 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.990 0.201 25958 5543 1 17 . 1 1 45 45 GLN C C 45 177.742 177.742 178.515 -0.773 25958 5544 1 17 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.996 -0.825 25958 5545 1 17 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.477 0.017 25958 5546 1 17 . 1 1 45 45 GLN H H 45 7.997 7.997 8.369 -0.372 25958 5547 1 17 . 1 1 46 46 GLN N N 46 118.664 118.664 118.747 -0.083 25958 5548 1 17 . 1 1 46 46 GLN HA H 46 4.196 4.196 4.039 0.157 25958 5549 1 17 . 1 1 46 46 GLN C C 46 177.540 177.540 178.055 -0.515 25958 5550 1 17 . 1 1 46 46 GLN CA C 46 57.685 57.685 59.038 -1.353 25958 5551 1 17 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.331 0.412 25958 5552 1 17 . 1 1 46 46 GLN H H 46 7.870 7.870 8.561 -0.691 25958 5553 1 17 . 1 1 47 47 GLN N N 47 118.622 118.622 120.032 -1.410 25958 5554 1 17 . 1 1 47 47 GLN C C 47 177.073 177.073 177.729 -0.656 25958 5555 1 17 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.423 -2.095 25958 5556 1 17 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.614 0.310 25958 5557 1 17 . 1 1 47 47 GLN H H 47 8.043 8.043 7.728 0.315 25958 5558 1 17 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.331 0.242 25958 5559 1 17 . 1 1 48 48 HIS C C 48 176.277 176.277 177.825 -1.548 25958 5560 1 17 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.531 -1.618 25958 5561 1 17 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.832 0.387 25958 5562 1 17 . 1 1 49 49 GLN N N 49 119.554 119.554 118.102 1.452 25958 5563 1 17 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.051 0.164 25958 5564 1 17 . 1 1 49 49 GLN C C 49 176.896 176.896 178.567 -1.671 25958 5565 1 17 . 1 1 49 49 GLN CA C 49 57.545 57.545 59.141 -1.596 25958 5566 1 17 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.851 0.023 25958 5567 1 17 . 1 1 49 49 GLN H H 49 8.117 8.117 7.944 0.173 25958 5568 1 17 . 1 1 50 50 HIS N N 50 118.665 118.665 120.563 -1.898 25958 5569 1 17 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.374 0.174 25958 5570 1 17 . 1 1 50 50 HIS C C 50 176.265 176.265 178.305 -2.040 25958 5571 1 17 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.780 -1.480 25958 5572 1 17 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.280 -0.091 25958 5573 1 17 . 1 1 50 50 HIS H H 50 8.138 8.138 8.434 -0.296 25958 5574 1 17 . 1 1 51 51 LEU N N 51 121.208 121.208 120.745 0.463 25958 5575 1 17 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.044 0.126 25958 5576 1 17 . 1 1 51 51 LEU C C 51 177.627 177.627 177.962 -0.335 25958 5577 1 17 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.446 -1.242 25958 5578 1 17 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.498 -0.354 25958 5579 1 17 . 1 1 51 51 LEU H H 51 7.809 7.809 8.379 -0.570 25958 5580 1 17 . 1 1 52 52 LEU N N 52 120.700 120.700 118.287 2.413 25958 5581 1 17 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.530 -0.352 25958 5582 1 17 . 1 1 52 52 LEU C C 52 177.799 177.799 175.279 2.520 25958 5583 1 17 . 1 1 52 52 LEU CA C 52 55.993 55.993 53.806 2.187 25958 5584 1 17 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.002 0.116 25958 5585 1 17 . 1 1 52 52 LEU H H 52 7.924 7.924 7.532 0.392 25958 5586 1 17 . 1 1 53 53 GLN N N 53 119.631 119.631 116.048 3.583 25958 5587 1 17 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.011 0.204 25958 5588 1 17 . 1 1 53 53 GLN C C 53 176.327 176.327 174.883 1.444 25958 5589 1 17 . 1 1 53 53 GLN CA C 53 56.492 56.492 57.012 -0.520 25958 5590 1 17 . 1 1 53 53 GLN CB C 53 29.202 29.202 25.742 3.460 25958 5591 1 17 . 1 1 53 53 GLN H H 53 7.986 7.986 7.476 0.510 25958 5592 1 17 . 1 1 54 54 LYS N N 54 121.278 121.278 119.725 1.553 25958 5593 1 17 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.645 -0.418 25958 5594 1 17 . 1 1 54 54 LYS C C 54 176.812 176.812 176.978 -0.166 25958 5595 1 17 . 1 1 54 54 LYS CA C 54 56.680 56.680 53.453 3.227 25958 5596 1 17 . 1 1 54 54 LYS CB C 54 32.898 32.898 33.801 -0.903 25958 5597 1 17 . 1 1 54 54 LYS H H 54 8.053 8.053 8.286 -0.233 25958 5598 1 17 . 1 1 55 55 GLN N N 55 120.539 120.539 123.947 -3.408 25958 5599 1 17 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.144 0.178 25958 5600 1 17 . 1 1 55 55 GLN C C 55 176.291 176.291 175.375 0.916 25958 5601 1 17 . 1 1 55 55 GLN CA C 55 56.199 56.199 57.553 -1.353 25958 5602 1 17 . 1 1 55 55 GLN CB C 55 29.392 29.392 26.481 2.911 25958 5603 1 17 . 1 1 55 55 GLN H H 55 8.249 8.249 8.810 -0.561 25958 5604 1 17 . 1 1 56 56 THR N N 56 114.334 114.334 114.272 0.062 25958 5605 1 17 . 1 1 56 56 THR HA H 56 4.347 4.347 4.414 -0.067 25958 5606 1 17 . 1 1 56 56 THR C C 56 174.526 174.526 174.329 0.197 25958 5607 1 17 . 1 1 56 56 THR CA C 56 62.075 62.075 61.102 0.973 25958 5608 1 17 . 1 1 56 56 THR CB C 56 69.852 69.852 69.473 0.379 25958 5609 1 17 . 1 1 56 56 THR H H 56 8.063 8.063 7.931 0.132 25958 5610 1 17 . 1 1 57 57 SER N N 57 117.856 117.856 117.849 0.007 25958 5611 1 17 . 1 1 57 57 SER HA H 57 4.502 4.502 3.917 0.585 25958 5612 1 17 . 1 1 57 57 SER C C 57 174.275 174.275 172.633 1.642 25958 5613 1 17 . 1 1 57 57 SER CA C 57 58.405 58.405 58.282 0.123 25958 5614 1 17 . 1 1 57 57 SER CB C 57 63.949 63.949 62.723 1.226 25958 5615 1 17 . 1 1 57 57 SER H H 57 8.163 8.163 8.227 -0.064 25958 5616 1 17 . 1 1 58 58 ILE N N 58 122.144 122.144 121.661 0.483 25958 5617 1 17 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.146 0.048 25958 5618 1 17 . 1 1 58 58 ILE C C 58 176.006 176.006 174.675 1.331 25958 5619 1 17 . 1 1 58 58 ILE CA C 58 61.275 61.275 60.108 1.167 25958 5620 1 17 . 1 1 58 58 ILE CB C 58 38.820 38.820 39.970 -1.150 25958 5621 1 17 . 1 1 58 58 ILE H H 58 8.049 8.049 7.219 0.830 25958 5622 1 17 . 1 1 59 59 GLN N N 59 124.842 124.842 125.344 -0.502 25958 5623 1 17 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.369 0.047 25958 5624 1 17 . 1 1 59 59 GLN C C 59 174.974 174.974 175.292 -0.318 25958 5625 1 17 . 1 1 59 59 GLN CA C 59 55.845 55.845 56.404 -0.559 25958 5626 1 17 . 1 1 59 59 GLN CB C 59 29.748 29.748 29.489 0.259 25958 5627 1 17 . 1 1 59 59 GLN H H 59 8.327 8.327 8.385 -0.058 25958 5628 1 18 . 1 1 2 2 ASP N N 2 121.276 121.276 123.942 -2.666 25958 5629 1 18 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.405 0.278 25958 5630 1 18 . 1 1 2 2 ASP C C 2 175.828 175.828 176.881 -1.053 25958 5631 1 18 . 1 1 2 2 ASP CA C 2 54.685 54.685 56.445 -1.760 25958 5632 1 18 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.768 0.206 25958 5633 1 18 . 1 1 2 2 ASP H H 2 8.555 8.555 8.711 -0.156 25958 5634 1 18 . 1 1 3 3 ASP N N 3 119.296 119.296 118.595 0.701 25958 5635 1 18 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.464 0.116 25958 5636 1 18 . 1 1 3 3 ASP C C 3 175.884 175.884 175.653 0.231 25958 5637 1 18 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.693 -0.574 25958 5638 1 18 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.847 0.458 25958 5639 1 18 . 1 1 3 3 ASP H H 3 8.004 8.004 8.617 -0.613 25958 5640 1 18 . 1 1 4 4 GLU N N 4 120.922 120.922 116.153 4.769 25958 5641 1 18 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.028 0.107 25958 5642 1 18 . 1 1 4 4 GLU C C 4 174.979 174.979 175.319 -0.340 25958 5643 1 18 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.429 0.442 25958 5644 1 18 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.957 0.823 25958 5645 1 18 . 1 1 4 4 GLU H H 4 7.945 7.945 7.763 0.182 25958 5646 1 18 . 1 1 5 5 LEU N N 5 124.551 124.551 122.838 1.713 25958 5647 1 18 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.193 0.346 25958 5648 1 18 . 1 1 5 5 LEU C C 5 175.305 175.305 175.481 -0.176 25958 5649 1 18 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.253 -0.382 25958 5650 1 18 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.308 1.533 25958 5651 1 18 . 1 1 5 5 LEU H H 5 8.042 8.042 8.235 -0.193 25958 5652 1 18 . 1 1 6 6 LEU N N 6 127.945 127.945 125.792 2.153 25958 5653 1 18 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.369 0.143 25958 5654 1 18 . 1 1 6 6 LEU C C 6 174.919 174.919 176.153 -1.234 25958 5655 1 18 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.234 -0.717 25958 5656 1 18 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.026 2.563 25958 5657 1 18 . 1 1 6 6 LEU H H 6 8.799 8.799 7.521 1.278 25958 5658 1 18 . 1 1 7 7 TYR N N 7 117.176 117.176 120.486 -3.310 25958 5659 1 18 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.728 0.429 25958 5660 1 18 . 1 1 7 7 TYR C C 7 175.335 175.335 175.141 0.194 25958 5661 1 18 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.518 -0.086 25958 5662 1 18 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.822 1.122 25958 5663 1 18 . 1 1 7 7 TYR H H 7 8.583 8.583 8.227 0.356 25958 5664 1 18 . 1 1 8 8 LEU N N 8 128.094 128.094 128.650 -0.556 25958 5665 1 18 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.901 0.251 25958 5666 1 18 . 1 1 8 8 LEU C C 8 173.946 173.946 174.687 -0.741 25958 5667 1 18 . 1 1 8 8 LEU CA C 8 51.618 51.618 51.646 -0.028 25958 5668 1 18 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.494 2.918 25958 5669 1 18 . 1 1 8 8 LEU H H 8 9.308 9.308 8.343 0.965 25958 5670 1 18 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.724 -0.197 25958 5671 1 18 . 1 1 9 9 PRO C C 9 176.758 176.758 175.663 1.095 25958 5672 1 18 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.877 -0.787 25958 5673 1 18 . 1 1 9 9 PRO CB C 9 31.873 31.873 32.017 -0.144 25958 5674 1 18 . 1 1 10 10 VAL N N 10 124.047 124.047 122.540 1.507 25958 5675 1 18 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.379 -0.170 25958 5676 1 18 . 1 1 10 10 VAL C C 10 173.446 173.446 174.817 -1.371 25958 5677 1 18 . 1 1 10 10 VAL CA C 10 61.618 61.618 60.910 0.708 25958 5678 1 18 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.052 0.617 25958 5679 1 18 . 1 1 10 10 VAL H H 10 9.193 9.193 8.019 1.174 25958 5680 1 18 . 1 1 11 11 ARG N N 11 127.433 127.433 124.292 3.141 25958 5681 1 18 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.724 -0.025 25958 5682 1 18 . 1 1 11 11 ARG C C 11 176.092 176.092 174.920 1.172 25958 5683 1 18 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.648 -0.281 25958 5684 1 18 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.398 0.207 25958 5685 1 18 . 1 1 11 11 ARG H H 11 9.053 9.053 8.692 0.361 25958 5686 1 18 . 1 1 12 12 GLY N N 12 115.279 115.279 112.102 3.177 25958 5687 1 18 . 1 1 12 12 GLY C C 12 173.823 173.823 174.161 -0.338 25958 5688 1 18 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.454 -0.503 25958 5689 1 18 . 1 1 12 12 GLY H H 12 8.614 8.614 8.119 0.495 25958 5690 1 18 . 1 1 13 13 ARG N N 13 125.500 125.500 123.882 1.618 25958 5691 1 18 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.143 -0.291 25958 5692 1 18 . 1 1 13 13 ARG C C 13 177.793 177.793 177.739 0.054 25958 5693 1 18 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.395 0.809 25958 5694 1 18 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.111 -0.344 25958 5695 1 18 . 1 1 13 13 ARG H H 13 8.774 8.774 8.712 0.062 25958 5696 1 18 . 1 1 14 14 GLU N N 14 119.254 119.254 118.080 1.174 25958 5697 1 18 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.452 -0.370 25958 5698 1 18 . 1 1 14 14 GLU C C 14 179.794 179.794 178.697 1.097 25958 5699 1 18 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.690 0.672 25958 5700 1 18 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.897 0.062 25958 5701 1 18 . 1 1 14 14 GLU H H 14 8.888 8.888 8.894 -0.006 25958 5702 1 18 . 1 1 15 15 THR N N 15 117.699 117.699 117.044 0.655 25958 5703 1 18 . 1 1 15 15 THR HA H 15 3.784 3.784 4.078 -0.294 25958 5704 1 18 . 1 1 15 15 THR C C 15 175.457 175.457 176.182 -0.725 25958 5705 1 18 . 1 1 15 15 THR CA C 15 66.498 66.498 66.529 -0.031 25958 5706 1 18 . 1 1 15 15 THR CB C 15 67.813 67.813 68.240 -0.427 25958 5707 1 18 . 1 1 15 15 THR H H 15 7.958 7.958 8.278 -0.320 25958 5708 1 18 . 1 1 16 16 TYR N N 16 122.365 122.365 122.300 0.065 25958 5709 1 18 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.059 -0.317 25958 5710 1 18 . 1 1 16 16 TYR C C 16 175.895 175.895 177.348 -1.453 25958 5711 1 18 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.141 1.955 25958 5712 1 18 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.921 0.303 25958 5713 1 18 . 1 1 16 16 TYR H H 16 8.042 8.042 8.241 -0.199 25958 5714 1 18 . 1 1 17 17 GLU N N 17 116.940 116.940 119.160 -2.220 25958 5715 1 18 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.799 0.028 25958 5716 1 18 . 1 1 17 17 GLU C C 17 179.448 179.448 178.859 0.589 25958 5717 1 18 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.916 -0.037 25958 5718 1 18 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.702 -0.457 25958 5719 1 18 . 1 1 17 17 GLU H H 17 8.713 8.713 8.098 0.615 25958 5720 1 18 . 1 1 18 18 MET N N 18 118.965 118.965 118.307 0.658 25958 5721 1 18 . 1 1 18 18 MET HA H 18 4.291 4.291 4.186 0.105 25958 5722 1 18 . 1 1 18 18 MET C C 18 178.050 178.050 178.241 -0.191 25958 5723 1 18 . 1 1 18 18 MET CA C 18 58.815 58.815 58.725 0.090 25958 5724 1 18 . 1 1 18 18 MET CB C 18 32.736 32.736 32.005 0.731 25958 5725 1 18 . 