data_25706 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25706 _Entry.PDB_ID 2N5D 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 25706 _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 PRO HA H 2 4.472 4.472 4.436 0.036 25706 2 1 1 . 1 1 2 2 PRO C C 2 177.459 177.459 176.645 0.814 25706 3 1 1 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.926 0.648 25706 4 1 1 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.523 -0.377 25706 5 1 1 . 1 1 3 3 GLY N N 3 109.882 109.882 109.616 0.266 25706 6 1 1 . 1 1 3 3 GLY C C 3 174.103 174.103 174.806 -0.703 25706 7 1 1 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.010 0.262 25706 8 1 1 . 1 1 3 3 GLY H H 3 8.645 8.645 8.092 0.553 25706 9 1 1 . 1 1 4 4 SER N N 4 115.534 115.534 116.320 -0.786 25706 10 1 1 . 1 1 4 4 SER HA H 4 4.438 4.438 4.288 0.150 25706 11 1 1 . 1 1 4 4 SER C C 4 174.137 174.137 175.190 -1.053 25706 12 1 1 . 1 1 4 4 SER CA C 4 58.319 58.319 60.051 -1.732 25706 13 1 1 . 1 1 4 4 SER CB C 4 63.864 63.864 63.226 0.638 25706 14 1 1 . 1 1 4 4 SER H H 4 8.127 8.127 8.846 -0.719 25706 15 1 1 . 1 1 5 5 TYR N N 5 122.533 122.533 118.672 3.861 25706 16 1 1 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.673 -0.003 25706 17 1 1 . 1 1 5 5 TYR C C 5 176.109 176.109 176.251 -0.142 25706 18 1 1 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.078 1.037 25706 19 1 1 . 1 1 5 5 TYR CB C 5 38.855 38.855 38.236 0.619 25706 20 1 1 . 1 1 5 5 TYR H H 5 8.349 8.349 7.441 0.908 25706 21 1 1 . 1 1 6 6 THR N N 6 116.290 116.290 115.414 0.876 25706 22 1 1 . 1 1 6 6 THR HA H 6 4.305 4.305 3.733 0.572 25706 23 1 1 . 1 1 6 6 THR C C 6 174.899 174.899 175.328 -0.429 25706 24 1 1 . 1 1 6 6 THR CA C 6 61.743 61.743 62.983 -1.240 25706 25 1 1 . 1 1 6 6 THR CB C 6 69.859 69.859 69.037 0.823 25706 26 1 1 . 1 1 6 6 THR H H 6 8.177 8.177 7.129 1.048 25706 27 1 1 . 1 1 7 7 GLY N N 7 110.576 110.576 106.244 4.332 25706 28 1 1 . 1 1 7 7 GLY C C 7 173.596 173.596 174.645 -1.049 25706 29 1 1 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.592 -0.245 25706 30 1 1 . 1 1 7 7 GLY H H 7 7.646 7.646 8.387 -0.741 25706 31 1 1 . 1 1 8 8 ALA N N 8 123.499 123.499 122.510 0.989 25706 32 1 1 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.285 0.070 25706 33 1 1 . 1 1 8 8 ALA C C 8 178.119 178.119 177.839 0.280 25706 34 1 1 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.650 -0.103 25706 35 1 1 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.054 0.333 25706 36 1 1 . 1 1 8 8 ALA H H 8 8.171 8.171 8.105 0.066 25706 37 1 1 . 1 1 9 9 GLY N N 9 108.467 108.467 106.906 1.561 25706 38 1 1 . 1 1 9 9 GLY C C 9 173.664 173.664 173.948 -0.284 25706 39 1 1 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.878 0.251 25706 40 1 1 . 1 1 9 9 GLY H H 9 8.398 8.398 8.363 0.035 25706 41 1 1 . 1 1 10 10 GLU N N 10 121.535 121.535 121.659 -0.124 25706 42 1 1 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.738 -0.140 25706 43 1 1 . 1 1 10 10 GLU CA C 10 54.252 54.252 53.914 0.337 25706 44 1 1 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.613 -0.654 25706 45 1 1 . 1 1 10 10 GLU H H 10 8.230 8.230 8.495 -0.265 25706 46 1 1 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.444 0.010 25706 47 1 1 . 1 1 11 11 PRO C C 11 176.799 176.799 175.733 1.066 25706 48 1 1 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.027 0.275 25706 49 1 1 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.681 -0.657 25706 50 1 1 . 1 1 12 12 SER N N 12 117.122 117.122 116.660 0.462 25706 51 1 1 . 1 1 12 12 SER HA H 12 4.469 4.469 4.746 -0.277 25706 52 1 1 . 1 1 12 12 SER C C 12 174.904 174.904 176.082 -1.178 25706 53 1 1 . 1 1 12 12 SER CA C 12 57.876 57.876 55.834 2.042 25706 54 1 1 . 1 1 12 12 SER CB C 12 64.624 64.624 65.233 -0.609 25706 55 1 1 . 1 1 12 12 SER H H 12 8.721 8.721 8.762 -0.041 25706 56 1 1 . 1 1 13 13 GLN N N 13 121.678 121.678 124.905 -3.227 25706 57 1 1 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.067 0.053 25706 58 1 1 . 1 1 13 13 GLN C C 13 178.113 178.113 177.175 0.938 25706 59 1 1 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.536 -0.679 25706 60 1 1 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.218 0.524 25706 61 1 1 . 1 1 13 13 GLN H H 13 8.660 8.660 9.052 -0.392 25706 62 1 1 . 1 1 14 14 ALA N N 14 122.557 122.557 121.630 0.927 25706 63 1 1 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.146 0.062 25706 64 1 1 . 1 1 14 14 ALA C C 14 179.168 179.168 178.532 0.636 25706 65 1 1 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.316 -0.252 25706 66 1 1 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.331 0.643 25706 67 1 1 . 1 1 14 14 ALA H H 14 8.251 8.251 7.726 0.525 25706 68 1 1 . 1 1 15 15 ASP N N 15 120.191 120.191 119.075 1.116 25706 69 1 1 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.642 -0.147 25706 70 1 1 . 1 1 15 15 ASP C C 15 178.121 178.121 178.253 -0.132 25706 71 1 1 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.432 -0.929 25706 72 1 1 . 1 1 15 15 ASP CB C 15 40.585 40.585 41.212 -0.627 25706 73 1 1 . 1 1 15 15 ASP H H 15 8.049 8.049 7.689 0.360 25706 74 1 1 . 1 1 16 16 LEU N N 16 122.661 122.661 120.964 1.697 25706 75 1 1 . 1 1 16 16 LEU HA H 16 4.003 4.003 4.015 -0.012 25706 76 1 1 . 1 1 16 16 LEU C C 16 178.320 178.320 178.591 -0.271 25706 77 1 1 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.793 -0.058 25706 78 1 1 . 1 1 16 16 LEU CB C 16 41.917 41.917 42.132 -0.215 25706 79 1 1 . 1 1 16 16 LEU H H 16 8.258 8.258 7.759 0.499 25706 80 1 1 . 1 1 17 17 ASP N N 17 119.364 119.364 119.362 0.002 25706 81 1 1 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.300 -0.057 25706 82 1 1 . 1 1 17 17 ASP C C 17 178.534 178.534 177.774 0.760 25706 83 1 1 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.688 0.406 25706 84 1 1 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.636 0.819 25706 85 1 1 . 1 1 17 17 ASP H H 17 8.299 8.299 8.330 -0.031 25706 86 1 1 . 1 1 18 18 ALA N N 18 121.057 121.057 121.590 -0.533 25706 87 1 1 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.143 -0.018 25706 88 1 1 . 1 1 18 18 ALA C C 18 180.942 180.942 179.685 1.257 25706 89 1 1 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.838 0.109 25706 90 1 1 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.285 -0.068 25706 91 1 1 . 1 1 18 18 ALA H H 18 7.851 7.851 8.185 -0.334 25706 92 1 1 . 1 1 19 19 LEU N N 19 122.159 122.159 119.453 2.706 25706 93 1 1 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.146 -0.171 25706 94 1 1 . 