1 1 18 18 MET H H 18 7.505 7.505 8.196 -0.691 25958 5726 1 18 . 1 1 19 19 LEU N N 19 117.499 117.499 120.805 -3.306 25958 5727 1 18 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.929 -0.106 25958 5728 1 18 . 1 1 19 19 LEU C C 19 178.443 178.443 179.156 -0.713 25958 5729 1 18 . 1 1 19 19 LEU CA C 19 57.561 57.561 57.799 -0.238 25958 5730 1 18 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.487 0.268 25958 5731 1 18 . 1 1 19 19 LEU H H 19 8.151 8.151 8.046 0.105 25958 5732 1 18 . 1 1 20 20 LEU N N 20 120.873 120.873 119.528 1.345 25958 5733 1 18 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.704 0.060 25958 5734 1 18 . 1 1 20 20 LEU C C 20 178.475 178.475 179.155 -0.680 25958 5735 1 18 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.196 0.506 25958 5736 1 18 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.372 0.493 25958 5737 1 18 . 1 1 20 20 LEU H H 20 8.649 8.649 8.345 0.304 25958 5738 1 18 . 1 1 21 21 GLU N N 21 118.433 118.433 118.926 -0.493 25958 5739 1 18 . 1 1 21 21 GLU HA H 21 4.061 4.061 4.021 0.040 25958 5740 1 18 . 1 1 21 21 GLU C C 21 179.572 179.572 179.634 -0.062 25958 5741 1 18 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.161 0.539 25958 5742 1 18 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.197 0.097 25958 5743 1 18 . 1 1 21 21 GLU H H 21 7.379 7.379 8.013 -0.634 25958 5744 1 18 . 1 1 22 22 ILE N N 22 116.978 116.978 120.588 -3.610 25958 5745 1 18 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.671 0.044 25958 5746 1 18 . 1 1 22 22 ILE C C 22 177.909 177.909 177.985 -0.076 25958 5747 1 18 . 1 1 22 22 ILE CA C 22 64.520 64.520 65.309 -0.789 25958 5748 1 18 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.732 0.180 25958 5749 1 18 . 1 1 22 22 ILE H H 22 7.649 7.649 8.209 -0.560 25958 5750 1 18 . 1 1 23 23 LYS N N 23 122.631 122.631 121.088 1.543 25958 5751 1 18 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.879 -0.171 25958 5752 1 18 . 1 1 23 23 LYS C C 23 177.322 177.322 178.553 -1.231 25958 5753 1 18 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.979 0.564 25958 5754 1 18 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.269 0.226 25958 5755 1 18 . 1 1 23 23 LYS H H 23 9.094 9.094 8.351 0.743 25958 5756 1 18 . 1 1 24 24 GLU N N 24 117.756 117.756 119.208 -1.452 25958 5757 1 18 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.971 0.270 25958 5758 1 18 . 1 1 24 24 GLU C C 24 177.755 177.755 178.955 -1.200 25958 5759 1 18 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.463 0.304 25958 5760 1 18 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.400 0.367 25958 5761 1 18 . 1 1 24 24 GLU H H 24 8.320 8.320 8.344 -0.024 25958 5762 1 18 . 1 1 25 25 SER N N 25 114.010 114.010 115.621 -1.611 25958 5763 1 18 . 1 1 25 25 SER HA H 25 4.174 4.174 4.167 0.007 25958 5764 1 18 . 1 1 25 25 SER C C 25 175.840 175.840 176.619 -0.779 25958 5765 1 18 . 1 1 25 25 SER CA C 25 62.272 62.272 61.753 0.519 25958 5766 1 18 . 1 1 25 25 SER CB C 25 63.277 63.277 63.058 0.219 25958 5767 1 18 . 1 1 25 25 SER H H 25 7.425 7.425 8.275 -0.850 25958 5768 1 18 . 1 1 26 26 LEU N N 26 122.202 122.202 122.121 0.081 25958 5769 1 18 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.111 -0.066 25958 5770 1 18 . 1 1 26 26 LEU C C 26 180.418 180.418 178.611 1.807 25958 5771 1 18 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.852 0.147 25958 5772 1 18 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.132 1.578 25958 5773 1 18 . 1 1 26 26 LEU H H 26 7.625 7.625 7.908 -0.283 25958 5774 1 18 . 1 1 27 27 GLU N N 27 118.591 118.591 119.393 -0.802 25958 5775 1 18 . 1 1 27 27 GLU HA H 27 4.079 4.079 4.025 0.054 25958 5776 1 18 . 1 1 27 27 GLU C C 27 180.128 180.128 179.742 0.386 25958 5777 1 18 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.415 0.221 25958 5778 1 18 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.393 0.164 25958 5779 1 18 . 1 1 27 27 GLU H H 27 8.593 8.593 8.300 0.293 25958 5780 1 18 . 1 1 28 28 LEU N N 28 119.793 119.793 120.830 -1.037 25958 5781 1 18 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.256 -0.289 25958 5782 1 18 . 1 1 28 28 LEU C C 28 178.567 178.567 179.275 -0.708 25958 5783 1 18 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.629 -0.340 25958 5784 1 18 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.312 0.534 25958 5785 1 18 . 1 1 28 28 LEU H H 28 8.468 8.468 8.599 -0.131 25958 5786 1 18 . 1 1 29 29 MET N N 29 115.804 115.804 118.361 -2.557 25958 5787 1 18 . 1 1 29 29 MET HA H 29 3.928 3.928 4.026 -0.098 25958 5788 1 18 . 1 1 29 29 MET C C 29 177.907 177.907 177.899 0.008 25958 5789 1 18 . 1 1 29 29 MET CA C 29 58.463 58.463 58.109 0.354 25958 5790 1 18 . 1 1 29 29 MET CB C 29 33.047 33.047 31.990 1.057 25958 5791 1 18 . 1 1 29 29 MET H H 29 7.279 7.279 8.302 -1.023 25958 5792 1 18 . 1 1 30 30 GLN N N 30 114.048 114.048 116.621 -2.573 25958 5793 1 18 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.014 0.106 25958 5794 1 18 . 1 1 30 30 GLN C C 30 176.520 176.520 177.775 -1.255 25958 5795 1 18 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.024 -1.089 25958 5796 1 18 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.959 -0.617 25958 5797 1 18 . 1 1 30 30 GLN H H 30 7.138 7.138 8.144 -1.006 25958 5798 1 18 . 1 1 31 31 TYR N N 31 117.000 117.000 117.043 -0.043 25958 5799 1 18 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.401 0.082 25958 5800 1 18 . 1 1 31 31 TYR C C 31 176.095 176.095 176.670 -0.575 25958 5801 1 18 . 1 1 31 31 TYR CA C 31 58.425 58.425 60.534 -2.109 25958 5802 1 18 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.306 -0.814 25958 5803 1 18 . 1 1 31 31 TYR H H 31 7.764 7.764 7.526 0.238 25958 5804 1 18 . 1 1 32 32 LEU N N 32 120.517 120.517 120.596 -0.079 25958 5805 1 18 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.332 -1.426 25958 5806 1 18 . 1 1 32 32 LEU C C 32 174.141 174.141 175.331 -1.190 25958 5807 1 18 . 1 1 32 32 LEU CA C 32 52.337 52.337 54.337 -2.000 25958 5808 1 18 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.960 0.309 25958 5809 1 18 . 1 1 32 32 LEU H H 32 7.368 7.368 8.073 -0.705 25958 5810 1 18 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.260 0.287 25958 5811 1 18 . 1 1 34 34 GLN CB C 34 32.286 32.286 27.944 4.342 25958 5812 1 18 . 1 1 35 35 HIS N N 35 124.090 124.090 120.266 3.824 25958 5813 1 18 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.249 0.223 25958 5814 1 18 . 1 1 35 35 HIS C C 35 177.836 177.836 177.380 0.456 25958 5815 1 18 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.792 -1.426 25958 5816 1 18 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.707 -0.195 25958 5817 1 18 . 1 1 35 35 HIS H H 35 8.869 8.869 8.460 0.409 25958 5818 1 18 . 1 1 36 36 THR N N 36 119.182 119.182 114.326 4.856 25958 5819 1 18 . 1 1 36 36 THR HA H 36 3.946 3.946 3.951 -0.005 25958 5820 1 18 . 1 1 36 36 THR C C 36 176.029 176.029 176.208 -0.179 25958 5821 1 18 . 1 1 36 36 THR CA C 36 66.606 66.606 66.559 0.047 25958 5822 1 18 . 1 1 36 36 THR CB C 36 68.598 68.598 68.233 0.366 25958 5823 1 18 . 1 1 36 36 THR H H 36 7.138 7.138 8.571 -1.433 25958 5824 1 18 . 1 1 37 37 ILE N N 37 122.903 122.903 121.382 1.521 25958 5825 1 18 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.840 -0.278 25958 5826 1 18 . 1 1 37 37 ILE C C 37 177.685 177.685 177.481 0.204 25958 5827 1 18 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.740 0.927 25958 5828 1 18 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.613 0.591 25958 5829 1 18 . 1 1 37 37 ILE H H 37 7.193 7.193 7.825 -0.632 25958 5830 1 18 . 1 1 38 38 GLU N N 38 118.719 118.719 120.160 -1.441 25958 5831 1 18 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.965 0.084 25958 5832 1 18 . 1 1 38 38 GLU C C 38 179.575 179.575 179.120 0.455 25958 5833 1 18 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.215 -0.470 25958 5834 1 18 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.640 -0.199 25958 5835 1 18 . 1 1 38 38 GLU H H 38 8.578 8.578 8.470 0.108 25958 5836 1 18 . 1 1 39 39 THR N N 39 116.297 116.297 115.987 0.310 25958 5837 1 18 . 1 1 39 39 THR HA H 39 3.936 3.936 3.973 -0.037 25958 5838 1 18 . 1 1 39 39 THR C C 39 176.203 176.203 176.289 -0.086 25958 5839 1 18 . 1 1 39 39 THR CA C 39 66.989 66.989 66.764 0.224 25958 5840 1 18 . 1 1 39 39 THR CB C 39 68.845 68.845 68.514 0.330 25958 5841 1 18 . 1 1 39 39 THR H H 39 8.124 8.124 7.944 0.180 25958 5842 1 18 . 1 1 40 40 TYR N N 40 123.453 123.453 123.771 -0.318 25958 5843 1 18 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.113 0.110 25958 5844 1 18 . 1 1 40 40 TYR C C 40 178.058 178.058 177.482 0.576 25958 5845 1 18 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.379 0.523 25958 5846 1 18 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.360 0.223 25958 5847 1 18 . 1 1 40 40 TYR H H 40 7.730 7.730 8.303 -0.573 25958 5848 1 18 . 1 1 41 41 ARG N N 41 119.944 119.944 118.695 1.249 25958 5849 1 18 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.832 -0.030 25958 5850 1 18 . 1 1 41 41 ARG C C 41 179.552 179.552 179.063 0.489 25958 5851 1 18 . 1 1 41 41 ARG CA C 41 60.487 60.487 58.185 2.301 25958 5852 1 18 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.467 0.611 25958 5853 1 18 . 1 1 41 41 ARG H H 41 8.635 8.635 8.486 0.149 25958 5854 1 18 . 1 1 42 42 GLN N N 42 119.455 119.455 119.532 -0.077 25958 5855 1 18 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.998 0.085 25958 5856 1 18 . 1 1 42 42 GLN C C 42 178.700 178.700 178.552 0.148 25958 5857 1 18 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.303 -0.475 25958 5858 1 18 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.402 -0.050 25958 5859 1 18 . 1 1 42 42 GLN H H 42 8.225 8.225 8.089 0.136 25958 5860 1 18 . 1 1 43 43 GLN N N 43 118.905 118.905 118.008 0.897 25958 5861 1 18 . 1 1 43 43 GLN HA H 43 4.088 4.088 4.114 -0.026 25958 5862 1 18 . 1 1 43 43 GLN C C 43 178.664 178.664 178.712 -0.048 25958 5863 1 18 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.192 0.155 25958 5864 1 18 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.103 0.076 25958 5865 1 18 . 1 1 43 43 GLN H H 43 7.894 7.894 7.979 -0.085 25958 5866 1 18 . 1 1 44 44 GLN N N 44 117.762 117.762 119.891 -2.129 25958 5867 1 18 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.773 0.174 25958 5868 1 18 . 1 1 44 44 GLN C C 44 178.320 178.320 178.041 0.279 25958 5869 1 18 . 1 1 44 44 GLN CA C 44 57.285 57.285 59.053 -1.768 25958 5870 1 18 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.302 -0.141 25958 5871 1 18 . 1 1 44 44 GLN H H 44 8.034 8.034 8.086 -0.052 25958 5872 1 18 . 1 1 45 45 GLN N N 45 119.382 119.382 118.822 0.560 25958 5873 1 18 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.061 0.130 25958 5874 1 18 . 1 1 45 45 GLN C C 45 177.742 177.742 178.728 -0.986 25958 5875 1 18 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.115 0.056 25958 5876 1 18 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.480 0.013 25958 5877 1 18 . 1 1 45 45 GLN H H 45 7.997 7.997 7.588 0.409 25958 5878 1 18 . 1 1 46 46 GLN N N 46 118.664 118.664 119.382 -0.718 25958 5879 1 18 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.710 0.486 25958 5880 1 18 . 1 1 46 46 GLN C C 46 177.540 177.540 178.117 -0.577 25958 5881 1 18 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.931 -1.246 25958 5882 1 18 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.274 0.469 25958 5883 1 18 . 1 1 46 46 GLN H H 46 7.870 7.870 8.431 -0.561 25958 5884 1 18 . 1 1 47 47 GLN N N 47 118.622 118.622 117.968 0.654 25958 5885 1 18 . 1 1 47 47 GLN C C 47 177.073 177.073 178.613 -1.540 25958 5886 1 18 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.943 -1.615 25958 5887 1 18 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.504 0.421 25958 5888 1 18 . 1 1 47 47 GLN H H 47 8.043 8.043 7.788 0.255 25958 5889 1 18 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.247 0.326 25958 5890 1 18 . 1 1 48 48 HIS C C 48 176.277 176.277 178.199 -1.922 25958 5891 1 18 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.800 -1.887 25958 5892 1 18 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.528 0.691 25958 5893 1 18 . 1 1 49 49 GLN N N 49 119.554 119.554 117.622 1.932 25958 5894 1 18 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.066 0.149 25958 5895 1 18 . 1 1 49 49 GLN C C 49 176.896 176.896 178.008 -1.112 25958 5896 1 18 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.159 -0.614 25958 5897 1 18 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.277 0.597 25958 5898 1 18 . 1 1 49 49 GLN H H 49 8.117 8.117 7.471 0.646 25958 5899 1 18 . 1 1 50 50 HIS N N 50 118.665 118.665 118.014 0.651 25958 5900 1 18 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.275 0.273 25958 5901 1 18 . 1 1 50 50 HIS C C 50 176.265 176.265 178.019 -1.754 25958 5902 1 18 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.129 -0.829 25958 5903 1 18 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.984 0.205 25958 5904 1 18 . 1 1 50 50 HIS H H 50 8.138 8.138 8.122 0.016 25958 5905 1 18 . 1 1 51 51 LEU N N 51 121.208 121.208 120.564 0.644 25958 5906 1 18 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.115 0.055 25958 5907 1 18 . 1 1 51 51 LEU C C 51 177.627 177.627 178.072 -0.445 25958 5908 1 18 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.792 -1.589 25958 5909 1 18 . 1 1 51 51 LEU CB C 51 42.144 42.144 41.996 0.148 25958 5910 1 18 . 1 1 51 51 LEU H H 51 7.809 7.809 7.937 -0.128 25958 5911 1 18 . 1 1 52 52 LEU N N 52 120.700 120.700 116.797 3.903 25958 5912 1 18 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.254 -0.076 25958 5913 1 18 . 1 1 52 52 LEU C C 52 177.799 177.799 176.455 1.344 25958 5914 1 18 . 1 1 52 52 LEU CA C 52 55.993 55.993 54.198 1.795 25958 5915 1 18 . 1 1 52 52 LEU CB C 52 42.118 42.118 41.583 0.535 25958 5916 1 18 . 1 1 52 52 LEU H H 52 7.924 7.924 7.259 0.665 25958 5917 1 18 . 1 1 53 53 GLN N N 53 119.631 119.631 118.102 1.529 25958 5918 1 18 . 1 1 53 53 GLN HA H 53 4.215 4.215 3.945 0.270 25958 5919 1 18 . 1 1 53 53 GLN C C 53 176.327 176.327 176.443 -0.116 25958 5920 1 18 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.672 -0.180 25958 5921 1 18 . 1 1 53 53 GLN CB C 53 29.202 29.202 26.988 2.215 25958 5922 1 18 . 1 1 53 53 GLN H H 53 7.986 7.986 7.593 0.393 25958 5923 1 18 . 1 1 54 54 LYS N N 54 121.278 121.278 123.459 -2.181 25958 5924 1 18 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.288 -0.061 25958 5925 1 18 . 1 1 54 54 LYS C C 54 176.812 176.812 176.119 0.693 25958 5926 1 18 . 1 1 54 54 LYS CA C 54 56.680 56.680 54.776 1.904 25958 5927 1 18 . 1 1 54 54 LYS CB C 54 32.898 32.898 30.132 2.766 25958 5928 1 18 . 1 1 54 54 LYS H H 54 8.053 8.053 8.643 -0.590 25958 5929 1 18 . 1 1 55 55 GLN N N 55 120.539 120.539 119.076 1.463 25958 5930 1 18 . 1 1 55 55 GLN HA H 55 4.322 4.322 3.937 0.385 25958 5931 1 18 . 1 1 55 55 GLN C C 55 176.291 176.291 175.394 0.897 25958 5932 1 18 . 1 1 55 55 GLN CA C 55 56.199 56.199 56.520 -0.321 25958 5933 1 18 . 1 1 55 55 GLN CB C 55 29.392 29.392 28.162 1.230 25958 5934 1 18 . 1 1 55 55 GLN H H 55 8.249 8.249 8.016 0.233 25958 5935 1 18 . 1 1 56 56 THR N N 56 114.334 114.334 115.530 -1.196 25958 5936 1 18 . 1 1 56 56 THR HA H 56 4.347 4.347 4.296 0.051 25958 5937 1 18 . 1 1 56 56 THR C C 56 174.526 174.526 174.371 0.155 25958 5938 1 18 . 1 1 56 56 THR CA C 56 62.075 62.075 63.234 -1.159 25958 5939 1 18 . 1 1 56 56 THR CB C 56 69.852 69.852 66.975 2.877 25958 5940 1 18 . 1 1 56 56 THR H H 56 8.063 8.063 8.335 -0.272 25958 5941 1 18 . 1 1 57 57 SER N N 57 117.856 117.856 117.078 0.778 25958 5942 1 18 . 1 1 57 57 SER HA H 57 4.502 4.502 4.662 -0.160 25958 5943 1 18 . 1 1 57 57 SER C C 57 174.275 174.275 172.923 1.352 25958 5944 1 18 . 1 1 57 57 SER CA C 57 58.405 58.405 58.671 -0.266 25958 5945 1 18 . 1 1 57 57 SER CB C 57 63.949 63.949 64.411 -0.462 25958 5946 1 18 . 1 1 57 57 SER H H 57 8.163 8.163 7.970 0.193 25958 5947 1 18 . 1 1 58 58 ILE N N 58 122.144 122.144 124.170 -2.026 25958 5948 1 18 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.606 -0.412 25958 5949 1 18 . 1 1 58 58 ILE C C 58 176.006 176.006 173.625 2.381 25958 5950 1 18 . 1 1 58 58 ILE CA C 58 61.275 61.275 60.935 0.340 25958 5951 1 18 . 1 1 58 58 ILE CB C 58 38.820 38.820 40.254 -1.434 25958 5952 1 18 . 1 1 58 58 ILE H H 58 8.049 8.049 8.380 -0.331 25958 5953 1 18 . 1 1 59 59 GLN N N 59 124.842 124.842 123.863 0.979 25958 5954 1 18 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.987 -0.571 25958 5955 1 18 . 1 1 59 59 GLN C C 59 174.974 174.974 173.988 0.986 25958 5956 1 18 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.262 0.583 25958 5957 1 18 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.142 -1.394 25958 5958 1 18 . 1 1 59 59 GLN H H 59 8.327 8.327 8.940 -0.613 25958 5959 1 19 . 1 1 2 2 ASP N N 2 121.276 121.276 121.180 0.096 25958 5960 1 19 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.684 -0.001 25958 5961 1 19 . 1 1 2 2 ASP C C 2 175.828 175.828 175.931 -0.103 25958 5962 1 19 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.741 -1.056 25958 5963 1 19 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.868 0.106 25958 5964 1 19 . 1 1 2 2 ASP H H 2 8.555 8.555 8.671 -0.116 25958 5965 1 19 . 1 1 3 3 ASP N N 3 119.296 119.296 118.756 0.540 25958 5966 1 19 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.658 -0.078 25958 5967 1 19 . 1 1 3 3 ASP C C 3 175.884 175.884 175.259 0.625 25958 5968 1 19 . 1 1 3 3 ASP CA C 3 54.119 54.119 53.852 0.267 25958 5969 1 19 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.195 0.110 25958 5970 1 19 . 1 1 3 3 ASP H H 3 8.004 8.004 8.021 -0.017 25958 5971 1 19 . 1 1 4 4 GLU N N 4 120.922 120.922 120.281 0.641 25958 5972 1 19 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.498 -0.363 25958 5973 1 19 . 1 1 4 4 GLU C C 4 174.979 174.979 175.597 -0.618 25958 5974 1 19 . 1 1 4 4 GLU CA C 4 56.871 56.871 55.542 1.329 25958 5975 1 19 . 1 1 4 4 GLU CB C 4 30.780 30.780 30.566 0.214 25958 5976 1 19 . 1 1 4 4 GLU H H 4 7.945 7.945 7.598 0.347 25958 5977 1 19 . 1 1 5 5 LEU N N 5 124.551 124.551 126.516 -1.965 25958 5978 1 19 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.354 0.185 25958 5979 1 19 . 1 1 5 5 LEU C C 5 175.305 175.305 176.072 -0.767 25958 5980 1 19 . 1 1 5 5 LEU CA C 5 54.871 54.871 55.014 -0.143 25958 5981 1 19 . 1 1 5 5 LEU CB C 5 42.841 42.841 42.530 0.311 25958 5982 1 19 . 1 1 5 5 LEU H H 5 8.042 8.042 8.483 -0.441 25958 5983 1 19 . 1 1 6 6 LEU N N 6 127.945 127.945 126.799 1.146 25958 5984 1 19 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.684 -0.172 25958 5985 1 19 . 1 1 6 6 LEU C C 6 174.919 174.919 175.474 -0.555 25958 5986 1 19 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.476 0.041 25958 5987 1 19 . 1 1 6 6 LEU CB C 6 45.589 45.589 44.378 1.211 25958 5988 1 19 . 1 1 6 6 LEU H H 6 8.799 8.799 8.049 0.750 25958 5989 1 19 . 1 1 7 7 TYR N N 7 117.176 117.176 120.337 -3.161 25958 5990 1 19 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.883 0.274 25958 5991 1 19 . 1 1 7 7 TYR C C 7 175.335 175.335 174.588 0.747 25958 5992 1 19 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.155 0.277 25958 5993 1 19 . 1 1 7 7 TYR CB C 7 40.944 40.944 41.060 -0.116 25958 5994 1 19 . 1 1 7 7 TYR H H 7 8.583 8.583 8.308 0.275 25958 5995 1 19 . 1 1 8 8 LEU N N 8 128.094 128.094 126.672 1.422 25958 5996 1 19 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.866 0.286 25958 5997 1 19 . 1 1 8 8 LEU C C 8 173.946 173.946 174.651 -0.705 25958 5998 1 19 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.693 -1.075 25958 5999 1 19 . 1 1 8 8 LEU CB C 8 45.412 45.412 43.123 2.289 25958 6000 1 19 . 1 1 8 8 LEU H H 8 9.308 9.308 8.687 0.621 25958 6001 1 19 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.813 -0.286 25958 6002 1 19 . 1 1 9 9 PRO C C 9 176.758 176.758 175.834 0.924 25958 6003 1 19 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.834 -0.744 25958 6004 1 19 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.898 -0.025 25958 6005 1 19 . 1 1 10 10 VAL N N 10 124.047 124.047 124.011 0.036 25958 6006 1 19 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.390 -0.181 25958 6007 1 19 . 1 1 10 10 VAL C C 10 173.446 173.446 174.885 -1.439 25958 6008 1 19 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.319 0.298 25958 6009 1 19 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.093 0.576 25958 6010 1 19 . 1 1 10 10 VAL H H 10 9.193 9.193 8.197 0.996 25958 6011 1 19 . 1 1 11 11 ARG N N 11 127.433 127.433 124.584 2.849 25958 6012 1 19 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.722 -0.023 25958 6013 1 19 . 1 1 11 11 ARG C C 11 176.092 176.092 175.191 0.901 25958 6014 1 19 . 1 1 11 11 ARG CA C 11 55.367 55.367 56.134 -0.767 25958 6015 1 19 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.713 -0.108 25958 6016 1 19 . 1 1 11 11 ARG H H 11 9.053 9.053 8.682 0.371 25958 6017 1 19 . 1 1 12 12 GLY N N 12 115.279 115.279 112.514 2.765 25958 6018 1 19 . 1 1 12 12 GLY C C 12 173.823 173.823 174.113 -0.290 25958 6019 1 19 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.302 -0.351 25958 6020 1 19 . 1 1 12 12 GLY H H 12 8.614 8.614 8.310 0.304 25958 6021 1 19 . 1 1 13 13 ARG N N 13 125.500 125.500 123.282 2.218 25958 6022 1 19 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.162 -0.310 25958 6023 1 19 . 1 1 13 13 ARG C C 13 177.793 177.793 177.575 0.218 25958 6024 1 19 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.567 0.637 25958 6025 1 19 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.199 -0.432 25958 6026 1 19 . 1 1 13 13 ARG H H 13 8.774 8.774 8.840 -0.066 25958 6027 1 19 . 1 1 14 14 GLU N N 14 119.254 119.254 118.149 1.105 25958 6028 1 19 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.252 -0.170 25958 6029 1 19 . 1 1 14 14 GLU C C 14 179.794 179.794 178.683 1.111 25958 6030 1 19 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.816 0.546 25958 6031 1 19 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.872 0.087 25958 6032 1 19 . 1 1 14 14 GLU H H 14 8.888 8.888 8.914 -0.026 25958 6033 1 19 . 1 1 15 15 THR N N 15 117.699 117.699 116.786 0.913 25958 6034 1 19 . 1 1 15 15 THR HA H 15 3.784 3.784 4.090 -0.306 25958 6035 1 19 . 1 1 15 15 THR C C 15 175.457 175.457 176.342 -0.885 25958 6036 1 19 . 1 1 15 15 THR CA C 15 66.498 66.498 66.062 0.436 25958 6037 1 19 . 1 1 15 15 THR CB C 15 67.813 67.813 68.340 -0.527 25958 6038 1 19 . 1 1 15 15 THR H H 15 7.958 7.958 8.213 -0.255 25958 6039 1 19 . 1 1 16 16 TYR N N 16 122.365 122.365 122.654 -0.289 25958 6040 1 19 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.009 -0.267 25958 6041 1 19 . 1 1 16 16 TYR C C 16 175.895 175.895 177.543 -1.648 25958 6042 1 19 . 1 1 16 16 TYR CA C 16 63.096 63.096 62.144 0.952 25958 6043 1 19 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.563 0.661 25958 6044 1 19 . 1 1 16 16 TYR H H 16 8.042 8.042 8.389 -0.347 25958 6045 1 19 . 1 1 17 17 GLU N N 17 116.940 116.940 118.704 -1.764 25958 6046 1 19 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.930 -0.103 25958 6047 1 19 . 1 1 17 17 GLU C C 17 179.448 179.448 179.103 0.345 25958 6048 1 19 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.486 0.393 25958 6049 1 19 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.268 -0.023 25958 6050 1 19 . 1 1 17 17 GLU H H 17 8.713 8.713 7.950 0.763 25958 6051 1 19 . 1 1 18 18 MET N N 18 118.965 118.965 119.689 -0.724 25958 6052 1 19 . 1 1 18 18 MET HA H 18 4.291 4.291 4.214 0.077 25958 6053 1 19 . 1 1 18 18 MET C C 18 178.050 178.050 178.452 -0.402 25958 6054 1 19 . 1 1 18 18 MET CA C 18 58.815 58.815 57.809 1.006 25958 6055 1 19 . 1 1 18 18 MET CB C 18 32.736 32.736 32.476 0.260 25958 6056 1 19 . 1 1 18 18 MET H H 18 7.505 7.505 8.016 -0.511 25958 6057 1 19 . 1 1 19 19 LEU N N 19 117.499 117.499 121.331 -3.832 25958 6058 1 19 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.972 -0.149 25958 6059 1 19 . 1 1 19 19 LEU C C 19 178.443 178.443 178.946 -0.503 25958 6060 1 19 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.311 -0.750 25958 6061 1 19 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.635 0.120 25958 6062 1 19 . 1 1 19 19 LEU H H 19 8.151 8.151 8.352 -0.201 25958 6063 1 19 . 1 1 20 20 LEU N N 20 120.873 120.873 119.084 1.789 25958 6064 1 19 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.734 0.030 25958 6065 1 19 . 1 1 20 20 LEU C C 20 178.475 178.475 178.346 0.129 25958 6066 1 19 . 1 1 20 20 LEU CA C 20 58.702 58.702 57.925 0.777 25958 6067 1 19 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.420 0.445 25958 6068 1 19 . 1 1 20 20 LEU H H 20 8.649 8.649 8.275 0.374 25958 6069 1 19 . 1 1 21 21 GLU N N 21 118.433 118.433 120.196 -1.763 25958 6070 1 19 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.964 0.097 25958 6071 1 19 . 1 1 21 21 GLU C C 21 179.572 179.572 179.353 0.219 25958 6072 1 19 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.602 0.097 25958 6073 1 19 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.670 -0.376 25958 6074 1 19 . 1 1 21 21 GLU H H 21 7.379 7.379 8.341 -0.962 25958 6075 1 19 . 1 1 22 22 ILE N N 22 116.978 116.978 118.723 -1.745 25958 6076 1 19 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.991 -0.276 25958 6077 1 19 . 1 1 22 22 ILE C C 22 177.909 177.909 178.268 -0.359 25958 6078 1 19 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.471 0.049 25958 6079 1 19 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.977 -0.065 25958 6080 1 19 . 1 1 22 22 ILE H H 22 7.649 7.649 8.448 -0.799 25958 6081 1 19 . 1 1 23 23 LYS N N 23 122.631 122.631 120.981 1.650 25958 6082 1 19 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.971 -0.263 25958 6083 1 19 . 1 1 23 23 LYS C C 23 177.322 177.322 178.345 -1.023 25958 6084 1 19 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.564 0.979 25958 6085 1 19 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.049 0.446 25958 6086 1 19 . 1 1 23 23 LYS H H 23 9.094 9.094 7.638 1.456 25958 6087 1 19 . 1 1 24 24 GLU N N 24 117.756 117.756 120.158 -2.402 25958 6088 1 19 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.979 0.262 25958 6089 1 19 . 1 1 24 24 GLU C C 24 177.755 177.755 178.748 -0.993 25958 6090 1 19 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.972 -0.205 25958 6091 1 19 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.752 0.015 25958 6092 1 19 . 