1 1 19 19 LEU C C 19 178.447 178.447 178.574 -0.127 25706 95 1 1 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.122 1.692 25706 96 1 1 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.223 0.150 25706 97 1 1 . 1 1 19 19 LEU H H 19 7.941 7.941 7.299 0.642 25706 98 1 1 . 1 1 20 20 LEU N N 20 119.065 119.065 119.223 -0.158 25706 99 1 1 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.889 -0.179 25706 100 1 1 . 1 1 20 20 LEU C C 20 179.763 179.763 179.086 0.677 25706 101 1 1 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.189 0.208 25706 102 1 1 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.468 -1.602 25706 103 1 1 . 1 1 20 20 LEU H H 20 8.454 8.454 8.539 -0.085 25706 104 1 1 . 1 1 21 21 SER N N 21 115.603 115.603 114.646 0.957 25706 105 1 1 . 1 1 21 21 SER HA H 21 4.199 4.199 4.160 0.039 25706 106 1 1 . 1 1 21 21 SER C C 21 175.002 175.002 176.157 -1.155 25706 107 1 1 . 1 1 21 21 SER CA C 21 62.502 62.502 61.609 0.893 25706 108 1 1 . 1 1 21 21 SER CB C 21 62.806 62.806 62.947 -0.140 25706 109 1 1 . 1 1 21 21 SER H H 21 8.248 8.248 8.003 0.245 25706 110 1 1 . 1 1 22 22 ALA N N 22 123.437 123.437 123.643 -0.206 25706 111 1 1 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.172 -0.106 25706 112 1 1 . 1 1 22 22 ALA C C 22 180.273 180.273 178.854 1.419 25706 113 1 1 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.777 0.710 25706 114 1 1 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.428 -0.197 25706 115 1 1 . 1 1 22 22 ALA H H 22 7.982 7.982 7.446 0.536 25706 116 1 1 . 1 1 23 23 VAL N N 23 119.580 119.580 119.229 0.351 25706 117 1 1 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.216 0.017 25706 118 1 1 . 1 1 23 23 VAL C C 23 180.144 180.144 178.140 2.004 25706 119 1 1 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.110 1.364 25706 120 1 1 . 1 1 23 23 VAL CB C 23 32.211 32.211 32.106 0.105 25706 121 1 1 . 1 1 23 23 VAL H H 23 8.382 8.382 7.625 0.757 25706 122 1 1 . 1 1 24 24 ARG N N 24 122.585 122.585 121.726 0.859 25706 123 1 1 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.071 -0.150 25706 124 1 1 . 1 1 24 24 ARG C C 24 177.169 177.169 177.609 -0.440 25706 125 1 1 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.423 1.091 25706 126 1 1 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.019 -0.124 25706 127 1 1 . 1 1 24 24 ARG H H 24 8.589 8.589 8.613 -0.024 25706 128 1 1 . 1 1 25 25 ASP N N 25 115.538 115.538 117.243 -1.705 25706 129 1 1 . 1 1 25 25 ASP C C 25 175.579 175.579 175.613 -0.034 25706 130 1 1 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.717 0.636 25706 131 1 1 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.065 0.650 25706 132 1 1 . 1 1 25 25 ASP H H 25 8.083 8.083 8.027 0.056 25706 133 1 1 . 1 1 26 26 ASN N N 26 113.668 113.668 116.426 -2.758 25706 134 1 1 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.383 0.109 25706 135 1 1 . 1 1 26 26 ASN C C 26 174.953 174.953 175.491 -0.538 25706 136 1 1 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.363 0.860 25706 137 1 1 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.688 -0.237 25706 138 1 1 . 1 1 26 26 ASN H H 26 7.860 7.860 7.935 -0.075 25706 139 1 1 . 1 1 27 27 ARG N N 27 117.078 117.078 116.507 0.571 25706 140 1 1 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.289 0.014 25706 141 1 1 . 1 1 27 27 ARG C C 27 176.011 176.011 176.476 -0.465 25706 142 1 1 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.485 1.097 25706 143 1 1 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.892 0.482 25706 144 1 1 . 1 1 27 27 ARG H H 27 8.700 8.700 8.389 0.311 25706 145 1 1 . 1 1 28 28 LEU N N 28 119.538 119.538 120.651 -1.113 25706 146 1 1 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.691 -0.065 25706 147 1 1 . 1 1 28 28 LEU C C 28 175.563 175.563 175.974 -0.411 25706 148 1 1 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.945 0.458 25706 149 1 1 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.824 1.896 25706 150 1 1 . 1 1 28 28 LEU H H 28 7.101 7.101 7.680 -0.579 25706 151 1 1 . 1 1 29 29 SER N N 29 119.714 119.714 119.205 0.509 25706 152 1 1 . 1 1 29 29 SER HA H 29 4.512 4.512 4.656 -0.144 25706 153 1 1 . 1 1 29 29 SER C C 29 174.769 174.769 175.825 -1.056 25706 154 1 1 . 1 1 29 29 SER CA C 29 56.883 56.883 56.102 0.781 25706 155 1 1 . 1 1 29 29 SER CB C 29 65.067 65.067 64.637 0.430 25706 156 1 1 . 1 1 29 29 SER H H 29 8.885 8.885 8.668 0.217 25706 157 1 1 . 1 1 30 30 ILE N N 30 121.990 121.990 123.851 -1.861 25706 158 1 1 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.847 -0.283 25706 159 1 1 . 1 1 30 30 ILE C C 30 177.419 177.419 177.861 -0.442 25706 160 1 1 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.287 1.419 25706 161 1 1 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.193 -0.061 25706 162 1 1 . 1 1 30 30 ILE H H 30 8.953 8.953 8.797 0.156 25706 163 1 1 . 1 1 31 31 GLU N N 31 117.222 117.222 118.498 -1.276 25706 164 1 1 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.115 -0.252 25706 165 1 1 . 1 1 31 31 GLU C C 31 179.559 179.559 179.211 0.348 25706 166 1 1 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.572 0.942 25706 167 1 1 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.095 -0.049 25706 168 1 1 . 1 1 31 31 GLU H H 31 8.669 8.669 7.757 0.912 25706 169 1 1 . 1 1 32 32 GLN N N 32 118.595 118.595 119.280 -0.685 25706 170 1 1 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.144 -0.099 25706 171 1 1 . 1 1 32 32 GLN C C 32 179.113 179.113 178.118 0.995 25706 172 1 1 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.720 -0.219 25706 173 1 1 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.451 0.835 25706 174 1 1 . 1 1 32 32 GLN H H 32 7.949 7.949 8.405 -0.456 25706 175 1 1 . 1 1 33 33 ALA N N 33 123.062 123.062 121.818 1.244 25706 176 1 1 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.122 -0.209 25706 177 1 1 . 1 1 33 33 ALA C C 33 178.918 178.918 179.619 -0.701 25706 178 1 1 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.916 0.622 25706 179 1 1 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.392 0.754 25706 180 1 1 . 1 1 33 33 ALA H H 33 8.520 8.520 8.310 0.210 25706 181 1 1 . 1 1 34 34 VAL N N 34 115.551 115.551 117.769 -2.218 25706 182 1 1 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.814 -0.431 25706 183 1 1 . 