1 1 24 24 GLU H H 24 8.320 8.320 8.696 -0.376 25958 6093 1 19 . 1 1 25 25 SER N N 25 114.010 114.010 115.649 -1.639 25958 6094 1 19 . 1 1 25 25 SER HA H 25 4.174 4.174 4.131 0.043 25958 6095 1 19 . 1 1 25 25 SER C C 25 175.840 175.840 176.810 -0.970 25958 6096 1 19 . 1 1 25 25 SER CA C 25 62.272 62.272 62.022 0.250 25958 6097 1 19 . 1 1 25 25 SER CB C 25 63.277 63.277 62.772 0.505 25958 6098 1 19 . 1 1 25 25 SER H H 25 7.425 7.425 8.143 -0.718 25958 6099 1 19 . 1 1 26 26 LEU N N 26 122.202 122.202 123.794 -1.592 25958 6100 1 19 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.040 0.005 25958 6101 1 19 . 1 1 26 26 LEU C C 26 180.418 180.418 178.140 2.278 25958 6102 1 19 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.727 0.272 25958 6103 1 19 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.828 0.882 25958 6104 1 19 . 1 1 26 26 LEU H H 26 7.625 7.625 7.775 -0.150 25958 6105 1 19 . 1 1 27 27 GLU N N 27 118.591 118.591 119.914 -1.323 25958 6106 1 19 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.951 0.128 25958 6107 1 19 . 1 1 27 27 GLU C C 27 180.128 180.128 179.438 0.690 25958 6108 1 19 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.729 -0.093 25958 6109 1 19 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.748 -0.191 25958 6110 1 19 . 1 1 27 27 GLU H H 27 8.593 8.593 8.253 0.340 25958 6111 1 19 . 1 1 28 28 LEU N N 28 119.793 119.793 120.285 -0.492 25958 6112 1 19 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.190 -0.223 25958 6113 1 19 . 1 1 28 28 LEU C C 28 178.567 178.567 179.148 -0.581 25958 6114 1 19 . 1 1 28 28 LEU CA C 28 57.289 57.289 58.025 -0.736 25958 6115 1 19 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.303 0.544 25958 6116 1 19 . 1 1 28 28 LEU H H 28 8.468 8.468 8.563 -0.095 25958 6117 1 19 . 1 1 29 29 MET N N 29 115.804 115.804 118.289 -2.485 25958 6118 1 19 . 1 1 29 29 MET HA H 29 3.928 3.928 4.139 -0.211 25958 6119 1 19 . 1 1 29 29 MET C C 29 177.907 177.907 178.096 -0.189 25958 6120 1 19 . 1 1 29 29 MET CA C 29 58.463 58.463 58.175 0.288 25958 6121 1 19 . 1 1 29 29 MET CB C 29 33.047 33.047 32.275 0.772 25958 6122 1 19 . 1 1 29 29 MET H H 29 7.279 7.279 8.412 -1.133 25958 6123 1 19 . 1 1 30 30 GLN N N 30 114.048 114.048 115.969 -1.921 25958 6124 1 19 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.129 -0.009 25958 6125 1 19 . 1 1 30 30 GLN C C 30 176.520 176.520 177.053 -0.533 25958 6126 1 19 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.069 -1.134 25958 6127 1 19 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.500 -0.159 25958 6128 1 19 . 1 1 30 30 GLN H H 30 7.138 7.138 8.508 -1.370 25958 6129 1 19 . 1 1 31 31 TYR N N 31 117.000 117.000 121.931 -4.931 25958 6130 1 19 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.389 0.094 25958 6131 1 19 . 1 1 31 31 TYR C C 31 176.095 176.095 175.676 0.419 25958 6132 1 19 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.154 -0.729 25958 6133 1 19 . 1 1 31 31 TYR CB C 31 38.492 38.492 40.032 -1.540 25958 6134 1 19 . 1 1 31 31 TYR H H 31 7.764 7.764 7.594 0.170 25958 6135 1 19 . 1 1 32 32 LEU N N 32 120.517 120.517 115.526 4.991 25958 6136 1 19 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.865 -1.959 25958 6137 1 19 . 1 1 32 32 LEU C C 32 174.141 174.141 174.795 -0.654 25958 6138 1 19 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.708 0.630 25958 6139 1 19 . 1 1 32 32 LEU CB C 32 42.269 42.269 41.882 0.387 25958 6140 1 19 . 1 1 32 32 LEU H H 32 7.368 7.368 8.285 -0.917 25958 6141 1 19 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.293 0.254 25958 6142 1 19 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.553 2.733 25958 6143 1 19 . 1 1 35 35 HIS N N 35 124.090 124.090 121.258 2.832 25958 6144 1 19 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.175 0.297 25958 6145 1 19 . 1 1 35 35 HIS C C 35 177.836 177.836 177.369 0.467 25958 6146 1 19 . 1 1 35 35 HIS CA C 35 59.366 59.366 61.146 -1.780 25958 6147 1 19 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.991 -0.480 25958 6148 1 19 . 1 1 35 35 HIS H H 35 8.869 8.869 8.803 0.066 25958 6149 1 19 . 1 1 36 36 THR N N 36 119.182 119.182 113.783 5.399 25958 6150 1 19 . 1 1 36 36 THR HA H 36 3.946 3.946 4.078 -0.132 25958 6151 1 19 . 1 1 36 36 THR C C 36 176.029 176.029 176.844 -0.815 25958 6152 1 19 . 1 1 36 36 THR CA C 36 66.606 66.606 66.420 0.186 25958 6153 1 19 . 1 1 36 36 THR CB C 36 68.598 68.598 68.126 0.472 25958 6154 1 19 . 1 1 36 36 THR H H 36 7.138 7.138 8.213 -1.075 25958 6155 1 19 . 1 1 37 37 ILE N N 37 122.903 122.903 121.884 1.019 25958 6156 1 19 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.835 -0.273 25958 6157 1 19 . 1 1 37 37 ILE C C 37 177.685 177.685 177.892 -0.207 25958 6158 1 19 . 1 1 37 37 ILE CA C 37 65.667 65.667 62.660 3.007 25958 6159 1 19 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.303 1.901 25958 6160 1 19 . 1 1 37 37 ILE H H 37 7.193 7.193 7.789 -0.596 25958 6161 1 19 . 1 1 38 38 GLU N N 38 118.719 118.719 121.006 -2.287 25958 6162 1 19 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.935 0.114 25958 6163 1 19 . 1 1 38 38 GLU C C 38 179.575 179.575 179.149 0.426 25958 6164 1 19 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.143 -0.398 25958 6165 1 19 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.634 -0.193 25958 6166 1 19 . 1 1 38 38 GLU H H 38 8.578 8.578 8.782 -0.204 25958 6167 1 19 . 1 1 39 39 THR N N 39 116.297 116.297 116.862 -0.565 25958 6168 1 19 . 1 1 39 39 THR HA H 39 3.936 3.936 3.903 0.033 25958 6169 1 19 . 1 1 39 39 THR C C 39 176.203 176.203 176.450 -0.247 25958 6170 1 19 . 1 1 39 39 THR CA C 39 66.989 66.989 66.802 0.187 25958 6171 1 19 . 1 1 39 39 THR CB C 39 68.845 68.845 68.689 0.156 25958 6172 1 19 . 1 1 39 39 THR H H 39 8.124 8.124 7.999 0.125 25958 6173 1 19 . 1 1 40 40 TYR N N 40 123.453 123.453 123.181 0.272 25958 6174 1 19 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.027 0.196 25958 6175 1 19 . 1 1 40 40 TYR C C 40 178.058 178.058 177.274 0.784 25958 6176 1 19 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.757 0.145 25958 6177 1 19 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.633 -0.050 25958 6178 1 19 . 1 1 40 40 TYR H H 40 7.730 7.730 8.291 -0.561 25958 6179 1 19 . 1 1 41 41 ARG N N 41 119.944 119.944 118.711 1.233 25958 6180 1 19 . 1 1 41 41 ARG HA H 41 3.802 3.802 4.013 -0.210 25958 6181 1 19 . 1 1 41 41 ARG C C 41 179.552 179.552 178.544 1.008 25958 6182 1 19 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.050 1.437 25958 6183 1 19 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.712 0.366 25958 6184 1 19 . 1 1 41 41 ARG H H 41 8.635 8.635 8.187 0.448 25958 6185 1 19 . 1 1 42 42 GLN N N 42 119.455 119.455 119.469 -0.014 25958 6186 1 19 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.926 0.157 25958 6187 1 19 . 1 1 42 42 GLN C C 42 178.700 178.700 178.626 0.074 25958 6188 1 19 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.340 -0.512 25958 6189 1 19 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.515 -0.163 25958 6190 1 19 . 1 1 42 42 GLN H H 42 8.225 8.225 8.555 -0.330 25958 6191 1 19 . 1 1 43 43 GLN N N 43 118.905 118.905 118.259 0.646 25958 6192 1 19 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.924 0.164 25958 6193 1 19 . 1 1 43 43 GLN C C 43 178.664 178.664 178.319 0.345 25958 6194 1 19 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.991 -0.644 25958 6195 1 19 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.328 -0.148 25958 6196 1 19 . 1 1 43 43 GLN H H 43 7.894 7.894 8.308 -0.414 25958 6197 1 19 . 1 1 44 44 GLN N N 44 117.762 117.762 119.339 -1.577 25958 6198 1 19 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.930 0.017 25958 6199 1 19 . 1 1 44 44 GLN C C 44 178.320 178.320 178.513 -0.193 25958 6200 1 19 . 1 1 44 44 GLN CA C 44 57.285 57.285 59.043 -1.758 25958 6201 1 19 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.469 -0.308 25958 6202 1 19 . 1 1 44 44 GLN H H 44 8.034 8.034 7.650 0.384 25958 6203 1 19 . 1 1 45 45 GLN N N 45 119.382 119.382 119.024 0.358 25958 6204 1 19 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.101 0.090 25958 6205 1 19 . 1 1 45 45 GLN C C 45 177.742 177.742 178.491 -0.749 25958 6206 1 19 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.529 -0.358 25958 6207 1 19 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.536 -0.043 25958 6208 1 19 . 1 1 45 45 GLN H H 45 7.997 7.997 7.709 0.288 25958 6209 1 19 . 1 1 46 46 GLN N N 46 118.664 118.664 120.031 -1.367 25958 6210 1 19 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.611 0.585 25958 6211 1 19 . 1 1 46 46 GLN C C 46 177.540 177.540 177.866 -0.326 25958 6212 1 19 . 1 1 46 46 GLN CA C 46 57.685 57.685 59.245 -1.560 25958 6213 1 19 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.177 0.566 25958 6214 1 19 . 1 1 46 46 GLN H H 46 7.870 7.870 8.327 -0.457 25958 6215 1 19 . 1 1 47 47 GLN N N 47 118.622 118.622 118.301 0.321 25958 6216 1 19 . 1 1 47 47 GLN C C 47 177.073 177.073 178.444 -1.371 25958 6217 1 19 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.901 -1.573 25958 6218 1 19 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.404 0.521 25958 6219 1 19 . 1 1 47 47 GLN H H 47 8.043 8.043 7.585 0.458 25958 6220 1 19 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.364 0.209 25958 6221 1 19 . 1 1 48 48 HIS C C 48 176.277 176.277 177.732 -1.455 25958 6222 1 19 . 1 1 48 48 HIS CA C 48 57.913 57.913 58.565 -0.652 25958 6223 1 19 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.879 0.340 25958 6224 1 19 . 1 1 49 49 GLN N N 49 119.554 119.554 119.436 0.118 25958 6225 1 19 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.937 0.278 25958 6226 1 19 . 1 1 49 49 GLN C C 49 176.896 176.896 178.572 -1.676 25958 6227 1 19 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.824 -1.279 25958 6228 1 19 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.586 0.288 25958 6229 1 19 . 1 1 49 49 GLN H H 49 8.117 8.117 8.222 -0.105 25958 6230 1 19 . 1 1 50 50 HIS N N 50 118.665 118.665 118.018 0.647 25958 6231 1 19 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.298 0.250 25958 6232 1 19 . 1 1 50 50 HIS C C 50 176.265 176.265 177.942 -1.677 25958 6233 1 19 . 1 1 50 50 HIS CA C 50 57.300 57.300 58.368 -1.068 25958 6234 1 19 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.670 0.519 25958 6235 1 19 . 1 1 50 50 HIS H H 50 8.138 8.138 8.269 -0.131 25958 6236 1 19 . 1 1 51 51 LEU N N 51 121.208 121.208 120.775 0.433 25958 6237 1 19 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.221 -0.051 25958 6238 1 19 . 1 1 51 51 LEU C C 51 177.627 177.627 177.218 0.409 25958 6239 1 19 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.095 -0.892 25958 6240 1 19 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.464 -0.320 25958 6241 1 19 . 1 1 51 51 LEU H H 51 7.809 7.809 7.777 0.032 25958 6242 1 19 . 1 1 52 52 LEU N N 52 120.700 120.700 119.572 1.128 25958 6243 1 19 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.476 -0.298 25958 6244 1 19 . 1 1 52 52 LEU C C 52 177.799 177.799 176.125 1.674 25958 6245 1 19 . 1 1 52 52 LEU CA C 52 55.993 55.993 53.558 2.435 25958 6246 1 19 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.653 -0.535 25958 6247 1 19 . 1 1 52 52 LEU H H 52 7.924 7.924 7.513 0.411 25958 6248 1 19 . 1 1 53 53 GLN N N 53 119.631 119.631 120.686 -1.055 25958 6249 1 19 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.233 -0.018 25958 6250 1 19 . 1 1 53 53 GLN C C 53 176.327 176.327 174.980 1.347 25958 6251 1 19 . 1 1 53 53 GLN CA C 53 56.492 56.492 57.157 -0.665 25958 6252 1 19 . 1 1 53 53 GLN CB C 53 29.202 29.202 29.463 -0.261 25958 6253 1 19 . 1 1 53 53 GLN H H 53 7.986 7.986 7.471 0.515 25958 6254 1 19 . 1 1 54 54 LYS N N 54 121.278 121.278 123.189 -1.911 25958 6255 1 19 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.621 -0.394 25958 6256 1 19 . 1 1 54 54 LYS C C 54 176.812 176.812 175.490 1.322 25958 6257 1 19 . 1 1 54 54 LYS CA C 54 56.680 56.680 55.227 1.453 25958 6258 1 19 . 1 1 54 54 LYS CB C 54 32.898 32.898 34.145 -1.247 25958 6259 1 19 . 1 1 54 54 LYS H H 54 8.053 8.053 8.266 -0.213 25958 6260 1 19 . 1 1 55 55 GLN N N 55 120.539 120.539 119.574 0.965 25958 6261 1 19 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.372 -0.050 25958 6262 1 19 . 1 1 55 55 GLN C C 55 176.291 176.291 176.183 0.108 25958 6263 1 19 . 1 1 55 55 GLN CA C 55 56.199 56.199 55.876 0.324 25958 6264 1 19 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.256 0.136 25958 6265 1 19 . 1 1 55 55 GLN H H 55 8.249 8.249 8.372 -0.123 25958 6266 1 19 . 1 1 56 56 THR N N 56 114.334 114.334 113.427 0.907 25958 6267 1 19 . 1 1 56 56 THR HA H 56 4.347 4.347 4.269 0.078 25958 6268 1 19 . 1 1 56 56 THR C C 56 174.526 174.526 174.612 -0.086 25958 6269 1 19 . 1 1 56 56 THR CA C 56 62.075 62.075 62.555 -0.480 25958 6270 1 19 . 1 1 56 56 THR CB C 56 69.852 69.852 69.332 0.520 25958 6271 1 19 . 1 1 56 56 THR H H 56 8.063 8.063 8.209 -0.146 25958 6272 1 19 . 1 1 57 57 SER N N 57 117.856 117.856 116.659 1.197 25958 6273 1 19 . 