1 1 34 34 VAL C C 34 179.013 179.013 177.989 1.024 25706 184 1 1 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.254 0.777 25706 185 1 1 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.661 -0.086 25706 186 1 1 . 1 1 34 34 VAL H H 34 8.469 8.469 7.453 1.016 25706 187 1 1 . 1 1 35 35 THR N N 35 114.806 114.806 115.211 -0.405 25706 188 1 1 . 1 1 35 35 THR HA H 35 4.012 4.012 4.155 -0.143 25706 189 1 1 . 1 1 35 35 THR C C 35 176.151 176.151 176.623 -0.472 25706 190 1 1 . 1 1 35 35 THR CA C 35 65.944 65.944 65.668 0.276 25706 191 1 1 . 1 1 35 35 THR CB C 35 68.902 68.902 68.853 0.049 25706 192 1 1 . 1 1 35 35 THR H H 35 7.598 7.598 7.630 -0.032 25706 193 1 1 . 1 1 36 36 LEU N N 36 120.922 120.922 120.739 0.183 25706 194 1 1 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.279 -0.096 25706 195 1 1 . 1 1 36 36 LEU C C 36 177.940 177.940 178.444 -0.504 25706 196 1 1 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.395 0.215 25706 197 1 1 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.936 0.341 25706 198 1 1 . 1 1 36 36 LEU H H 36 7.516 7.516 8.169 -0.653 25706 199 1 1 . 1 1 37 37 LEU N N 37 118.066 118.066 119.886 -1.820 25706 200 1 1 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.190 0.147 25706 201 1 1 . 1 1 37 37 LEU C C 37 177.013 177.013 176.994 0.019 25706 202 1 1 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.397 -1.520 25706 203 1 1 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.848 0.173 25706 204 1 1 . 1 1 37 37 LEU H H 37 7.444 7.444 7.451 -0.007 25706 205 1 1 . 1 1 38 38 THR N N 38 116.689 116.689 112.694 3.995 25706 206 1 1 . 1 1 38 38 THR HA H 38 4.469 4.469 4.129 0.340 25706 207 1 1 . 1 1 38 38 THR CA C 38 61.736 61.736 62.539 -0.803 25706 208 1 1 . 1 1 38 38 THR CB C 38 69.544 69.544 67.398 2.146 25706 209 1 1 . 1 1 38 38 THR H H 38 7.925 7.925 8.028 -0.103 25706 210 1 1 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.402 0.071 25706 211 1 1 . 1 1 39 39 PRO C C 39 177.055 177.055 176.819 0.236 25706 212 1 1 . 1 1 39 39 PRO CA C 39 63.505 63.505 63.087 0.418 25706 213 1 1 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.417 -0.277 25706 214 1 1 . 1 1 40 40 ARG N N 40 120.701 120.701 123.480 -2.779 25706 215 1 1 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.418 -0.111 25706 216 1 1 . 1 1 40 40 ARG C C 40 176.527 176.527 177.292 -0.765 25706 217 1 1 . 1 1 40 40 ARG CA C 40 56.307 56.307 55.732 0.575 25706 218 1 1 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.755 0.042 25706 219 1 1 . 1 1 40 40 ARG H H 40 8.384 8.384 8.646 -0.262 25706 220 1 1 . 1 1 41 41 ARG N N 41 121.467 121.467 121.470 -0.003 25706 221 1 1 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.139 0.242 25706 222 1 1 . 1 1 41 41 ARG C C 41 176.791 176.791 176.498 0.293 25706 223 1 1 . 1 1 41 41 ARG CA C 41 56.227 56.227 57.760 -1.532 25706 224 1 1 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.674 0.195 25706 225 1 1 . 1 1 41 41 ARG H H 41 8.367 8.367 8.748 -0.381 25706 226 1 1 . 1 1 42 42 GLY N N 42 110.418 110.418 102.342 8.076 25706 227 1 1 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.363 0.984 25706 228 1 1 . 1 1 42 42 GLY H H 42 8.538 8.538 7.501 1.037 25706 229 1 1 . 1 1 44 44 GLY C C 44 174.487 174.487 173.576 0.911 25706 230 1 1 . 1 1 45 45 SER N N 45 115.788 115.788 116.648 -0.860 25706 231 1 1 . 1 1 45 45 SER HA H 45 4.515 4.515 4.737 -0.222 25706 232 1 1 . 1 1 45 45 SER C C 45 175.337 175.337 175.062 0.275 25706 233 1 1 . 1 1 45 45 SER CA C 45 58.590 58.590 57.094 1.496 25706 234 1 1 . 1 1 45 45 SER CB C 45 63.920 63.920 63.895 0.025 25706 235 1 1 . 1 1 45 45 SER H H 45 8.422 8.422 8.652 -0.230 25706 236 1 1 . 1 1 46 46 GLY N N 46 111.003 111.003 110.747 0.256 25706 237 1 1 . 1 1 46 46 GLY C C 46 174.837 174.837 174.453 0.384 25706 238 1 1 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.786 0.711 25706 239 1 1 . 1 1 46 46 GLY H H 46 8.600 8.600 8.425 0.175 25706 240 1 1 . 1 1 47 47 GLY N N 47 108.933 108.933 110.502 -1.569 25706 241 1 1 . 1 1 47 47 GLY C C 47 174.864 174.864 175.252 -0.388 25706 242 1 1 . 1 1 47 47 GLY H H 47 8.398 8.398 8.454 -0.056 25706 243 1 1 . 1 1 48 48 GLY N N 48 108.905 108.905 110.233 -1.328 25706 244 1 1 . 1 1 48 48 GLY C C 48 174.496 174.496 175.869 -1.373 25706 245 1 1 . 1 1 48 48 GLY H H 48 8.418 8.418 8.590 -0.172 25706 246 1 1 . 1 1 49 49 SER N N 49 115.575 115.575 118.709 -3.134 25706 247 1 1 . 1 1 49 49 SER HA H 49 4.439 4.439 4.389 0.050 25706 248 1 1 . 1 1 49 49 SER C C 49 174.539 174.539 173.929 0.610 25706 249 1 1 . 1 1 49 49 SER CA C 49 58.826 58.826 57.291 1.536 25706 250 1 1 . 1 1 49 49 SER CB C 49 64.100 64.100 62.324 1.776 25706 251 1 1 . 1 1 49 49 SER H H 49 8.292 8.292 8.312 -0.020 25706 252 1 1 . 1 1 50 50 MET N N 50 121.907 121.907 124.019 -2.112 25706 253 1 1 . 1 1 50 50 MET HA H 50 4.445 4.445 4.420 0.025 25706 254 1 1 . 1 1 50 50 MET C C 50 175.456 175.456 174.741 0.715 25706 255 1 1 . 1 1 50 50 MET CA C 50 55.951 55.951 54.451 1.500 25706 256 1 1 . 1 1 50 50 MET CB C 50 33.967 33.967 32.572 1.395 25706 257 1 1 . 1 1 50 50 MET H H 50 8.310 8.310 7.535 0.775 25706 258 1 1 . 1 1 51 51 ASP N N 51 122.904 122.904 127.046 -4.142 25706 259 1 1 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.784 -0.143 25706 260 1 1 . 1 1 51 51 ASP C C 51 176.239 176.239 177.616 -1.377 25706 261 1 1 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.596 -0.084 25706 262 1 1 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.446 -0.933 25706 263 1 1 . 1 1 51 51 ASP H H 51 8.506 8.506 7.916 0.590 25706 264 1 1 . 1 1 52 52 ALA N N 52 123.354 123.354 125.453 -2.099 25706 265 1 1 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.943 -0.097 25706 266 1 1 . 1 1 52 52 ALA C C 52 178.517 178.517 179.298 -0.781 25706 267 1 1 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.466 0.132 25706 268 1 1 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.841 -0.224 25706 269 1 1 . 1 1 52 52 ALA H H 52 8.506 8.506 8.723 -0.217 25706 270 1 1 . 1 1 53 53 LYS N N 53 117.034 117.034 119.062 -2.028 25706 271 1 1 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.032 -0.434 25706 272 1 1 . 1 1 53 53 LYS C C 53 179.171 179.171 178.601 0.570 25706 273 1 1 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.255 1.147 25706 274 1 1 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.711 0.347 25706 275 1 1 . 1 1 53 53 LYS H H 53 8.407 8.407 8.508 -0.101 25706 276 1 1 . 1 1 54 54 GLU N N 54 123.212 123.212 119.427 3.785 25706 277 1 1 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.164 -0.091 25706 278 1 1 . 1 1 54 54 GLU C C 54 178.526 178.526 179.091 -0.565 25706 279 1 1 . 1 1 54 54 GLU CA C 54 59.744 59.744 58.977 0.767 25706 280 1 1 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.065 0.273 25706 281 1 1 . 1 1 54 54 GLU H H 54 8.005 8.005 7.707 0.298 25706 282 1 1 . 1 1 55 55 ILE N N 55 119.567 119.567 120.691 -1.124 25706 283 1 1 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.683 -0.254 25706 284 1 1 . 1 1 55 55 ILE C C 55 177.999 177.999 177.906 0.093 25706 285 1 1 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.973 -0.361 25706 286 1 1 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.936 0.775 25706 287 1 1 . 1 1 55 55 ILE H H 55 8.088 8.088 8.137 -0.049 25706 288 1 1 . 1 1 56 56 LEU N N 56 116.646 116.646 120.109 -3.463 25706 289 1 1 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.171 -0.167 25706 290 1 1 . 1 1 56 56 LEU C C 56 178.636 178.636 179.625 -0.989 25706 291 1 1 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.154 -0.090 25706 292 1 1 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.317 2.627 25706 293 1 1 . 1 1 56 56 LEU H H 56 8.477 8.477 8.631 -0.154 25706 294 1 1 . 1 1 57 57 THR N N 57 117.148 117.148 115.971 1.177 25706 295 1 1 . 1 1 57 57 THR HA H 57 3.833 3.833 3.972 -0.139 25706 296 1 1 . 1 1 57 57 THR C C 57 175.836 175.836 177.205 -1.369 25706 297 1 1 . 1 1 57 57 THR CA C 57 67.615 67.615 67.133 0.482 25706 298 1 1 . 1 1 57 57 THR CB C 57 68.860 68.860 68.492 0.368 25706 299 1 1 . 1 1 57 57 THR H H 57 8.260 8.260 8.346 -0.086 25706 300 1 1 . 1 1 58 58 ARG N N 58 120.818 120.818 121.138 -0.320 25706 301 1 1 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.127 0.121 25706 302 1 1 . 1 1 58 58 ARG C C 58 179.476 179.476 178.487 0.989 25706 303 1 1 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.324 -0.049 25706 304 1 1 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.191 0.357 25706 305 1 1 . 1 1 58 58 ARG H H 58 8.202 8.202 8.112 0.090 25706 306 1 1 . 1 1 59 59 PHE N N 59 119.668 119.668 121.932 -2.264 25706 307 1 1 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.470 0.278 25706 308 1 1 . 1 1 59 59 PHE C C 59 178.260 178.260 177.228 1.032 25706 309 1 1 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.473 -0.196 25706 310 1 1 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.244 -0.024 25706 311 1 1 . 1 1 59 59 PHE H H 59 8.615 8.615 8.623 -0.008 25706 312 1 1 . 1 1 60 60 LYS N N 60 123.687 123.687 118.891 4.796 25706 313 1 1 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.619 -0.132 25706 314 1 1 . 1 1 60 60 LYS C C 60 177.801 177.801 178.259 -0.458 25706 315 1 1 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.278 0.547 25706 316 1 1 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.401 0.015 25706 317 1 1 . 1 1 60 60 LYS H H 60 8.800 8.800 8.389 0.411 25706 318 1 1 . 1 1 61 61 ASP N N 61 116.083 116.083 117.519 -1.436 25706 319 1 1 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.448 0.145 25706 320 1 1 . 1 1 61 61 ASP C C 61 177.052 177.052 176.847 0.205 25706 321 1 1 . 1 1 61 61 ASP CA C 61 54.919 54.919 55.060 -0.141 25706 322 1 1 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.095 -0.089 25706 323 1 1 . 1 1 61 61 ASP H H 61 8.107 8.107 7.804 0.303 25706 324 1 1 . 1 1 62 62 GLY N N 62 107.294 107.294 105.894 1.400 25706 325 1 1 . 1 1 62 62 GLY C C 62 175.018 175.018 175.603 -0.585 25706 326 1 1 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.042 0.342 25706 327 1 1 . 1 1 62 62 GLY H H 62 7.625 7.625 7.371 0.254 25706 328 1 1 . 1 1 63 63 GLY N N 63 109.718 109.718 108.079 1.639 25706 329 1 1 . 1 1 63 63 GLY C C 63 173.393 173.393 174.145 -0.752 25706 330 1 1 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.850 0.887 25706 331 1 1 . 1 1 63 63 GLY H H 63 8.687 8.687 8.208 0.479 25706 332 1 1 . 1 1 64 64 LEU N N 64 119.332 119.332 120.781 -1.449 25706 333 1 1 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.710 0.008 25706 334 1 1 . 1 1 64 64 LEU C C 64 175.357 175.357 175.490 -0.133 25706 335 1 1 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.026 -0.089 25706 336 1 1 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.227 1.850 25706 337 1 1 . 1 1 64 64 LEU H H 64 7.034 7.034 7.272 -0.238 25706 338 1 1 . 1 1 65 65 ASP N N 65 121.569 121.569 126.052 -4.483 25706 339 1 1 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.773 0.020 25706 340 1 1 . 1 1 65 65 ASP C C 65 175.652 175.652 176.995 -1.343 25706 341 1 1 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.928 -2.051 25706 342 1 1 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.667 -0.849 25706 343 1 1 . 1 1 65 65 ASP H H 65 8.287 8.287 8.733 -0.446 25706 344 1 1 . 1 1 66 66 ARG N N 66 120.199 120.199 122.328 -2.129 25706 345 1 1 . 1 1 66 66 ARG HA H 66 3.755 3.755 4.044 -0.289 25706 346 1 1 . 1 1 66 66 ARG C C 66 177.271 177.271 178.150 -0.879 25706 347 1 1 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.841 0.723 25706 348 1 1 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.313 0.536 25706 349 1 1 . 1 1 66 66 ARG H H 66 8.860 8.860 8.901 -0.041 25706 350 1 1 . 1 1 67 67 ALA N N 67 120.212 120.212 121.371 -1.159 25706 351 1 1 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.159 -0.075 25706 352 1 1 . 1 1 67 67 ALA C C 67 181.015 181.015 179.475 1.540 25706 353 1 1 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.853 0.323 25706 354 1 1 . 1 1 67 67 ALA CB C 67 17.841 17.841 17.972 -0.131 25706 355 1 1 . 1 1 67 67 ALA H H 67 8.339 8.339 8.546 -0.207 25706 356 1 1 . 1 1 68 68 ALA N N 68 122.433 122.433 121.901 0.532 25706 357 1 1 . 1 1 68 68 ALA HA H 68 4.155 4.155 3.976 0.179 25706 358 1 1 . 1 1 68 68 ALA C C 68 180.071 180.071 179.341 0.730 25706 359 1 1 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.791 0.159 25706 360 1 1 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.282 0.965 25706 361 1 1 . 1 1 68 68 ALA H H 68 8.184 8.184 8.371 -0.187 25706 362 1 1 . 1 1 69 69 ALA N N 69 119.845 119.845 121.244 -1.399 25706 363 1 1 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.865 -0.033 25706 364 1 1 . 1 1 69 69 ALA C C 69 178.826 178.826 179.741 -0.915 25706 365 1 1 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.161 0.369 25706 366 1 1 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.874 0.103 25706 367 1 1 . 1 1 69 69 ALA H H 69 8.511 8.511 8.538 -0.027 25706 368 1 1 . 1 1 70 70 GLN N N 70 116.137 116.137 118.134 -1.997 25706 369 1 1 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.824 -0.224 25706 370 1 1 . 