1 1 57 57 SER HA H 57 4.502 4.502 4.607 -0.105 25958 6274 1 19 . 1 1 57 57 SER C C 57 174.275 174.275 174.816 -0.541 25958 6275 1 19 . 1 1 57 57 SER CA C 57 58.405 58.405 57.426 0.979 25958 6276 1 19 . 1 1 57 57 SER CB C 57 63.949 63.949 63.983 -0.034 25958 6277 1 19 . 1 1 57 57 SER H H 57 8.163 8.163 8.492 -0.329 25958 6278 1 19 . 1 1 58 58 ILE N N 58 122.144 122.144 120.917 1.227 25958 6279 1 19 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.104 0.090 25958 6280 1 19 . 1 1 58 58 ILE C C 58 176.006 176.006 175.149 0.857 25958 6281 1 19 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.457 -0.182 25958 6282 1 19 . 1 1 58 58 ILE CB C 58 38.820 38.820 37.929 0.891 25958 6283 1 19 . 1 1 58 58 ILE H H 58 8.049 8.049 8.293 -0.244 25958 6284 1 19 . 1 1 59 59 GLN N N 59 124.842 124.842 120.563 4.279 25958 6285 1 19 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.563 -0.147 25958 6286 1 19 . 1 1 59 59 GLN C C 59 174.974 174.974 174.899 0.075 25958 6287 1 19 . 1 1 59 59 GLN CA C 59 55.845 55.845 54.847 0.998 25958 6288 1 19 . 1 1 59 59 GLN CB C 59 29.748 29.748 29.822 -0.074 25958 6289 1 19 . 1 1 59 59 GLN H H 59 8.327 8.327 8.092 0.235 25958 6290 1 20 . 1 1 2 2 ASP N N 2 121.276 121.276 123.627 -2.351 25958 6291 1 20 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.503 0.180 25958 6292 1 20 . 1 1 2 2 ASP C C 2 175.828 175.828 176.566 -0.738 25958 6293 1 20 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.937 -1.252 25958 6294 1 20 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.559 0.415 25958 6295 1 20 . 1 1 2 2 ASP H H 2 8.555 8.555 8.457 0.098 25958 6296 1 20 . 1 1 3 3 ASP N N 3 119.296 119.296 118.675 0.621 25958 6297 1 20 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.676 -0.096 25958 6298 1 20 . 1 1 3 3 ASP C C 3 175.884 175.884 175.590 0.294 25958 6299 1 20 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.068 0.051 25958 6300 1 20 . 1 1 3 3 ASP CB C 3 41.305 41.305 41.109 0.196 25958 6301 1 20 . 1 1 3 3 ASP H H 3 8.004 8.004 8.306 -0.302 25958 6302 1 20 . 1 1 4 4 GLU N N 4 120.922 120.922 120.383 0.539 25958 6303 1 20 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.334 -0.199 25958 6304 1 20 . 1 1 4 4 GLU C C 4 174.979 174.979 175.887 -0.908 25958 6305 1 20 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.380 0.491 25958 6306 1 20 . 1 1 4 4 GLU CB C 4 30.780 30.780 30.739 0.041 25958 6307 1 20 . 1 1 4 4 GLU H H 4 7.945 7.945 7.456 0.489 25958 6308 1 20 . 1 1 5 5 LEU N N 5 124.551 124.551 124.664 -0.113 25958 6309 1 20 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.356 0.182 25958 6310 1 20 . 1 1 5 5 LEU C C 5 175.305 175.305 176.094 -0.789 25958 6311 1 20 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.977 -0.106 25958 6312 1 20 . 1 1 5 5 LEU CB C 5 42.841 42.841 42.109 0.732 25958 6313 1 20 . 1 1 5 5 LEU H H 5 8.042 8.042 8.391 -0.349 25958 6314 1 20 . 1 1 6 6 LEU N N 6 127.945 127.945 127.495 0.450 25958 6315 1 20 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.628 -0.116 25958 6316 1 20 . 1 1 6 6 LEU C C 6 174.919 174.919 175.795 -0.876 25958 6317 1 20 . 1 1 6 6 LEU CA C 6 53.517 53.517 53.815 -0.298 25958 6318 1 20 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.855 1.734 25958 6319 1 20 . 1 1 6 6 LEU H H 6 8.799 8.799 8.131 0.668 25958 6320 1 20 . 1 1 7 7 TYR N N 7 117.176 117.176 120.489 -3.313 25958 6321 1 20 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.783 0.374 25958 6322 1 20 . 1 1 7 7 TYR C C 7 175.335 175.335 174.872 0.463 25958 6323 1 20 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.472 -0.040 25958 6324 1 20 . 1 1 7 7 TYR CB C 7 40.944 40.944 39.062 1.882 25958 6325 1 20 . 1 1 7 7 TYR H H 7 8.583 8.583 8.458 0.125 25958 6326 1 20 . 1 1 8 8 LEU N N 8 128.094 128.094 128.468 -0.374 25958 6327 1 20 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.831 0.321 25958 6328 1 20 . 1 1 8 8 LEU C C 8 173.946 173.946 175.062 -1.116 25958 6329 1 20 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.705 -1.087 25958 6330 1 20 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.532 2.880 25958 6331 1 20 . 1 1 8 8 LEU H H 8 9.308 9.308 8.271 1.037 25958 6332 1 20 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.778 -0.251 25958 6333 1 20 . 1 1 9 9 PRO C C 9 176.758 176.758 175.744 1.014 25958 6334 1 20 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.939 -0.849 25958 6335 1 20 . 1 1 9 9 PRO CB C 9 31.873 31.873 32.136 -0.263 25958 6336 1 20 . 1 1 10 10 VAL N N 10 124.047 124.047 123.043 1.004 25958 6337 1 20 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.372 -0.163 25958 6338 1 20 . 1 1 10 10 VAL C C 10 173.446 173.446 174.897 -1.451 25958 6339 1 20 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.391 0.227 25958 6340 1 20 . 1 1 10 10 VAL CB C 10 35.669 35.669 34.968 0.701 25958 6341 1 20 . 1 1 10 10 VAL H H 10 9.193 9.193 8.180 1.013 25958 6342 1 20 . 1 1 11 11 ARG N N 11 127.433 127.433 125.094 2.339 25958 6343 1 20 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.693 0.006 25958 6344 1 20 . 1 1 11 11 ARG C C 11 176.092 176.092 175.307 0.785 25958 6345 1 20 . 1 1 11 11 ARG CA C 11 55.367 55.367 56.038 -0.670 25958 6346 1 20 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.633 -0.028 25958 6347 1 20 . 1 1 11 11 ARG H H 11 9.053 9.053 8.661 0.392 25958 6348 1 20 . 1 1 12 12 GLY N N 12 115.279 115.279 112.346 2.933 25958 6349 1 20 . 1 1 12 12 GLY C C 12 173.823 173.823 173.985 -0.162 25958 6350 1 20 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.279 -0.328 25958 6351 1 20 . 1 1 12 12 GLY H H 12 8.614 8.614 8.341 0.273 25958 6352 1 20 . 1 1 13 13 ARG N N 13 125.500 125.500 122.302 3.198 25958 6353 1 20 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.186 -0.334 25958 6354 1 20 . 1 1 13 13 ARG C C 13 177.793 177.793 177.992 -0.199 25958 6355 1 20 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.408 0.796 25958 6356 1 20 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.403 -0.636 25958 6357 1 20 . 1 1 13 13 ARG H H 13 8.774 8.774 8.643 0.131 25958 6358 1 20 . 1 1 14 14 GLU N N 14 119.254 119.254 118.061 1.193 25958 6359 1 20 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.192 -0.110 25958 6360 1 20 . 1 1 14 14 GLU C C 14 179.794 179.794 178.777 1.017 25958 6361 1 20 . 1 1 14 14 GLU CA C 14 60.362 60.362 60.529 -0.168 25958 6362 1 20 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.401 0.558 25958 6363 1 20 . 1 1 14 14 GLU H H 14 8.888 8.888 8.846 0.042 25958 6364 1 20 . 1 1 15 15 THR N N 15 117.699 117.699 115.759 1.940 25958 6365 1 20 . 1 1 15 15 THR HA H 15 3.784 3.784 4.105 -0.321 25958 6366 1 20 . 1 1 15 15 THR C C 15 175.457 175.457 176.565 -1.108 25958 6367 1 20 . 1 1 15 15 THR CA C 15 66.498 66.498 66.119 0.379 25958 6368 1 20 . 1 1 15 15 THR CB C 15 67.813 67.813 68.424 -0.611 25958 6369 1 20 . 1 1 15 15 THR H H 15 7.958 7.958 8.364 -0.406 25958 6370 1 20 . 1 1 16 16 TYR N N 16 122.365 122.365 123.032 -0.667 25958 6371 1 20 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.119 -0.377 25958 6372 1 20 . 1 1 16 16 TYR C C 16 175.895 175.895 177.137 -1.242 25958 6373 1 20 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.856 1.240 25958 6374 1 20 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.744 0.480 25958 6375 1 20 . 1 1 16 16 TYR H H 16 8.042 8.042 8.028 0.014 25958 6376 1 20 . 1 1 17 17 GLU N N 17 116.940 116.940 119.591 -2.651 25958 6377 1 20 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.726 0.101 25958 6378 1 20 . 1 1 17 17 GLU C C 17 179.448 179.448 178.936 0.512 25958 6379 1 20 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.881 -0.002 25958 6380 1 20 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.612 -0.367 25958 6381 1 20 . 1 1 17 17 GLU H H 17 8.713 8.713 8.327 0.386 25958 6382 1 20 . 1 1 18 18 MET N N 18 118.965 118.965 117.883 1.082 25958 6383 1 20 . 1 1 18 18 MET HA H 18 4.291 4.291 4.087 0.204 25958 6384 1 20 . 1 1 18 18 MET C C 18 178.050 178.050 178.363 -0.313 25958 6385 1 20 . 1 1 18 18 MET CA C 18 58.815 58.815 59.044 -0.229 25958 6386 1 20 . 1 1 18 18 MET CB C 18 32.736 32.736 32.461 0.275 25958 6387 1 20 . 1 1 18 18 MET H H 18 7.505 7.505 8.357 -0.852 25958 6388 1 20 . 1 1 19 19 LEU N N 19 117.499 117.499 121.020 -3.521 25958 6389 1 20 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.985 -0.162 25958 6390 1 20 . 1 1 19 19 LEU C C 19 178.443 178.443 179.091 -0.648 25958 6391 1 20 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.310 -0.749 25958 6392 1 20 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.362 0.393 25958 6393 1 20 . 1 1 19 19 LEU H H 19 8.151 8.151 7.640 0.511 25958 6394 1 20 . 1 1 20 20 LEU N N 20 120.873 120.873 120.031 0.842 25958 6395 1 20 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.628 0.136 25958 6396 1 20 . 1 1 20 20 LEU C C 20 178.475 178.475 178.448 0.027 25958 6397 1 20 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.345 0.357 25958 6398 1 20 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.272 0.593 25958 6399 1 20 . 1 1 20 20 LEU H H 20 8.649 8.649 8.392 0.257 25958 6400 1 20 . 1 1 21 21 GLU N N 21 118.433 118.433 119.625 -1.192 25958 6401 1 20 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.952 0.109 25958 6402 1 20 . 1 1 21 21 GLU C C 21 179.572 179.572 179.475 0.097 25958 6403 1 20 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.478 0.222 25958 6404 1 20 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.683 -0.389 25958 6405 1 20 . 1 1 21 21 GLU H H 21 7.379 7.379 8.273 -0.894 25958 6406 1 20 . 1 1 22 22 ILE N N 22 116.978 116.978 119.294 -2.316 25958 6407 1 20 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.913 -0.198 25958 6408 1 20 . 1 1 22 22 ILE C C 22 177.909 177.909 178.380 -0.471 25958 6409 1 20 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.574 -0.054 25958 6410 1 20 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.984 -0.072 25958 6411 1 20 . 1 1 22 22 ILE H H 22 7.649 7.649 8.310 -0.661 25958 6412 1 20 . 1 1 23 23 LYS N N 23 122.631 122.631 120.630 2.001 25958 6413 1 20 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.950 -0.242 25958 6414 1 20 . 1 1 23 23 LYS C C 23 177.322 177.322 178.358 -1.036 25958 6415 1 20 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.412 1.131 25958 6416 1 20 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.003 0.492 25958 6417 1 20 . 1 1 23 23 LYS H H 23 9.094 9.094 7.949 1.145 25958 6418 1 20 . 1 1 24 24 GLU N N 24 117.756 117.756 119.875 -2.119 25958 6419 1 20 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.921 0.320 25958 6420 1 20 . 1 1 24 24 GLU C C 24 177.755 177.755 178.790 -1.035 25958 6421 1 20 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.881 -0.114 25958 6422 1 20 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.580 0.187 25958 6423 1 20 . 1 1 24 24 GLU H H 24 8.320 8.320 8.585 -0.265 25958 6424 1 20 . 1 1 25 25 SER N N 25 114.010 114.010 115.202 -1.192 25958 6425 1 20 . 1 1 25 25 SER HA H 25 4.174 4.174 4.111 0.063 25958 6426 1 20 . 1 1 25 25 SER C C 25 175.840 175.840 176.914 -1.074 25958 6427 1 20 . 1 1 25 25 SER CA C 25 62.272 62.272 61.783 0.489 25958 6428 1 20 . 1 1 25 25 SER CB C 25 63.277 63.277 62.812 0.465 25958 6429 1 20 . 1 1 25 25 SER H H 25 7.425 7.425 8.068 -0.643 25958 6430 1 20 . 1 1 26 26 LEU N N 26 122.202 122.202 123.767 -1.565 25958 6431 1 20 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.058 -0.013 25958 6432 1 20 . 1 1 26 26 LEU C C 26 180.418 180.418 178.233 2.185 25958 6433 1 20 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.891 0.108 25958 6434 1 20 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.982 0.728 25958 6435 1 20 . 1 1 26 26 LEU H H 26 7.625 7.625 7.706 -0.081 25958 6436 1 20 . 1 1 27 27 GLU N N 27 118.591 118.591 120.003 -1.412 25958 6437 1 20 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.962 0.117 25958 6438 1 20 . 1 1 27 27 GLU C C 27 180.128 180.128 179.135 0.993 25958 6439 1 20 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.588 0.048 25958 6440 1 20 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.781 -0.224 25958 6441 1 20 . 1 1 27 27 GLU H H 27 8.593 8.593 8.341 0.252 25958 6442 1 20 . 1 1 28 28 LEU N N 28 119.793 119.793 120.011 -0.218 25958 6443 1 20 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.125 -0.158 25958 6444 1 20 . 1 1 28 28 LEU C C 28 178.567 178.567 179.365 -0.798 25958 6445 1 20 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.889 -0.600 25958 6446 1 20 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.292 0.555 25958 6447 1 20 . 1 1 28 28 LEU H H 28 8.468 8.468 8.576 -0.108 25958 6448 1 20 . 1 1 29 29 MET N N 29 115.804 115.804 119.402 -3.598 25958 6449 1 20 . 1 1 29 29 MET HA H 29 3.928 3.928 4.117 -0.189 25958 6450 1 20 . 1 1 29 29 MET C C 29 177.907 177.907 178.478 -0.571 25958 6451 1 20 . 1 1 29 29 MET CA C 29 58.463 58.463 58.049 0.414 25958 6452 1 20 . 1 1 29 29 MET CB C 29 33.047 33.047 31.883 1.164 25958 6453 1 20 . 1 1 29 29 MET H H 29 7.279 7.279 7.847 -0.568 25958 6454 1 20 . 1 1 30 30 GLN N N 30 114.048 114.048 117.882 -3.834 25958 6455 1 20 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.070 0.050 25958 6456 1 20 . 1 1 30 30 GLN C C 30 176.520 176.520 177.916 -1.396 25958 6457 1 20 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.390 -1.455 25958 6458 1 20 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.760 -0.418 25958 6459 1 20 . 1 1 30 30 GLN H H 30 7.138 7.138 7.955 -0.817 25958 6460 1 20 . 1 1 31 31 TYR N N 31 117.000 117.000 117.878 -0.878 25958 6461 1 20 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.475 0.008 25958 6462 1 20 . 1 1 31 31 TYR C C 31 176.095 176.095 175.229 0.866 25958 6463 1 20 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.873 -1.448 25958 6464 1 20 . 1 1 31 31 TYR CB C 31 38.492 38.492 40.221 -1.729 25958 6465 1 20 . 1 1 31 31 TYR H H 31 7.764 7.764 7.592 0.172 25958 6466 1 20 . 1 1 32 32 LEU N N 32 120.517 120.517 119.939 0.578 25958 6467 1 20 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.950 -2.044 25958 6468 1 20 . 1 1 32 32 LEU C C 32 174.141 174.141 174.520 -0.379 25958 6469 1 20 . 1 1 32 32 LEU CA C 32 52.337 52.337 52.221 0.116 25958 6470 1 20 . 1 1 32 32 LEU CB C 32 42.269 42.269 42.981 -0.712 25958 6471 1 20 . 1 1 32 32 LEU H H 32 7.368 7.368 7.986 -0.618 25958 6472 1 20 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.215 0.332 25958 6473 1 20 . 1 1 34 34 GLN CB C 34 32.286 32.286 28.867 3.419 25958 6474 1 20 . 1 1 35 35 HIS N N 35 124.090 124.090 119.583 4.507 25958 6475 1 20 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.176 0.296 25958 6476 1 20 . 1 1 35 35 HIS C C 35 177.836 177.836 177.553 0.283 25958 6477 1 20 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.811 -1.445 25958 6478 1 20 . 1 1 35 35 HIS CB C 35 29.512 29.512 30.037 -0.525 25958 6479 1 20 . 1 1 35 35 HIS H H 35 8.869 8.869 8.562 0.307 25958 6480 1 20 . 1 1 36 36 THR N N 36 119.182 119.182 113.619 5.563 25958 6481 1 20 . 1 1 36 36 THR HA H 36 3.946 3.946 4.067 -0.121 25958 6482 1 20 . 1 1 36 36 THR C C 36 176.029 176.029 176.557 -0.528 25958 6483 1 20 . 1 1 36 36 THR CA C 36 66.606 66.606 66.451 0.155 25958 6484 1 20 . 1 1 36 36 THR CB C 36 68.598 68.598 68.340 0.258 25958 6485 1 20 . 1 1 36 36 THR H H 36 7.138 7.138 7.642 -0.504 25958 6486 1 20 . 1 1 37 37 ILE N N 37 122.903 122.903 122.148 0.755 25958 6487 1 20 . 1 1 37 37 ILE HA H 37 3.562 3.562 4.066 -0.504 25958 6488 1 20 . 1 1 37 37 ILE C C 37 177.685 177.685 178.123 -0.438 25958 6489 1 20 . 1 1 37 37 ILE CA C 37 65.667 65.667 62.941 2.727 25958 6490 1 20 . 1 1 37 37 ILE CB C 37 38.204 38.204 36.280 1.924 25958 6491 1 20 . 1 1 37 37 ILE H H 37 7.193 7.193 7.944 -0.751 25958 6492 1 20 . 1 1 38 38 GLU N N 38 118.719 118.719 121.165 -2.446 25958 6493 1 20 . 1 1 38 38 GLU HA H 38 4.049 4.049 4.040 0.009 25958 6494 1 20 . 1 1 38 38 GLU C C 38 179.575 179.575 179.079 0.496 25958 6495 1 20 . 1 1 38 38 GLU CA C 38 59.745 59.745 59.702 0.043 25958 6496 1 20 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.155 0.286 25958 6497 1 20 . 1 1 38 38 GLU H H 38 8.578 8.578 8.799 -0.221 25958 6498 1 20 . 1 1 39 39 THR N N 39 116.297 116.297 117.491 -1.194 25958 6499 1 20 . 1 1 39 39 THR HA H 39 3.936 3.936 4.031 -0.095 25958 6500 1 20 . 1 1 39 39 THR C C 39 176.203 176.203 176.770 -0.567 25958 6501 1 20 . 1 1 39 39 THR CA C 39 66.989 66.989 66.869 0.120 25958 6502 1 20 . 1 1 39 39 THR CB C 39 68.845 68.845 68.683 0.162 25958 6503 1 20 . 1 1 39 39 THR H H 39 8.124 8.124 7.715 0.409 25958 6504 1 20 . 1 1 40 40 TYR N N 40 123.453 123.453 123.088 0.365 25958 6505 1 20 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.094 0.129 25958 6506 1 20 . 1 1 40 40 TYR C C 40 178.058 178.058 177.119 0.939 25958 6507 1 20 . 1 1 40 40 TYR CA C 40 61.902 61.902 60.022 1.880 25958 6508 1 20 . 1 1 40 40 TYR CB C 40 38.583 38.583 37.907 0.676 25958 6509 1 20 . 1 1 40 40 TYR H H 40 7.730 7.730 8.644 -0.914 25958 6510 1 20 . 1 1 41 41 ARG N N 41 119.944 119.944 118.940 1.004 25958 6511 1 20 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.673 0.129 25958 6512 1 20 . 1 1 41 41 ARG C C 41 179.552 179.552 178.332 1.220 25958 6513 1 20 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.664 0.823 25958 6514 1 20 . 1 1 41 41 ARG CB C 41 30.078 30.078 30.027 0.050 25958 6515 1 20 . 1 1 41 41 ARG H H 41 8.635 8.635 8.482 0.153 25958 6516 1 20 . 1 1 42 42 GLN N N 42 119.455 119.455 119.793 -0.338 25958 6517 1 20 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.893 0.190 25958 6518 1 20 . 1 1 42 42 GLN C C 42 178.700 178.700 177.994 0.706 25958 6519 1 20 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.122 -0.294 25958 6520 1 20 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.518 -0.166 25958 6521 1 20 . 1 1 42 42 GLN H H 42 8.225 8.225 8.096 0.129 25958 6522 1 20 . 1 1 43 43 GLN N N 43 118.905 118.905 119.192 -0.287 25958 6523 1 20 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.874 0.214 25958 6524 1 20 . 1 1 43 43 GLN C C 43 178.664 178.664 178.071 0.593 25958 6525 1 20 . 1 1 43 43 GLN CA C 43 58.347 58.347 59.210 -0.863 25958 6526 1 20 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.607 -0.428 25958 6527 1 20 . 1 1 43 43 GLN H H 43 7.894 7.894 8.425 -0.531 25958 6528 1 20 . 1 1 44 44 GLN N N 44 117.762 117.762 119.220 -1.458 25958 6529 1 20 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.803 0.144 25958 6530 1 20 . 1 1 44 44 GLN C C 44 178.320 178.320 178.139 0.181 25958 6531 1 20 . 1 1 44 44 GLN CA C 44 57.285 57.285 59.128 -1.843 25958 6532 1 20 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.291 -0.130 25958 6533 1 20 . 1 1 44 44 GLN H H 44 8.034 8.034 8.243 -0.209 25958 6534 1 20 . 1 1 45 45 GLN N N 45 119.382 119.382 118.862 0.520 25958 6535 1 20 . 1 1 45 45 GLN HA H 45 4.191 4.191 3.850 0.341 25958 6536 1 20 . 1 1 45 45 GLN C C 45 177.742 177.742 178.409 -0.667 25958 6537 1 20 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.747 -0.576 25958 6538 1 20 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.605 -0.112 25958 6539 1 20 . 1 1 45 45 GLN H H 45 7.997 7.997 7.905 0.092 25958 6540 1 20 . 1 1 46 46 GLN N N 46 118.664 118.664 118.650 0.014 25958 6541 1 20 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.731 0.465 25958 6542 1 20 . 1 1 46 46 GLN C C 46 177.540 177.540 178.435 -0.895 25958 6543 1 20 . 1 1 46 46 GLN CA C 46 57.685 57.685 59.167 -1.482 25958 6544 1 20 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.207 0.536 25958 6545 1 20 . 1 1 46 46 GLN H H 46 7.870 7.870 8.254 -0.384 25958 6546 1 20 . 1 1 47 47 GLN N N 47 118.622 118.622 118.513 0.109 25958 6547 1 20 . 1 1 47 47 GLN C C 47 177.073 177.073 178.830 -1.757 25958 6548 1 20 . 1 1 47 47 GLN CA C 47 57.328 57.328 59.216 -1.888 25958 6549 1 20 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.707 0.218 25958 6550 1 20 . 1 1 47 47 GLN H H 47 8.043 8.043 8.245 -0.202 25958 6551 1 20 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.366 0.207 25958 6552 1 20 . 1 1 48 48 HIS C C 48 176.277 176.277 176.866 -0.589 25958 6553 1 20 . 1 1 48 48 HIS CA C 48 57.913 57.913 57.985 -0.072 25958 6554 1 20 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.445 0.774 25958 6555 1 20 . 1 1 49 49 GLN N N 49 119.554 119.554 118.648 0.906 25958 6556 1 20 . 1 1 49 49 GLN HA H 49 4.215 4.215 4.187 0.028 25958 6557 1 20 . 1 1 49 49 GLN C C 49 176.896 176.896 178.294 -1.398 25958 6558 1 20 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.632 -1.087 25958 6559 1 20 . 1 1 49 49 GLN CB C 49 28.874 28.874 29.009 -0.135 25958 6560 1 20 . 1 1 49 49 GLN H H 49 8.117 8.117 7.648 0.469 25958 6561 1 20 . 1 1 50 50 HIS N N 50 118.665 118.665 118.997 -0.332 25958 6562 1 20 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.504 0.044 25958 6563 1 20 . 1 1 50 50 HIS C C 50 176.265 176.265 177.468 -1.203 25958 6564 1 20 . 1 1 50 50 HIS CA C 50 57.300 57.300 57.457 -0.157 25958 6565 1 20 . 1 1 50 50 HIS CB C 50 30.189 30.189 29.841 0.348 25958 6566 1 20 . 1 1 50 50 HIS H H 50 8.138 8.138 8.359 -0.221 25958 6567 1 20 . 1 1 51 51 LEU N N 51 121.208 121.208 120.084 1.124 25958 6568 1 20 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.125 0.045 25958 6569 1 20 . 1 1 51 51 LEU C C 51 177.627 177.627 177.713 -0.086 25958 6570 1 20 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.039 -0.836 25958 6571 1 20 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.181 -0.037 25958 6572 1 20 . 1 1 51 51 LEU H H 51 7.809 7.809 7.760 0.049 25958 6573 1 20 . 1 1 52 52 LEU N N 52 120.700 120.700 119.422 1.278 25958 6574 1 20 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.488 -0.310 25958 6575 1 20 . 1 1 52 52 LEU C C 52 177.799 177.799 176.641 1.158 25958 6576 1 20 . 1 1 52 52 LEU CA C 52 55.993 55.993 56.017 -0.023 25958 6577 1 20 . 1 1 52 52 LEU CB C 52 42.118 42.118 43.495 -1.377 25958 6578 1 20 . 1 1 52 52 LEU H H 52 7.924 7.924 7.832 0.092 25958 6579 1 20 . 1 1 53 53 GLN N N 53 119.631 119.631 117.239 2.392 25958 6580 1 20 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.429 -0.214 25958 6581 1 20 . 1 1 53 53 GLN C C 53 176.327 176.327 174.362 1.965 25958 6582 1 20 . 1 1 53 53 GLN CA C 53 56.492 56.492 55.568 0.924 25958 6583 1 20 . 1 1 53 53 GLN CB C 53 29.202 29.202 30.447 -1.245 25958 6584 1 20 . 1 1 53 53 GLN H H 53 7.986 7.986 7.765 0.221 25958 6585 1 20 . 1 1 54 54 LYS N N 54 121.278 121.278 120.638 0.640 25958 6586 1 20 . 1 1 54 54 LYS HA H 54 4.227 4.227 3.965 0.262 25958 6587 1 20 . 1 1 54 54 LYS C C 54 176.812 176.812 173.976 2.836 25958 6588 1 20 . 1 1 54 54 LYS CA C 54 56.680 56.680 57.041 -0.361 25958 6589 1 20 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.843 0.055 25958 6590 1 20 . 1 1 54 54 LYS H H 54 8.053 8.053 8.589 -0.536 25958 6591 1 20 . 1 1 55 55 GLN N N 55 120.539 120.539 122.509 -1.970 25958 6592 1 20 . 1 1 55 55 GLN HA H 55 4.322 4.322 3.571 0.751 25958 6593 1 20 . 1 1 55 55 GLN C C 55 176.291 176.291 174.504 1.787 25958 6594 1 20 . 1 1 55 55 GLN CA C 55 56.199 56.199 54.717 1.482 25958 6595 1 20 . 1 1 55 55 GLN CB C 55 29.392 29.392 31.312 -1.920 25958 6596 1 20 . 1 1 55 55 GLN H H 55 8.249 8.249 8.336 -0.087 25958 6597 1 20 . 1 1 56 56 THR N N 56 114.334 114.334 114.900 -0.566 25958 6598 1 20 . 1 1 56 56 THR HA H 56 4.347 4.347 4.374 -0.027 25958 6599 1 20 . 1 1 56 56 THR C C 56 174.526 174.526 173.998 0.528 25958 6600 1 20 . 1 1 56 56 THR CA C 56 62.075 62.075 62.884 -0.809 25958 6601 1 20 . 1 1 56 56 THR CB C 56 69.852 69.852 69.850 0.002 25958 6602 1 20 . 1 1 56 56 THR H H 56 8.063 8.063 7.889 0.174 25958 6603 1 20 . 1 1 57 57 SER N N 57 117.856 117.856 116.438 1.418 25958 6604 1 20 . 1 1 57 57 SER HA H 57 4.502 4.502 4.329 0.173 25958 6605 1 20 . 1 1 57 57 SER C C 57 174.275 174.275 174.184 0.091 25958 6606 1 20 . 1 1 57 57 SER CA C 57 58.405 58.405 58.315 0.090 25958 6607 1 20 . 1 1 57 57 SER CB C 57 63.949 63.949 62.734 1.215 25958 6608 1 20 . 1 1 57 57 SER H H 57 8.163 8.163 8.205 -0.042 25958 6609 1 20 . 1 1 58 58 ILE N N 58 122.144 122.144 120.197 1.947 25958 6610 1 20 . 1 1 58 58 ILE HA H 58 4.194 4.194 3.929 0.265 25958 6611 1 20 . 1 1 58 58 ILE C C 58 176.006 176.006 175.174 0.832 25958 6612 1 20 . 1 1 58 58 ILE CA C 58 61.275 61.275 62.825 -1.550 25958 6613 1 20 . 1 1 58 58 ILE CB C 58 38.820 38.820 38.617 0.203 25958 6614 1 20 . 1 1 58 58 ILE H H 58 8.049 8.049 7.828 0.221 25958 6615 1 20 . 1 1 59 59 GLN N N 59 124.842 124.842 126.499 -1.657 25958 6616 1 20 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.733 -0.317 25958 6617 1 20 . 1 1 59 59 GLN C C 59 174.974 174.974 174.632 0.342 25958 6618 1 20 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.234 0.611 25958 6619 1 20 . 1 1 59 59 GLN CB C 59 29.748 29.748 31.155 -1.407 25958 6620 1 20 . 