1 1 70 70 GLN C C 70 177.832 177.832 178.448 -0.616 25706 371 1 1 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.898 1.152 25706 372 1 1 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.623 -0.448 25706 373 1 1 . 1 1 70 70 GLN H H 70 8.528 8.528 8.007 0.521 25706 374 1 1 . 1 1 71 71 ALA N N 71 120.118 120.118 123.013 -2.895 25706 375 1 1 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.020 0.043 25706 376 1 1 . 1 1 71 71 ALA C C 71 180.495 180.495 179.493 1.002 25706 377 1 1 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.236 -0.058 25706 378 1 1 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.575 -0.679 25706 379 1 1 . 1 1 71 71 ALA H H 71 7.625 7.625 8.104 -0.479 25706 380 1 1 . 1 1 72 72 LEU N N 72 117.959 117.959 118.905 -0.946 25706 381 1 1 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.175 -0.002 25706 382 1 1 . 1 1 72 72 LEU C C 72 180.674 180.674 179.505 1.169 25706 383 1 1 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.290 0.264 25706 384 1 1 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.499 1.268 25706 385 1 1 . 1 1 72 72 LEU H H 72 8.068 8.068 8.177 -0.109 25706 386 1 1 . 1 1 73 73 LEU N N 73 119.237 119.237 118.501 0.736 25706 387 1 1 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.923 0.191 25706 388 1 1 . 1 1 73 73 LEU C C 73 177.691 177.691 178.677 -0.986 25706 389 1 1 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.464 -0.740 25706 390 1 1 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.602 0.987 25706 391 1 1 . 1 1 73 73 LEU H H 73 8.251 8.251 8.012 0.239 25706 392 1 1 . 1 1 74 74 ALA N N 74 120.421 120.421 117.998 2.423 25706 393 1 1 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.248 0.040 25706 394 1 1 . 1 1 74 74 ALA C C 74 178.222 178.222 177.837 0.385 25706 395 1 1 . 1 1 74 74 ALA CA C 74 52.861 52.861 53.188 -0.327 25706 396 1 1 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.449 -0.251 25706 397 1 1 . 1 1 74 74 ALA H H 74 7.765 7.765 7.895 -0.130 25706 398 1 1 . 1 1 75 75 GLY N N 75 106.485 106.485 104.858 1.627 25706 399 1 1 . 1 1 75 75 GLY C C 75 174.299 174.299 173.369 0.930 25706 400 1 1 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.004 0.783 25706 401 1 1 . 1 1 75 75 GLY H H 75 7.895 7.895 7.898 -0.003 25706 402 1 1 . 1 1 76 76 ARG N N 76 119.703 119.703 117.153 2.550 25706 403 1 1 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.841 -0.339 25706 404 1 1 . 1 1 76 76 ARG C C 76 175.750 175.750 174.136 1.614 25706 405 1 1 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.849 1.558 25706 406 1 1 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.180 -0.877 25706 407 1 1 . 1 1 76 76 ARG H H 76 8.110 8.110 8.296 -0.186 25706 408 1 1 . 1 1 77 77 THR N N 77 116.771 116.771 111.917 4.854 25706 409 1 1 . 1 1 77 77 THR HA H 77 4.582 4.582 4.549 0.033 25706 410 1 1 . 1 1 77 77 THR CA C 77 59.920 59.920 59.676 0.244 25706 411 1 1 . 1 1 77 77 THR CB C 77 69.810 69.810 68.790 1.020 25706 412 1 1 . 1 1 77 77 THR H H 77 8.181 8.181 8.259 -0.078 25706 413 1 1 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.334 0.034 25706 414 1 1 . 1 1 78 78 PRO C C 78 176.366 176.366 175.728 0.638 25706 415 1 1 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.564 0.590 25706 416 1 1 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.161 -0.053 25706 417 1 1 . 1 1 79 79 ALA N N 79 124.715 124.715 121.982 2.733 25706 418 1 1 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.684 -0.438 25706 419 1 1 . 1 1 79 79 ALA C C 79 177.314 177.314 175.889 1.425 25706 420 1 1 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.846 0.551 25706 421 1 1 . 1 1 79 79 ALA CB C 79 19.306 19.306 20.818 -1.512 25706 422 1 1 . 1 1 79 79 ALA H H 79 8.417 8.417 8.326 0.091 25706 423 1 1 . 1 1 80 80 ALA N N 80 123.467 123.467 123.383 0.084 25706 424 1 1 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.566 -0.276 25706 425 1 1 . 1 1 80 80 ALA C C 80 177.000 177.000 175.992 1.008 25706 426 1 1 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.755 0.255 25706 427 1 1 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.979 -0.532 25706 428 1 1 . 1 1 80 80 ALA H H 80 8.232 8.232 8.366 -0.134 25706 429 1 1 . 1 1 81 81 ALA N N 81 125.029 125.029 124.254 0.775 25706 430 1 1 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.540 0.022 25706 431 1 1 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.933 -0.502 25706 432 1 1 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.701 0.778 25706 433 1 1 . 1 1 81 81 ALA H H 81 8.250 8.250 8.385 -0.135 25706 434 1 1 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.531 -0.119 25706 435 1 1 . 1 1 82 82 PRO C C 82 176.531 176.531 176.328 0.203 25706 436 1 1 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.694 0.304 25706 437 1 1 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.457 1.626 25706 438 1 1 . 1 1 83 83 ARG N N 83 122.956 122.956 124.326 -1.370 25706 439 1 1 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.536 0.075 25706 440 1 1 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.999 -1.222 25706 441 1 1 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.710 0.532 25706 442 1 1 . 1 1 83 83 ARG H H 83 8.384 8.384 7.935 0.449 25706 443 1 2 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.613 -0.141 25706 444 1 2 . 1 1 2 2 PRO C C 2 177.459 177.459 178.079 -0.620 25706 445 1 2 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.888 0.686 25706 446 1 2 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.818 -0.672 25706 447 1 2 . 1 1 3 3 GLY N N 3 109.882 109.882 110.171 -0.289 25706 448 1 2 . 1 1 3 3 GLY C C 3 174.103 174.103 174.741 -0.638 25706 449 1 2 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.030 0.242 25706 450 1 2 . 1 1 3 3 GLY H H 3 8.645 8.645 8.596 0.049 25706 451 1 2 . 1 1 4 4 SER N N 4 115.534 115.534 118.215 -2.681 25706 452 1 2 . 1 1 4 4 SER HA H 4 4.438 4.438 4.505 -0.066 25706 453 1 2 . 1 1 4 4 SER C C 4 174.137 174.137 173.672 0.465 25706 454 1 2 . 1 1 4 4 SER CA C 4 58.319 58.319 57.989 0.330 25706 455 1 2 . 1 1 4 4 SER CB C 4 63.864 63.864 63.463 0.401 25706 456 1 2 . 1 1 4 4 SER H H 4 8.127 8.127 8.348 -0.221 25706 457 1 2 . 1 1 5 5 TYR N N 5 122.533 122.533 123.609 -1.076 25706 458 1 2 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.373 0.297 25706 459 1 2 . 