1 1 59 59 GLN H H 59 8.327 8.327 8.497 -0.170 25958 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 54 2.095 -0.107 2.111 25958 2 1 1 "Average Difference" HA 57 0.291 0.020 0.292 25958 3 1 1 "Average Difference" C 56 0.907 0.076 0.912 25958 4 1 1 "Average Difference" CA 56 0.819 0.099 0.820 25958 5 1 1 "Average Difference" CB 56 1.121 -0.277 1.096 25958 6 1 1 "Average Difference" HN 54 0.577 0.107 0.572 25958 7 1 2 "Average Difference" N 54 2.203 -0.007 2.224 25958 8 1 2 "Average Difference" HA 57 0.353 0.020 0.356 25958 9 1 2 "Average Difference" C 56 0.911 0.134 0.910 25958 10 1 2 "Average Difference" CA 56 0.850 0.201 0.834 25958 11 1 2 "Average Difference" CB 56 0.989 -0.250 0.965 25958 12 1 2 "Average Difference" HN 54 0.455 0.029 0.459 25958 13 1 3 "Average Difference" N 54 2.286 -0.368 2.277 25958 14 1 3 "Average Difference" HA 57 0.346 0.017 0.349 25958 15 1 3 "Average Difference" C 56 0.920 0.155 0.916 25958 16 1 3 "Average Difference" CA 56 0.988 0.188 0.979 25958 17 1 3 "Average Difference" CB 56 1.052 -0.323 1.011 25958 18 1 3 "Average Difference" HN 54 0.521 0.014 0.526 25958 19 1 4 "Average Difference" N 54 2.197 -0.346 2.190 25958 20 1 4 "Average Difference" HA 57 0.345 -0.000 0.348 25958 21 1 4 "Average Difference" C 56 0.826 0.170 0.816 25958 22 1 4 "Average Difference" CA 56 0.982 0.249 0.958 25958 23 1 4 "Average Difference" CB 56 0.919 -0.274 0.886 25958 24 1 4 "Average Difference" HN 54 0.495 0.089 0.492 25958 25 1 5 "Average Difference" N 54 2.653 -0.599 2.609 25958 26 1 5 "Average Difference" HA 57 0.342 0.007 0.345 25958 27 1 5 "Average Difference" C 56 0.903 0.131 0.902 25958 28 1 5 "Average Difference" CA 56 0.849 0.264 0.815 25958 29 1 5 "Average Difference" CB 56 0.891 -0.134 0.888 25958 30 1 5 "Average Difference" HN 54 0.512 0.038 0.515 25958 31 1 6 "Average Difference" N 54 2.056 0.310 2.052 25958 32 1 6 "Average Difference" HA 57 0.343 0.000 0.346 25958 33 1 6 "Average Difference" C 56 0.844 0.161 0.835 25958 34 1 6 "Average Difference" CA 56 0.762 0.220 0.736 25958 35 1 6 "Average Difference" CB 56 0.963 -0.397 0.886 25958 36 1 6 "Average Difference" HN 54 0.582 0.079 0.583 25958 37 1 7 "Average Difference" N 54 1.806 0.055 1.822 25958 38 1 7 "Average Difference" HA 57 0.331 0.048 0.330 25958 39 1 7 "Average Difference" C 56 0.953 0.086 0.958 25958 40 1 7 "Average Difference" CA 56 0.695 0.068 0.698 25958 41 1 7 "Average Difference" CB 56 0.820 -0.124 0.818 25958 42 1 7 "Average Difference" HN 54 0.517 0.052 0.519 25958 43 1 8 "Average Difference" N 54 2.094 0.111 2.110 25958 44 1 8 "Average Difference" HA 57 0.350 0.020 0.352 25958 45 1 8 "Average Difference" C 56 0.839 0.130 0.836 25958 46 1 8 "Average Difference" CA 56 0.830 0.089 0.833 25958 47 1 8 "Average Difference" CB 56 0.968 -0.294 0.931 25958 48 1 8 "Average Difference" HN 54 0.545 0.032 0.549 25958 49 1 9 "Average Difference" N 54 2.237 -0.209 2.248 25958 50 1 9 "Average Difference" HA 57 0.316 0.023 0.318 25958 51 1 9 "Average Difference" C 56 0.908 0.088 0.912 25958 52 1 9 "Average Difference" CA 56 0.797 0.080 0.800 25958 53 1 9 "Average Difference" CB 56 1.060 -0.274 1.034 25958 54 1 9 "Average Difference" HN 54 0.546 0.033 0.551 25958 55 1 10 "Average Difference" N 54 2.151 -0.201 2.161 25958 56 1 10 "Average Difference" HA 57 0.328 0.032 0.329 25958 57 1 10 "Average Difference" C 56 0.799 0.160 0.789 25958 58 1 10 "Average Difference" CA 56 0.954 0.160 0.950 25958 59 1 10 "Average Difference" CB 56 0.919 -0.333 0.865 25958 60 1 10 "Average Difference" HN 54 0.473 0.038 0.476 25958 61 1 11 "Average Difference" N 54 2.120 0.054 2.140 25958 62 1 11 "Average Difference" HA 57 0.331 -0.006 0.334 25958 63 1 11 "Average Difference" C 56 0.964 0.031 0.973 25958 64 1 11 "Average Difference" CA 56 0.832 0.080 0.836 25958 65 1 11 "Average Difference" CB 56 0.806 -0.267 0.767 25958 66 1 11 "Average Difference" HN 54 0.496 0.034 0.499 25958 67 1 12 "Average Difference" N 54 1.871 -0.163 1.882 25958 68 1 12 "Average Difference" HA 57 0.334 0.022 0.337 25958 69 1 12 "Average Difference" C 56 0.900 0.186 0.889 25958 70 1 12 "Average Difference" CA 56 0.758 0.094 0.759 25958 71 1 12 "Average Difference" CB 56 1.016 -0.251 0.993 25958 72 1 12 "Average Difference" HN 54 0.480 0.078 0.478 25958 73 1 13 "Average Difference" N 54 2.175 0.107 2.192 25958 74 1 13 "Average Difference" HA 57 0.346 0.024 0.348 25958 75 1 13 "Average Difference" C 56 0.971 0.110 0.973 25958 76 1 13 "Average Difference" CA 56 0.966 0.102 0.969 25958 77 1 13 "Average Difference" CB 56 1.036 -0.291 1.003 25958 78 1 13 "Average Difference" HN 54 0.520 0.082 0.518 25958 79 1 14 "Average Difference" N 54 2.027 0.009 2.046 25958 80 1 14 "Average Difference" HA 57 0.347 0.023 0.349 25958 81 1 14 "Average Difference" C 56 0.897 0.031 0.904 25958 82 1 14 "Average Difference" CA 56 0.723 0.093 0.724 25958 83 1 14 "Average Difference" CB 56 0.809 -0.238 0.780 25958 84 1 14 "Average Difference" HN 54 0.427 0.035 0.430 25958 85 1 15 "Average Difference" N 54 2.160 -0.165 2.173 25958 86 1 15 "Average Difference" HA 57 0.321 -0.001 0.324 25958 87 1 15 "Average Difference" C 56 0.835 0.212 0.815 25958 88 1 15 "Average Difference" CA 56 0.800 0.248 0.768 25958 89 1 15 "Average Difference" CB 56 0.850 -0.228 0.826 25958 90 1 15 "Average Difference" HN 54 0.494 0.026 0.498 25958 91 1 16 "Average Difference" N 54 2.298 0.058 2.318 25958 92 1 16 "Average Difference" HA 57 0.329 0.008 0.332 25958 93 1 16 "Average Difference" C 56 0.986 0.218 0.971 25958 94 1 16 "Average Difference" CA 56 1.025 0.165 1.021 25958 95 1 16 "Average Difference" CB 56 0.942 -0.251 0.916 25958 96 1 16 "Average Difference" HN 54 0.466 0.008 0.470 25958 97 1 17 "Average Difference" N 54 1.875 0.176 1.884 25958 98 1 17 "Average Difference" HA 57 0.331 0.013 0.333 25958 99 1 17 "Average Difference" C 56 0.959 0.087 0.963 25958 100 1 17 "Average Difference" CA 56 0.983 0.189 0.973 25958 101 1 17 "Average Difference" CB 56 0.903 -0.322 0.851 25958 102 1 17 "Average Difference" HN 54 0.492 0.058 0.494 25958 103 1 18 "Average Difference" N 54 2.001 -0.253 2.004 25958 104 1 18 "Average Difference" HA 57 0.296 -0.004 0.299 25958 105 1 18 "Average Difference" C 56 0.932 0.139 0.930 25958 106 1 18 "Average Difference" CA 56 0.989 0.159 0.985 25958 107 1 18 "Average Difference" CB 56 1.157 -0.519 1.044 25958 108 1 18 "Average Difference" HN 54 0.552 0.032 0.556 25958 109 1 19 "Average Difference" N 54 2.033 -0.080 2.051 25958 110 1 19 "Average Difference" HA 57 0.337 0.048 0.336 25958 111 1 19 "Average Difference" C 56 0.874 0.090 0.877 25958 112 1 19 "Average Difference" CA 56 0.962 0.016 0.971 25958 113 1 19 "Average Difference" CB 56 0.724 -0.213 0.698 25958 114 1 19 "Average Difference" HN 54 0.546 0.069 0.547 25958 115 1 20 "Average Difference" N 54 1.950 0.006 1.969 25958 116 1 20 "Average Difference" HA 57 0.366 0.008 0.369 25958 117 1 20 "Average Difference" C 56 0.998 0.040 1.006 25958 118 1 20 "Average Difference" CA 56 0.911 0.139 0.908 25958 119 1 20 "Average Difference" CB 56 0.973 -0.208 0.959 25958 120 1 20 "Average Difference" HN 54 0.479 0.037 0.482 25958 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 25958 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 121.276 121.276 122.556 -1.280 25958 2 1 . 1 1 2 2 ASP HA H 2 4.683 4.683 4.600 0.083 25958 3 1 . 1 1 2 2 ASP C C 2 175.828 175.828 176.257 -0.429 25958 4 1 . 1 1 2 2 ASP CA C 2 54.685 54.685 55.074 -0.389 25958 5 1 . 1 1 2 2 ASP CB C 2 40.974 40.974 40.850 0.124 25958 6 1 . 1 1 2 2 ASP H H 2 8.555 8.555 8.580 -0.025 25958 7 1 . 1 1 3 3 ASP N N 3 119.296 119.296 118.822 0.474 25958 8 1 . 1 1 3 3 ASP HA H 3 4.580 4.580 4.593 -0.013 25958 9 1 . 1 1 3 3 ASP C C 3 175.884 175.884 175.813 0.071 25958 10 1 . 1 1 3 3 ASP CA C 3 54.119 54.119 54.111 0.008 25958 11 1 . 1 1 3 3 ASP CB C 3 41.305 41.305 40.939 0.366 25958 12 1 . 1 1 3 3 ASP H H 3 8.004 8.004 8.099 -0.095 25958 13 1 . 1 1 4 4 GLU N N 4 120.922 120.922 120.079 0.843 25958 14 1 . 1 1 4 4 GLU HA H 4 4.135 4.135 4.187 -0.052 25958 15 1 . 1 1 4 4 GLU C C 4 174.979 174.979 175.707 -0.728 25958 16 1 . 1 1 4 4 GLU CA C 4 56.871 56.871 56.418 0.453 25958 17 1 . 1 1 4 4 GLU CB C 4 30.780 30.780 29.797 0.983 25958 18 1 . 1 1 4 4 GLU H H 4 7.945 7.945 7.870 0.075 25958 19 1 . 1 1 5 5 LEU N N 5 124.551 124.551 126.560 -2.009 25958 20 1 . 1 1 5 5 LEU HA H 5 4.539 4.539 4.256 0.283 25958 21 1 . 1 1 5 5 LEU C C 5 175.305 175.305 175.803 -0.498 25958 22 1 . 1 1 5 5 LEU CA C 5 54.871 54.871 54.991 -0.120 25958 23 1 . 1 1 5 5 LEU CB C 5 42.841 42.841 41.893 0.948 25958 24 1 . 1 1 5 5 LEU H H 5 8.042 8.042 8.401 -0.359 25958 25 1 . 1 1 6 6 LEU N N 6 127.945 127.945 127.296 0.649 25958 26 1 . 1 1 6 6 LEU HA H 6 4.512 4.512 4.519 -0.007 25958 27 1 . 1 1 6 6 LEU C C 6 174.919 174.919 176.184 -1.265 25958 28 1 . 1 1 6 6 LEU CA C 6 53.517 53.517 54.040 -0.523 25958 29 1 . 1 1 6 6 LEU CB C 6 45.589 45.589 43.403 2.186 25958 30 1 . 1 1 6 6 LEU H H 6 8.799 8.799 8.038 0.761 25958 31 1 . 1 1 7 7 TYR N N 7 117.176 117.176 121.197 -4.021 25958 32 1 . 1 1 7 7 TYR HA H 7 5.157 5.157 4.792 0.365 25958 33 1 . 1 1 7 7 TYR C C 7 175.335 175.335 175.054 0.281 25958 34 1 . 1 1 7 7 TYR CA C 7 57.432 57.432 57.428 0.003 25958 35 1 . 1 1 7 7 TYR CB C 7 40.944 40.944 40.196 0.748 25958 36 1 . 1 1 7 7 TYR H H 7 8.583 8.583 8.397 0.186 25958 37 1 . 1 1 8 8 LEU N N 8 128.094 128.094 127.462 0.632 25958 38 1 . 1 1 8 8 LEU HA H 8 5.152 5.152 4.844 0.308 25958 39 1 . 1 1 8 8 LEU C C 8 173.946 173.946 174.714 -0.768 25958 40 1 . 1 1 8 8 LEU CA C 8 51.618 51.618 52.287 -0.669 25958 41 1 . 1 1 8 8 LEU CB C 8 45.412 45.412 42.913 2.499 25958 42 1 . 1 1 8 8 LEU H H 8 9.308 9.308 8.500 0.808 25958 43 1 . 1 1 9 9 PRO HA H 9 4.527 4.527 4.734 -0.207 25958 44 1 . 1 1 9 9 PRO C C 9 176.758 176.758 175.843 0.915 25958 45 1 . 1 1 9 9 PRO CA C 9 62.090 62.090 62.914 -0.824 25958 46 1 . 1 1 9 9 PRO CB C 9 31.873 31.873 31.851 0.022 25958 47 1 . 1 1 10 10 VAL N N 10 124.047 124.047 123.233 0.815 25958 48 1 . 1 1 10 10 VAL HA H 10 4.209 4.209 4.387 -0.178 25958 49 1 . 1 1 10 10 VAL C C 10 173.446 173.446 174.949 -1.503 25958 50 1 . 1 1 10 10 VAL CA C 10 61.618 61.618 61.259 0.359 25958 51 1 . 1 1 10 10 VAL CB C 10 35.669 35.669 35.255 0.414 25958 52 1 . 1 1 10 10 VAL H H 10 9.193 9.193 8.168 1.025 25958 53 1 . 1 1 11 11 ARG N N 11 127.433 127.433 124.197 3.236 25958 54 1 . 1 1 11 11 ARG HA H 11 4.699 4.699 4.728 -0.029 25958 55 1 . 1 1 11 11 ARG C C 11 176.092 176.092 175.057 1.035 25958 56 1 . 1 1 11 11 ARG CA C 11 55.367 55.367 55.745 -0.378 25958 57 1 . 1 1 11 11 ARG CB C 11 30.605 30.605 30.533 0.072 25958 58 1 . 1 1 11 11 ARG H H 11 9.053 9.053 8.673 0.380 25958 59 1 . 1 1 12 12 GLY N N 12 115.279 115.279 112.000 3.279 25958 60 1 . 1 1 12 12 GLY C C 12 173.823 173.823 174.271 -0.448 25958 61 1 . 1 1 12 12 GLY CA C 12 44.951 44.951 45.354 -0.403 25958 62 1 . 1 1 12 12 GLY H H 12 8.614 8.614 8.247 0.367 25958 63 1 . 1 1 13 13 ARG N N 13 125.500 125.500 123.749 1.751 25958 64 1 . 1 1 13 13 ARG HA H 13 3.852 3.852 4.121 -0.269 25958 65 1 . 1 1 13 13 ARG C C 13 177.793 177.793 177.911 -0.118 25958 66 1 . 1 1 13 13 ARG CA C 13 59.204 59.204 58.663 0.541 25958 67 1 . 1 1 13 13 ARG CB C 13 29.767 29.767 30.327 -0.560 25958 68 1 . 1 1 13 13 ARG H H 13 8.774 8.774 8.747 0.027 25958 69 1 . 1 1 14 14 GLU N N 14 119.254 119.254 118.083 1.171 25958 70 1 . 1 1 14 14 GLU HA H 14 4.082 4.082 4.236 -0.154 25958 71 1 . 1 1 14 14 GLU C C 14 179.794 179.794 178.641 1.153 25958 72 1 . 1 1 14 14 GLU CA C 14 60.362 60.362 59.824 0.538 25958 73 1 . 1 1 14 14 GLU CB C 14 28.959 28.959 28.808 0.151 25958 74 1 . 1 1 14 14 GLU H H 14 8.888 8.888 8.888 0.000 25958 75 1 . 1 1 15 15 THR N N 15 117.699 117.699 116.294 1.405 25958 76 1 . 1 1 15 15 THR HA H 15 3.784 3.784 4.064 -0.280 25958 77 1 . 1 1 15 15 THR C C 15 175.457 175.457 176.305 -0.848 25958 78 1 . 1 1 15 15 THR CA C 15 66.498 66.498 66.383 0.115 25958 79 1 . 1 1 15 15 THR CB C 15 67.813 67.813 68.386 -0.573 25958 80 1 . 1 1 15 15 THR H H 15 7.958 7.958 8.153 -0.195 25958 81 1 . 1 1 16 16 TYR N N 16 122.365 122.365 122.652 -0.287 25958 82 1 . 1 1 16 16 TYR HA H 16 3.742 3.742 4.040 -0.298 25958 83 1 . 1 1 16 16 TYR C C 16 175.895 175.895 177.410 -1.515 25958 84 1 . 1 1 16 16 TYR CA C 16 63.096 63.096 61.716 1.380 25958 85 1 . 1 1 16 16 TYR CB C 16 39.224 39.224 38.663 0.561 25958 86 1 . 1 1 16 16 TYR H H 16 8.042 8.042 8.415 -0.373 25958 87 1 . 1 1 17 17 GLU N N 17 116.940 116.940 118.998 -2.058 25958 88 1 . 1 1 17 17 GLU HA H 17 3.827 3.827 3.808 0.019 25958 89 1 . 1 1 17 17 GLU C C 17 179.448 179.448 178.949 0.499 25958 90 1 . 1 1 17 17 GLU CA C 17 59.879 59.879 59.594 0.286 25958 91 1 . 1 1 17 17 GLU CB C 17 29.245 29.245 29.471 -0.226 25958 92 1 . 1 1 17 17 GLU H H 17 8.713 8.713 8.023 0.690 25958 93 1 . 1 1 18 18 MET N N 18 118.965 118.965 119.367 -0.402 25958 94 1 . 1 1 18 18 MET HA H 18 4.291 4.291 4.148 0.143 25958 95 1 . 1 1 18 18 MET C C 18 178.050 178.050 178.335 -0.285 25958 96 1 . 1 1 18 18 MET CA C 18 58.815 58.815 58.711 0.104 25958 97 1 . 1 1 18 18 MET CB C 18 32.736 32.736 32.588 0.148 25958 98 1 . 1 1 18 18 MET H H 18 7.505 7.505 8.049 -0.544 25958 99 1 . 1 1 19 19 LEU N N 19 117.499 117.499 120.565 -3.066 25958 100 1 . 1 1 19 19 LEU HA H 19 3.823 3.823 3.988 -0.165 25958 101 1 . 1 1 19 19 LEU C C 19 178.443 178.443 179.052 -0.609 25958 102 1 . 1 1 19 19 LEU CA C 19 57.561 57.561 58.109 -0.548 25958 103 1 . 1 1 19 19 LEU CB C 19 41.755 41.755 41.412 0.343 25958 104 1 . 1 1 19 19 LEU H H 19 8.151 8.151 8.186 -0.035 25958 105 1 . 1 1 20 20 LEU N N 20 120.873 120.873 119.913 0.960 25958 106 1 . 1 1 20 20 LEU HA H 20 3.764 3.764 3.734 0.030 25958 107 1 . 1 1 20 20 LEU C C 20 178.475 178.475 178.428 0.047 25958 108 1 . 1 1 20 20 LEU CA C 20 58.702 58.702 58.197 0.505 25958 109 1 . 1 1 20 20 LEU CB C 20 41.865 41.865 41.448 0.417 25958 110 1 . 1 1 20 20 LEU H H 20 8.649 8.649 8.360 0.289 25958 111 1 . 1 1 21 21 GLU N N 21 118.433 118.433 119.813 -1.380 25958 112 1 . 1 1 21 21 GLU HA H 21 4.061 4.061 3.943 0.118 25958 113 1 . 1 1 21 21 GLU C C 21 179.572 179.572 179.225 0.347 25958 114 1 . 1 1 21 21 GLU CA C 21 59.700 59.700 59.759 -0.058 25958 115 1 . 1 1 21 21 GLU CB C 21 29.294 29.294 29.580 -0.286 25958 116 1 . 1 1 21 21 GLU H H 21 7.379 7.379 8.061 -0.682 25958 117 1 . 1 1 22 22 ILE N N 22 116.978 116.978 119.618 -2.640 25958 118 1 . 1 1 22 22 ILE HA H 22 3.715 3.715 3.769 -0.054 25958 119 1 . 1 1 22 22 ILE C C 22 177.909 177.909 178.160 -0.251 25958 120 1 . 1 1 22 22 ILE CA C 22 64.520 64.520 64.912 -0.392 25958 121 1 . 1 1 22 22 ILE CB C 22 37.912 37.912 37.906 0.006 25958 122 1 . 1 1 22 22 ILE H H 22 7.649 7.649 8.185 -0.536 25958 123 1 . 1 1 23 23 LYS N N 23 122.631 122.631 120.679 1.952 25958 124 1 . 1 1 23 23 LYS HA H 23 3.708 3.708 3.901 -0.193 25958 125 1 . 1 1 23 23 LYS C C 23 177.322 177.322 178.535 -1.213 25958 126 1 . 1 1 23 23 LYS CA C 23 60.543 60.543 59.723 0.820 25958 127 1 . 1 1 23 23 LYS CB C 23 32.495 32.495 32.035 0.460 25958 128 1 . 1 1 23 23 LYS H H 23 9.094 9.094 8.014 1.080 25958 129 1 . 1 1 24 24 GLU N N 24 117.756 117.756 119.265 -1.509 25958 130 1 . 1 1 24 24 GLU HA H 24 4.241 4.241 3.997 0.244 25958 131 1 . 1 1 24 24 GLU C C 24 177.755 177.755 178.910 -1.155 25958 132 1 . 1 1 24 24 GLU CA C 24 59.767 59.767 59.615 0.152 25958 133 1 . 1 1 24 24 GLU CB C 24 29.767 29.767 29.443 0.324 25958 134 1 . 1 1 24 24 GLU H H 24 8.320 8.320 8.450 -0.130 25958 135 1 . 1 1 25 25 SER N N 25 114.010 114.010 115.927 -1.917 25958 136 1 . 1 1 25 25 SER HA H 25 4.174 4.174 4.146 0.028 25958 137 1 . 1 1 25 25 SER C C 25 175.840 175.840 176.789 -0.949 25958 138 1 . 1 1 25 25 SER CA C 25 62.272 62.272 61.821 0.451 25958 139 1 . 1 1 25 25 SER CB C 25 63.277 63.277 62.895 0.382 25958 140 1 . 1 1 25 25 SER H H 25 7.425 7.425 8.061 -0.636 25958 141 1 . 1 1 26 26 LEU N N 26 122.202 122.202 123.123 -0.921 25958 142 1 . 1 1 26 26 LEU HA H 26 4.045 4.045 4.067 -0.022 25958 143 1 . 1 1 26 26 LEU C C 26 180.418 180.418 178.490 1.928 25958 144 1 . 1 1 26 26 LEU CA C 26 57.999 57.999 57.670 0.329 25958 145 1 . 1 1 26 26 LEU CB C 26 42.710 42.710 41.579 1.131 25958 146 1 . 1 1 26 26 LEU H H 26 7.625 7.625 7.876 -0.251 25958 147 1 . 1 1 27 27 GLU N N 27 118.591 118.591 119.737 -1.146 25958 148 1 . 1 1 27 27 GLU HA H 27 4.079 4.079 3.974 0.105 25958 149 1 . 1 1 27 27 GLU C C 27 180.128 180.128 179.297 0.831 25958 150 1 . 1 1 27 27 GLU CA C 27 59.636 59.636 59.648 -0.012 25958 151 1 . 1 1 27 27 GLU CB C 27 29.557 29.557 29.598 -0.041 25958 152 1 . 1 1 27 27 GLU H H 27 8.593 8.593 8.218 0.375 25958 153 1 . 1 1 28 28 LEU N N 28 119.793 119.793 120.302 -0.509 25958 154 1 . 1 1 28 28 LEU HA H 28 3.967 3.967 4.133 -0.166 25958 155 1 . 1 1 28 28 LEU C C 28 178.567 178.567 179.172 -0.605 25958 156 1 . 1 1 28 28 LEU CA C 28 57.289 57.289 57.901 -0.612 25958 157 1 . 1 1 28 28 LEU CB C 28 41.847 41.847 41.439 0.408 25958 158 1 . 1 1 28 28 LEU H H 28 8.468 8.468 8.424 0.044 25958 159 1 . 1 1 29 29 MET N N 29 115.804 115.804 118.577 -2.773 25958 160 1 . 1 1 29 29 MET HA H 29 3.928 3.928 4.041 -0.113 25958 161 1 . 1 1 29 29 MET C C 29 177.907 177.907 178.043 -0.136 25958 162 1 . 1 1 29 29 MET CA C 29 58.463 58.463 58.572 -0.109 25958 163 1 . 1 1 29 29 MET CB C 29 33.047 33.047 32.171 0.876 25958 164 1 . 1 1 29 29 MET H H 29 7.279 7.279 8.089 -0.810 25958 165 1 . 1 1 30 30 GLN N N 30 114.048 114.048 117.107 -3.059 25958 166 1 . 1 1 30 30 GLN HA H 30 4.120 4.120 4.106 0.014 25958 167 1 . 1 1 30 30 GLN C C 30 176.520 176.520 177.821 -1.301 25958 168 1 . 1 1 30 30 GLN CA C 30 56.935 56.935 58.092 -1.157 25958 169 1 . 1 1 30 30 GLN CB C 30 28.342 28.342 28.888 -0.546 25958 170 1 . 1 1 30 30 GLN H H 30 7.138 7.138 7.930 -0.792 25958 171 1 . 1 1 31 31 TYR N N 31 117.000 117.000 118.568 -1.568 25958 172 1 . 1 1 31 31 TYR HA H 31 4.483 4.483 4.393 0.090 25958 173 1 . 1 1 31 31 TYR C C 31 176.095 176.095 175.884 0.211 25958 174 1 . 1 1 31 31 TYR CA C 31 58.425 58.425 59.924 -1.499 25958 175 1 . 1 1 31 31 TYR CB C 31 38.492 38.492 39.835 -1.343 25958 176 1 . 1 1 31 31 TYR H H 31 7.764 7.764 7.787 -0.023 25958 177 1 . 1 1 32 32 LEU N N 32 120.517 120.517 120.147 0.370 25958 178 1 . 1 1 32 32 LEU HA H 32 2.906 2.906 4.831 -1.925 25958 179 1 . 1 1 32 32 LEU C C 32 174.141 174.141 174.755 -0.614 25958 180 1 . 1 1 32 32 LEU CA C 32 52.337 52.337 51.909 0.428 25958 181 1 . 1 1 32 32 LEU CB C 32 42.269 42.269 42.718 -0.449 25958 182 1 . 1 1 32 32 LEU H H 32 7.368 7.368 8.023 -0.655 25958 183 1 . 1 1 34 34 GLN HA H 34 4.547 4.547 4.167 0.380 25958 184 1 . 1 1 34 34 GLN CB C 34 32.286 32.286 29.110 3.176 25958 185 1 . 1 1 35 35 HIS N N 35 124.090 124.090 120.269 3.821 25958 186 1 . 1 1 35 35 HIS HA H 35 4.472 4.472 4.258 0.214 25958 187 1 . 1 1 35 35 HIS C C 35 177.836 177.836 177.454 0.382 25958 188 1 . 1 1 35 35 HIS CA C 35 59.366 59.366 60.034 -0.668 25958 189 1 . 1 1 35 35 HIS CB C 35 29.512 29.512 29.705 -0.193 25958 190 1 . 1 1 35 35 HIS H H 35 8.869 8.869 8.651 0.218 25958 191 1 . 1 1 36 36 THR N N 36 119.182 119.182 115.401 3.781 25958 192 1 . 1 1 36 36 THR HA H 36 3.946 3.946 4.065 -0.119 25958 193 1 . 1 1 36 36 THR C C 36 176.029 176.029 176.559 -0.530 25958 194 1 . 1 1 36 36 THR CA C 36 66.606 66.606 66.658 -0.052 25958 195 1 . 1 1 36 36 THR CB C 36 68.598 68.598 68.437 0.161 25958 196 1 . 1 1 36 36 THR H H 36 7.138 7.138 8.209 -1.071 25958 197 1 . 1 1 37 37 ILE N N 37 122.903 122.903 121.565 1.338 25958 198 1 . 1 1 37 37 ILE HA H 37 3.562 3.562 3.818 -0.255 25958 199 1 . 1 1 37 37 ILE C C 37 177.685 177.685 177.743 -0.058 25958 200 1 . 1 1 37 37 ILE CA C 37 65.667 65.667 64.113 1.554 25958 201 1 . 1 1 37 37 ILE CB C 37 38.204 38.204 37.170 1.034 25958 202 1 . 1 1 37 37 ILE H H 37 7.193 7.193 7.779 -0.586 25958 203 1 . 1 1 38 38 GLU N N 38 118.719 118.719 120.540 -1.821 25958 204 1 . 1 1 38 38 GLU HA H 38 4.049 4.049 3.948 0.101 25958 205 1 . 1 1 38 38 GLU C C 38 179.575 179.575 179.019 0.556 25958 206 1 . 1 1 38 38 GLU CA C 38 59.745 59.745 60.150 -0.405 25958 207 1 . 1 1 38 38 GLU CB C 38 29.441 29.441 29.567 -0.126 25958 208 1 . 1 1 38 38 GLU H H 38 8.578 8.578 8.423 0.155 25958 209 1 . 1 1 39 39 THR N N 39 116.297 116.297 116.710 -0.413 25958 210 1 . 1 1 39 39 THR HA H 39 3.936 3.936 4.002 -0.066 25958 211 1 . 1 1 39 39 THR C C 39 176.203 176.203 176.468 -0.265 25958 212 1 . 1 1 39 39 THR CA C 39 66.989 66.989 67.043 -0.054 25958 213 1 . 1 1 39 39 THR CB C 39 68.845 68.845 68.667 0.178 25958 214 1 . 1 1 39 39 THR H H 39 8.124 8.124 8.114 0.010 25958 215 1 . 1 1 40 40 TYR N N 40 123.453 123.453 122.863 0.590 25958 216 1 . 1 1 40 40 TYR HA H 40 4.223 4.223 4.105 0.118 25958 217 1 . 1 1 40 40 TYR C C 40 178.058 178.058 177.439 0.619 25958 218 1 . 1 1 40 40 TYR CA C 40 61.902 61.902 61.653 0.249 25958 219 1 . 1 1 40 40 TYR CB C 40 38.583 38.583 38.390 0.193 25958 220 1 . 1 1 40 40 TYR H H 40 7.730 7.730 8.370 -0.640 25958 221 1 . 1 1 41 41 ARG N N 41 119.944 119.944 118.755 1.189 25958 222 1 . 1 1 41 41 ARG HA H 41 3.802 3.802 3.874 -0.072 25958 223 1 . 1 1 41 41 ARG C C 41 179.552 179.552 178.640 0.912 25958 224 1 . 1 1 41 41 ARG CA C 41 60.487 60.487 59.401 1.085 25958 225 1 . 1 1 41 41 ARG CB C 41 30.078 30.078 29.861 0.217 25958 226 1 . 1 1 41 41 ARG H H 41 8.635 8.635 8.370 0.265 25958 227 1 . 1 1 42 42 GLN N N 42 119.455 119.455 119.156 0.299 25958 228 1 . 1 1 42 42 GLN HA H 42 4.083 4.083 3.983 0.100 25958 229 1 . 1 1 42 42 GLN C C 42 178.700 178.700 178.423 0.277 25958 230 1 . 1 1 42 42 GLN CA C 42 58.828 58.828 59.105 -0.277 25958 231 1 . 1 1 42 42 GLN CB C 42 28.352 28.352 28.474 -0.122 25958 232 1 . 1 1 42 42 GLN H H 42 8.225 8.225 8.180 0.045 25958 233 1 . 1 1 43 43 GLN N N 43 118.905 118.905 119.096 -0.191 25958 234 1 . 1 1 43 43 GLN HA H 43 4.088 4.088 3.935 0.153 25958 235 1 . 1 1 43 43 GLN C C 43 178.664 178.664 178.435 0.229 25958 236 1 . 1 1 43 43 GLN CA C 43 58.347 58.347 58.949 -0.602 25958 237 1 . 1 1 43 43 GLN CB C 43 28.179 28.179 28.395 -0.216 25958 238 1 . 1 1 43 43 GLN H H 43 7.894 7.894 8.333 -0.439 25958 239 1 . 1 1 44 44 GLN N N 44 117.762 117.762 119.014 -1.252 25958 240 1 . 1 1 44 44 GLN HA H 44 3.947 3.947 3.933 0.014 25958 241 1 . 1 1 44 44 GLN C C 44 178.320 178.320 178.476 -0.156 25958 242 1 . 1 1 44 44 GLN CA C 44 57.285 57.285 58.787 -1.502 25958 243 1 . 1 1 44 44 GLN CB C 44 28.161 28.161 28.291 -0.130 25958 244 1 . 1 1 44 44 GLN H H 44 8.034 8.034 8.096 -0.062 25958 245 1 . 1 1 45 45 GLN N N 45 119.382 119.382 119.361 0.021 25958 246 1 . 1 1 45 45 GLN HA H 45 4.191 4.191 4.011 0.181 25958 247 1 . 1 1 45 45 GLN C C 45 177.742 177.742 178.510 -0.768 25958 248 1 . 1 1 45 45 GLN CA C 45 58.171 58.171 58.771 -0.600 25958 249 1 . 1 1 45 45 GLN CB C 45 28.493 28.493 28.504 -0.011 25958 250 1 . 1 1 45 45 GLN H H 45 7.997 7.997 7.983 0.014 25958 251 1 . 1 1 46 46 GLN N N 46 118.664 118.664 119.275 -0.611 25958 252 1 . 1 1 46 46 GLN HA H 46 4.196 4.196 3.941 0.255 25958 253 1 . 1 1 46 46 GLN C C 46 177.540 177.540 178.306 -0.766 25958 254 1 . 1 1 46 46 GLN CA C 46 57.685 57.685 58.880 -1.195 25958 255 1 . 1 1 46 46 GLN CB C 46 28.743 28.743 28.408 0.335 25958 256 1 . 1 1 46 46 GLN H H 46 7.870 7.870 8.174 -0.304 25958 257 1 . 1 1 47 47 GLN N N 47 118.622 118.622 118.731 -0.109 25958 258 1 . 1 1 47 47 GLN C C 47 177.073 177.073 178.173 -1.100 25958 259 1 . 1 1 47 47 GLN CA C 47 57.328 57.328 58.876 -1.548 25958 260 1 . 1 1 47 47 GLN CB C 47 28.925 28.925 28.544 0.381 25958 261 1 . 1 1 47 47 GLN H H 47 8.043 8.043 8.119 -0.076 25958 262 1 . 1 1 48 48 HIS HA H 48 4.573 4.573 4.267 0.306 25958 263 1 . 1 1 48 48 HIS C C 48 176.277 176.277 177.520 -1.243 25958 264 1 . 1 1 48 48 HIS CA C 48 57.913 57.913 59.105 -1.192 25958 265 1 . 1 1 48 48 HIS CB C 48 30.219 30.219 29.900 0.319 25958 266 1 . 1 1 49 49 GLN N N 49 119.554 119.554 118.117 1.437 25958 267 1 . 1 1 49 49 GLN HA H 49 4.215 4.215 3.996 0.219 25958 268 1 . 1 1 49 49 GLN C C 49 176.896 176.896 178.173 -1.277 25958 269 1 . 1 1 49 49 GLN CA C 49 57.545 57.545 58.661 -1.116 25958 270 1 . 1 1 49 49 GLN CB C 49 28.874 28.874 28.605 0.269 25958 271 1 . 1 1 49 49 GLN H H 49 8.117 8.117 7.996 0.121 25958 272 1 . 1 1 50 50 HIS N N 50 118.665 118.665 118.046 0.619 25958 273 1 . 1 1 50 50 HIS HA H 50 4.548 4.548 4.395 0.153 25958 274 1 . 1 1 50 50 HIS C C 50 176.265 176.265 177.303 -1.038 25958 275 1 . 1 1 50 50 HIS CA C 50 57.300 57.300 57.916 -0.616 25958 276 1 . 1 1 50 50 HIS CB C 50 30.189 30.189 30.028 0.161 25958 277 1 . 1 1 50 50 HIS H H 50 8.138 8.138 7.981 0.157 25958 278 1 . 1 1 51 51 LEU N N 51 121.208 121.208 120.145 1.063 25958 279 1 . 1 1 51 51 LEU HA H 51 4.170 4.170 4.132 0.038 25958 280 1 . 1 1 51 51 LEU C C 51 177.627 177.627 177.869 -0.242 25958 281 1 . 1 1 51 51 LEU CA C 51 56.203 56.203 57.004 -0.801 25958 282 1 . 1 1 51 51 LEU CB C 51 42.144 42.144 42.004 0.140 25958 283 1 . 1 1 51 51 LEU H H 51 7.809 7.809 7.851 -0.042 25958 284 1 . 1 1 52 52 LEU N N 52 120.700 120.700 118.221 2.479 25958 285 1 . 1 1 52 52 LEU HA H 52 4.178 4.178 4.206 -0.028 25958 286 1 . 1 1 52 52 LEU C C 52 177.799 177.799 176.911 0.888 25958 287 1 . 1 1 52 52 LEU CA C 52 55.993 55.993 55.622 0.371 25958 288 1 . 1 1 52 52 LEU CB C 52 42.118 42.118 42.251 -0.133 25958 289 1 . 1 1 52 52 LEU H H 52 7.924 7.924 7.695 0.229 25958 290 1 . 1 1 53 53 GLN N N 53 119.631 119.631 117.575 2.056 25958 291 1 . 1 1 53 53 GLN HA H 53 4.215 4.215 4.076 0.139 25958 292 1 . 1 1 53 53 GLN C C 53 176.327 176.327 175.310 1.017 25958 293 1 . 1 1 53 53 GLN CA C 53 56.492 56.492 56.495 -0.002 25958 294 1 . 1 1 53 53 GLN CB C 53 29.202 29.202 28.125 1.077 25958 295 1 . 1 1 53 53 GLN H H 53 7.986 7.986 7.775 0.211 25958 296 1 . 1 1 54 54 LYS N N 54 121.278 121.278 121.218 0.060 25958 297 1 . 1 1 54 54 LYS HA H 54 4.227 4.227 4.340 -0.113 25958 298 1 . 1 1 54 54 LYS C C 54 176.812 176.812 176.192 0.620 25958 299 1 . 1 1 54 54 LYS CA C 54 56.680 56.680 56.296 0.383 25958 300 1 . 1 1 54 54 LYS CB C 54 32.898 32.898 32.985 -0.087 25958 301 1 . 1 1 54 54 LYS H H 54 8.053 8.053 8.361 -0.308 25958 302 1 . 1 1 55 55 GLN N N 55 120.539 120.539 120.077 0.462 25958 303 1 . 1 1 55 55 GLN HA H 55 4.322 4.322 4.324 -0.002 25958 304 1 . 1 1 55 55 GLN C C 55 176.291 176.291 175.406 0.885 25958 305 1 . 1 1 55 55 GLN CA C 55 56.199 56.199 56.171 0.028 25958 306 1 . 1 1 55 55 GLN CB C 55 29.392 29.392 29.511 -0.119 25958 307 1 . 1 1 55 55 GLN H H 55 8.249 8.249 8.275 -0.026 25958 308 1 . 1 1 56 56 THR N N 56 114.334 114.334 114.194 0.140 25958 309 1 . 1 1 56 56 THR HA H 56 4.347 4.347 4.405 -0.058 25958 310 1 . 1 1 56 56 THR C C 56 174.526 174.526 174.107 0.419 25958 311 1 . 1 1 56 56 THR CA C 56 62.075 62.075 62.199 -0.124 25958 312 1 . 1 1 56 56 THR CB C 56 69.852 69.852 69.432 0.420 25958 313 1 . 1 1 56 56 THR H H 56 8.063 8.063 8.190 -0.127 25958 314 1 . 1 1 57 57 SER N N 57 117.856 117.856 117.891 -0.035 25958 315 1 . 1 1 57 57 SER HA H 57 4.502 4.502 4.557 -0.055 25958 316 1 . 1 1 57 57 SER C C 57 174.275 174.275 173.915 0.360 25958 317 1 . 1 1 57 57 SER CA C 57 58.405 58.405 58.225 0.180 25958 318 1 . 1 1 57 57 SER CB C 57 63.949 63.949 63.768 0.181 25958 319 1 . 1 1 57 57 SER H H 57 8.163 8.163 8.257 -0.094 25958 320 1 . 1 1 58 58 ILE N N 58 122.144 122.144 121.823 0.321 25958 321 1 . 1 1 58 58 ILE HA H 58 4.194 4.194 4.245 -0.051 25958 322 1 . 1 1 58 58 ILE C C 58 176.006 176.006 174.898 1.108 25958 323 1 . 1 1 58 58 ILE CA C 58 61.275 61.275 61.508 -0.233 25958 324 1 . 1 1 58 58 ILE CB C 58 38.820 38.820 39.261 -0.441 25958 325 1 . 1 1 58 58 ILE H H 58 8.049 8.049 8.198 -0.149 25958 326 1 . 1 1 59 59 GLN N N 59 124.842 124.842 122.722 2.120 25958 327 1 . 1 1 59 59 GLN HA H 59 4.416 4.416 4.684 -0.268 25958 328 1 . 1 1 59 59 GLN C C 59 174.974 174.974 174.696 0.278 25958 329 1 . 1 1 59 59 GLN CA C 59 55.845 55.845 55.610 0.235 25958 330 1 . 1 1 59 59 GLN CB C 59 29.748 29.748 30.646 -0.898 25958 331 1 . 1 1 59 59 GLN H H 59 8.327 8.327 8.419 -0.092 25958 stop_ save_