1 1 5 5 TYR C C 5 176.109 176.109 176.435 -0.326 25706 460 1 2 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.414 -0.299 25706 461 1 2 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.330 -0.475 25706 462 1 2 . 1 1 5 5 TYR H H 5 8.349 8.349 7.613 0.736 25706 463 1 2 . 1 1 6 6 THR N N 6 116.290 116.290 116.912 -0.622 25706 464 1 2 . 1 1 6 6 THR HA H 6 4.305 4.305 4.172 0.133 25706 465 1 2 . 1 1 6 6 THR C C 6 174.899 174.899 174.813 0.086 25706 466 1 2 . 1 1 6 6 THR CA C 6 61.743 61.743 61.757 -0.014 25706 467 1 2 . 1 1 6 6 THR CB C 6 69.859 69.859 69.237 0.622 25706 468 1 2 . 1 1 6 6 THR H H 6 8.177 8.177 7.701 0.476 25706 469 1 2 . 1 1 7 7 GLY N N 7 110.576 110.576 109.061 1.515 25706 470 1 2 . 1 1 7 7 GLY C C 7 173.596 173.596 174.468 -0.872 25706 471 1 2 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.028 0.319 25706 472 1 2 . 1 1 7 7 GLY H H 7 7.646 7.646 7.254 0.392 25706 473 1 2 . 1 1 8 8 ALA N N 8 123.499 123.499 120.190 3.309 25706 474 1 2 . 1 1 8 8 ALA HA H 8 4.355 4.355 3.821 0.534 25706 475 1 2 . 1 1 8 8 ALA C C 8 178.119 178.119 177.332 0.787 25706 476 1 2 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.470 0.077 25706 477 1 2 . 1 1 8 8 ALA CB C 8 19.387 19.387 17.435 1.952 25706 478 1 2 . 1 1 8 8 ALA H H 8 8.171 8.171 7.323 0.848 25706 479 1 2 . 1 1 9 9 GLY N N 9 108.467 108.467 106.886 1.581 25706 480 1 2 . 1 1 9 9 GLY C C 9 173.664 173.664 173.214 0.450 25706 481 1 2 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.914 0.215 25706 482 1 2 . 1 1 9 9 GLY H H 9 8.398 8.398 7.574 0.824 25706 483 1 2 . 1 1 10 10 GLU N N 10 121.535 121.535 121.066 0.469 25706 484 1 2 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.628 -0.030 25706 485 1 2 . 1 1 10 10 GLU CA C 10 54.252 54.252 53.266 0.986 25706 486 1 2 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.243 -0.284 25706 487 1 2 . 1 1 10 10 GLU H H 10 8.230 8.230 8.199 0.031 25706 488 1 2 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.518 -0.064 25706 489 1 2 . 1 1 11 11 PRO C C 11 176.799 176.799 176.315 0.484 25706 490 1 2 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.994 0.308 25706 491 1 2 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.253 -0.229 25706 492 1 2 . 1 1 12 12 SER N N 12 117.122 117.122 115.733 1.389 25706 493 1 2 . 1 1 12 12 SER HA H 12 4.469 4.469 4.538 -0.069 25706 494 1 2 . 1 1 12 12 SER C C 12 174.904 174.904 176.204 -1.300 25706 495 1 2 . 1 1 12 12 SER CA C 12 57.876 57.876 56.946 0.930 25706 496 1 2 . 1 1 12 12 SER CB C 12 64.624 64.624 64.205 0.419 25706 497 1 2 . 1 1 12 12 SER H H 12 8.721 8.721 8.520 0.201 25706 498 1 2 . 1 1 13 13 GLN N N 13 121.678 121.678 126.923 -5.245 25706 499 1 2 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.047 0.073 25706 500 1 2 . 1 1 13 13 GLN C C 13 178.113 178.113 177.173 0.940 25706 501 1 2 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.594 -0.737 25706 502 1 2 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.293 0.449 25706 503 1 2 . 1 1 13 13 GLN H H 13 8.660 8.660 9.094 -0.434 25706 504 1 2 . 1 1 14 14 ALA N N 14 122.557 122.557 121.597 0.960 25706 505 1 2 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.140 0.068 25706 506 1 2 . 1 1 14 14 ALA C C 14 179.168 179.168 179.235 -0.067 25706 507 1 2 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.522 -0.459 25706 508 1 2 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.390 0.584 25706 509 1 2 . 1 1 14 14 ALA H H 14 8.251 8.251 7.723 0.528 25706 510 1 2 . 1 1 15 15 ASP N N 15 120.191 120.191 120.349 -0.158 25706 511 1 2 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.533 -0.038 25706 512 1 2 . 1 1 15 15 ASP C C 15 178.121 178.121 178.399 -0.278 25706 513 1 2 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.581 -1.078 25706 514 1 2 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.649 -0.064 25706 515 1 2 . 1 1 15 15 ASP H H 15 8.049 8.049 7.626 0.423 25706 516 1 2 . 1 1 16 16 LEU N N 16 122.661 122.661 121.018 1.643 25706 517 1 2 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.871 0.132 25706 518 1 2 . 1 1 16 16 LEU C C 16 178.320 178.320 178.618 -0.298 25706 519 1 2 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.206 -0.471 25706 520 1 2 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.902 0.015 25706 521 1 2 . 1 1 16 16 LEU H H 16 8.258 8.258 8.204 0.054 25706 522 1 2 . 1 1 17 17 ASP N N 17 119.364 119.364 118.006 1.358 25706 523 1 2 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.260 -0.017 25706 524 1 2 . 1 1 17 17 ASP C C 17 178.534 178.534 177.737 0.797 25706 525 1 2 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.293 0.801 25706 526 1 2 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.852 0.603 25706 527 1 2 . 1 1 17 17 ASP H H 17 8.299 8.299 8.249 0.050 25706 528 1 2 . 1 1 18 18 ALA N N 18 121.057 121.057 121.752 -0.695 25706 529 1 2 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.179 -0.054 25706 530 1 2 . 1 1 18 18 ALA C C 18 180.942 180.942 179.597 1.345 25706 531 1 2 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.739 0.208 25706 532 1 2 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.534 -0.317 25706 533 1 2 . 1 1 18 18 ALA H H 18 7.851 7.851 7.423 0.428 25706 534 1 2 . 1 1 19 19 LEU N N 19 122.159 122.159 120.236 1.923 25706 535 1 2 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.095 -0.120 25706 536 1 2 . 1 1 19 19 LEU C C 19 178.447 178.447 178.541 -0.094 25706 537 1 2 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.532 1.282 25706 538 1 2 . 1 1 19 19 LEU CB C 19 42.373 42.373 41.992 0.381 25706 539 1 2 . 1 1 19 19 LEU H H 19 7.941 7.941 7.590 0.351 25706 540 1 2 . 1 1 20 20 LEU N N 20 119.065 119.065 118.550 0.515 25706 541 1 2 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.917 -0.207 25706 542 1 2 . 1 1 20 20 LEU C C 20 179.763 179.763 179.138 0.625 25706 543 1 2 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.441 -0.044 25706 544 1 2 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.303 -1.437 25706 545 1 2 . 1 1 20 20 LEU H H 20 8.454 8.454 8.528 -0.074 25706 546 1 2 . 1 1 21 21 SER N N 21 115.603 115.603 113.845 1.758 25706 547 1 2 . 1 1 21 21 SER HA H 21 4.199 4.199 4.159 0.040 25706 548 1 2 . 1 1 21 21 SER C C 21 175.002 175.002 175.719 -0.717 25706 549 1 2 . 1 1 21 21 SER CA C 21 62.502 62.502 60.850 1.652 25706 550 1 2 . 1 1 21 21 SER CB C 21 62.806 62.806 63.112 -0.306 25706 551 1 2 . 1 1 21 21 SER H H 21 8.248 8.248 7.741 0.507 25706 552 1 2 . 1 1 22 22 ALA N N 22 123.437 123.437 123.376 0.061 25706 553 1 2 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.250 -0.184 25706 554 1 2 . 1 1 22 22 ALA C C 22 180.273 180.273 178.459 1.814 25706 555 1 2 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.571 0.916 25706 556 1 2 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.895 -0.664 25706 557 1 2 . 1 1 22 22 ALA H H 22 7.982 7.982 7.521 0.461 25706 558 1 2 . 1 1 23 23 VAL N N 23 119.580 119.580 120.090 -0.510 25706 559 1 2 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.246 -0.013 25706 560 1 2 . 1 1 23 23 VAL C C 23 180.144 180.144 178.175 1.969 25706 561 1 2 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.555 0.919 25706 562 1 2 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.486 0.724 25706 563 1 2 . 1 1 23 23 VAL H H 23 8.382 8.382 7.737 0.645 25706 564 1 2 . 1 1 24 24 ARG N N 24 122.585 122.585 120.033 2.552 25706 565 1 2 . 1 1 24 24 ARG HA H 24 3.921 3.921 3.922 -0.001 25706 566 1 2 . 1 1 24 24 ARG C C 24 177.169 177.169 177.154 0.015 25706 567 1 2 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.251 1.263 25706 568 1 2 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.931 -0.036 25706 569 1 2 . 1 1 24 24 ARG H H 24 8.589 8.589 8.243 0.346 25706 570 1 2 . 1 1 25 25 ASP N N 25 115.538 115.538 117.155 -1.617 25706 571 1 2 . 1 1 25 25 ASP C C 25 175.579 175.579 175.548 0.031 25706 572 1 2 . 1 1 25 25 ASP CA C 25 54.353 54.353 52.938 1.415 25706 573 1 2 . 1 1 25 25 ASP CB C 25 40.715 40.715 41.113 -0.398 25706 574 1 2 . 1 1 25 25 ASP H H 25 8.083 8.083 7.922 0.161 25706 575 1 2 . 1 1 26 26 ASN N N 26 113.668 113.668 115.959 -2.291 25706 576 1 2 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.327 0.165 25706 577 1 2 . 1 1 26 26 ASN C C 26 174.953 174.953 175.604 -0.651 25706 578 1 2 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.498 0.725 25706 579 1 2 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.814 -0.363 25706 580 1 2 . 1 1 26 26 ASN H H 26 7.860 7.860 7.850 0.010 25706 581 1 2 . 1 1 27 27 ARG N N 27 117.078 117.078 116.161 0.917 25706 582 1 2 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.288 0.015 25706 583 1 2 . 1 1 27 27 ARG C C 27 176.011 176.011 175.602 0.409 25706 584 1 2 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.792 0.790 25706 585 1 2 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.455 -0.081 25706 586 1 2 . 1 1 27 27 ARG H H 27 8.700 8.700 8.264 0.436 25706 587 1 2 . 1 1 28 28 LEU N N 28 119.538 119.538 120.730 -1.192 25706 588 1 2 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.553 0.073 25706 589 1 2 . 1 1 28 28 LEU C C 28 175.563 175.563 175.340 0.223 25706 590 1 2 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.380 0.023 25706 591 1 2 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.944 1.776 25706 592 1 2 . 1 1 28 28 LEU H H 28 7.101 7.101 7.551 -0.450 25706 593 1 2 . 1 1 29 29 SER N N 29 119.714 119.714 119.952 -0.238 25706 594 1 2 . 1 1 29 29 SER HA H 29 4.512 4.512 4.623 -0.111 25706 595 1 2 . 1 1 29 29 SER C C 29 174.769 174.769 175.947 -1.178 25706 596 1 2 . 1 1 29 29 SER CA C 29 56.883 56.883 57.391 -0.508 25706 597 1 2 . 1 1 29 29 SER CB C 29 65.067 65.067 64.904 0.163 25706 598 1 2 . 1 1 29 29 SER H H 29 8.885 8.885 8.594 0.291 25706 599 1 2 . 1 1 30 30 ILE N N 30 121.990 121.990 124.402 -2.412 25706 600 1 2 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.735 -0.171 25706 601 1 2 . 1 1 30 30 ILE C C 30 177.419 177.419 177.968 -0.549 25706 602 1 2 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.758 0.948 25706 603 1 2 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.350 -0.218 25706 604 1 2 . 1 1 30 30 ILE H H 30 8.953 8.953 8.827 0.126 25706 605 1 2 . 1 1 31 31 GLU N N 31 117.222 117.222 118.022 -0.800 25706 606 1 2 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.184 -0.321 25706 607 1 2 . 1 1 31 31 GLU C C 31 179.559 179.559 178.922 0.637 25706 608 1 2 . 1 1 31 31 GLU CA C 31 60.514 60.514 58.842 1.672 25706 609 1 2 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.109 -0.063 25706 610 1 2 . 1 1 31 31 GLU H H 31 8.669 8.669 8.631 0.038 25706 611 1 2 . 1 1 32 32 GLN N N 32 118.595 118.595 119.122 -0.527 25706 612 1 2 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.154 -0.109 25706 613 1 2 . 1 1 32 32 GLN C C 32 179.113 179.113 178.232 0.881 25706 614 1 2 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.249 0.252 25706 615 1 2 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.043 1.243 25706 616 1 2 . 1 1 32 32 GLN H H 32 7.949 7.949 8.376 -0.427 25706 617 1 2 . 1 1 33 33 ALA N N 33 123.062 123.062 122.512 0.550 25706 618 1 2 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.127 -0.214 25706 619 1 2 . 1 1 33 33 ALA C C 33 178.918 178.918 179.879 -0.961 25706 620 1 2 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.186 0.352 25706 621 1 2 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.249 0.897 25706 622 1 2 . 1 1 33 33 ALA H H 33 8.520 8.520 8.524 -0.004 25706 623 1 2 . 1 1 34 34 VAL N N 34 115.551 115.551 118.405 -2.854 25706 624 1 2 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.773 -0.390 25706 625 1 2 . 1 1 34 34 VAL C C 34 179.013 179.013 178.212 0.801 25706 626 1 2 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.565 0.466 25706 627 1 2 . 1 1 34 34 VAL CB C 34 31.575 31.575 30.947 0.628 25706 628 1 2 . 1 1 34 34 VAL H H 34 8.469 8.469 7.647 0.822 25706 629 1 2 . 1 1 35 35 THR N N 35 114.806 114.806 115.295 -0.489 25706 630 1 2 . 1 1 35 35 THR HA H 35 4.012 4.012 4.176 -0.164 25706 631 1 2 . 1 1 35 35 THR C C 35 176.151 176.151 176.187 -0.036 25706 632 1 2 . 1 1 35 35 THR CA C 35 65.944 65.944 65.430 0.514 25706 633 1 2 . 1 1 35 35 THR CB C 35 68.902 68.902 68.832 0.070 25706 634 1 2 . 1 1 35 35 THR H H 35 7.598 7.598 7.712 -0.114 25706 635 1 2 . 1 1 36 36 LEU N N 36 120.922 120.922 120.678 0.244 25706 636 1 2 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.298 -0.115 25706 637 1 2 . 1 1 36 36 LEU C C 36 177.940 177.940 178.641 -0.701 25706 638 1 2 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.097 0.513 25706 639 1 2 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.091 0.186 25706 640 1 2 . 1 1 36 36 LEU H H 36 7.516 7.516 8.069 -0.553 25706 641 1 2 . 1 1 37 37 LEU N N 37 118.066 118.066 120.274 -2.208 25706 642 1 2 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.178 0.159 25706 643 1 2 . 1 1 37 37 LEU C C 37 177.013 177.013 177.143 -0.130 25706 644 1 2 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.748 -1.871 25706 645 1 2 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.983 0.038 25706 646 1 2 . 1 1 37 37 LEU H H 37 7.444 7.444 7.732 -0.288 25706 647 1 2 . 1 1 38 38 THR N N 38 116.689 116.689 114.410 2.279 25706 648 1 2 . 1 1 38 38 THR HA H 38 4.469 4.469 4.035 0.434 25706 649 1 2 . 1 1 38 38 THR CA C 38 61.736 61.736 62.109 -0.373 25706 650 1 2 . 1 1 38 38 THR CB C 38 69.544 69.544 67.208 2.336 25706 651 1 2 . 1 1 38 38 THR H H 38 7.925 7.925 7.735 0.190 25706 652 1 2 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.421 0.052 25706 653 1 2 . 1 1 39 39 PRO C C 39 177.055 177.055 177.290 -0.235 25706 654 1 2 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.509 0.996 25706 655 1 2 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.127 0.013 25706 656 1 2 . 1 1 40 40 ARG N N 40 120.701 120.701 119.348 1.353 25706 657 1 2 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.131 0.176 25706 658 1 2 . 1 1 40 40 ARG C C 40 176.527 176.527 176.429 0.098 25706 659 1 2 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.041 0.266 25706 660 1 2 . 1 1 40 40 ARG CB C 40 30.797 30.797 29.628 1.169 25706 661 1 2 . 1 1 40 40 ARG H H 40 8.384 8.384 8.566 -0.182 25706 662 1 2 . 1 1 41 41 ARG N N 41 121.467 121.467 117.323 4.144 25706 663 1 2 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.053 0.328 25706 664 1 2 . 1 1 41 41 ARG C C 41 176.791 176.791 176.313 0.478 25706 665 1 2 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.098 0.129 25706 666 1 2 . 1 1 41 41 ARG CB C 41 30.869 30.869 27.235 3.634 25706 667 1 2 . 1 1 41 41 ARG H H 41 8.367 8.367 8.090 0.277 25706 668 1 2 . 1 1 42 42 GLY N N 42 110.418 110.418 105.673 4.745 25706 669 1 2 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.248 1.099 25706 670 1 2 . 1 1 42 42 GLY H H 42 8.538 8.538 7.588 0.950 25706 671 1 2 . 1 1 44 44 GLY C C 44 174.487 174.487 174.312 0.175 25706 672 1 2 . 1 1 45 45 SER N N 45 115.788 115.788 117.290 -1.502 25706 673 1 2 . 1 1 45 45 SER HA H 45 4.515 4.515 4.416 0.099 25706 674 1 2 . 1 1 45 45 SER C C 45 175.337 175.337 175.001 0.336 25706 675 1 2 . 1 1 45 45 SER CA C 45 58.590 58.590 58.949 -0.359 25706 676 1 2 . 1 1 45 45 SER CB C 45 63.920 63.920 63.987 -0.067 25706 677 1 2 . 1 1 45 45 SER H H 45 8.422 8.422 7.947 0.475 25706 678 1 2 . 1 1 46 46 GLY N N 46 111.003 111.003 107.894 3.109 25706 679 1 2 . 1 1 46 46 GLY C C 46 174.837 174.837 173.790 1.047 25706 680 1 2 . 1 1 46 46 GLY CA C 46 45.497 45.497 45.089 0.408 25706 681 1 2 . 1 1 46 46 GLY H H 46 8.600 8.600 7.719 0.881 25706 682 1 2 . 1 1 47 47 GLY N N 47 108.933 108.933 107.911 1.022 25706 683 1 2 . 1 1 47 47 GLY C C 47 174.864 174.864 175.415 -0.551 25706 684 1 2 . 1 1 47 47 GLY H H 47 8.398 8.398 8.209 0.189 25706 685 1 2 . 1 1 48 48 GLY N N 48 108.905 108.905 108.058 0.847 25706 686 1 2 . 1 1 48 48 GLY C C 48 174.496 174.496 174.845 -0.349 25706 687 1 2 . 1 1 48 48 GLY H H 48 8.418 8.418 8.341 0.077 25706 688 1 2 . 1 1 49 49 SER N N 49 115.575 115.575 117.846 -2.271 25706 689 1 2 . 1 1 49 49 SER HA H 49 4.439 4.439 4.397 0.042 25706 690 1 2 . 1 1 49 49 SER C C 49 174.539 174.539 174.384 0.155 25706 691 1 2 . 1 1 49 49 SER CA C 49 58.826 58.826 58.296 0.530 25706 692 1 2 . 1 1 49 49 SER CB C 49 64.100 64.100 63.699 0.401 25706 693 1 2 . 1 1 49 49 SER H H 49 8.292 8.292 8.330 -0.038 25706 694 1 2 . 1 1 50 50 MET N N 50 121.907 121.907 120.401 1.506 25706 695 1 2 . 1 1 50 50 MET HA H 50 4.445 4.445 4.152 0.293 25706 696 1 2 . 1 1 50 50 MET C C 50 175.456 175.456 175.318 0.138 25706 697 1 2 . 1 1 50 50 MET CA C 50 55.951 55.951 55.490 0.461 25706 698 1 2 . 1 1 50 50 MET CB C 50 33.967 33.967 30.212 3.755 25706 699 1 2 . 1 1 50 50 MET H H 50 8.310 8.310 8.579 -0.269 25706 700 1 2 . 1 1 51 51 ASP N N 51 122.904 122.904 119.892 3.012 25706 701 1 2 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.638 0.003 25706 702 1 2 . 1 1 51 51 ASP C C 51 176.239 176.239 176.553 -0.314 25706 703 1 2 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.720 -0.209 25706 704 1 2 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.211 -1.698 25706 705 1 2 . 1 1 51 51 ASP H H 51 8.506 8.506 7.890 0.616 25706 706 1 2 . 1 1 52 52 ALA N N 52 123.354 123.354 126.805 -3.451 25706 707 1 2 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.028 -0.182 25706 708 1 2 . 1 1 52 52 ALA C C 52 178.517 178.517 179.017 -0.500 25706 709 1 2 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.443 0.155 25706 710 1 2 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.542 0.075 25706 711 1 2 . 1 1 52 52 ALA H H 52 8.506 8.506 8.660 -0.154 25706 712 1 2 . 1 1 53 53 LYS N N 53 117.034 117.034 118.707 -1.673 25706 713 1 2 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.021 -0.423 25706 714 1 2 . 1 1 53 53 LYS C C 53 179.171 179.171 178.366 0.805 25706 715 1 2 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.290 1.112 25706 716 1 2 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.751 0.307 25706 717 1 2 . 1 1 53 53 LYS H H 53 8.407 8.407 8.511 -0.104 25706 718 1 2 . 1 1 54 54 GLU N N 54 123.212 123.212 119.231 3.981 25706 719 1 2 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.181 -0.108 25706 720 1 2 . 1 1 54 54 GLU C C 54 178.526 178.526 179.095 -0.569 25706 721 1 2 . 1 1 54 54 GLU CA C 54 59.744 59.744 58.865 0.879 25706 722 1 2 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.143 0.195 25706 723 1 2 . 1 1 54 54 GLU H H 54 8.005 8.005 7.711 0.294 25706 724 1 2 . 1 1 55 55 ILE N N 55 119.567 119.567 121.138 -1.571 25706 725 1 2 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.756 -0.327 25706 726 1 2 . 1 1 55 55 ILE C C 55 177.999 177.999 178.174 -0.175 25706 727 1 2 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.707 -0.095 25706 728 1 2 . 1 1 55 55 ILE CB C 55 38.711 38.711 38.029 0.682 25706 729 1 2 . 1 1 55 55 ILE H H 55 8.088 8.088 8.139 -0.051 25706 730 1 2 . 1 1 56 56 LEU N N 56 116.646 116.646 119.898 -3.252 25706 731 1 2 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.181 -0.177 25706 732 1 2 . 1 1 56 56 LEU C C 56 178.636 178.636 179.439 -0.803 25706 733 1 2 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.114 -0.049 25706 734 1 2 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.281 2.663 25706 735 1 2 . 1 1 56 56 LEU H H 56 8.477 8.477 8.647 -0.170 25706 736 1 2 . 1 1 57 57 THR N N 57 117.148 117.148 115.892 1.256 25706 737 1 2 . 1 1 57 57 THR HA H 57 3.833 3.833 3.995 -0.162 25706 738 1 2 . 1 1 57 57 THR C C 57 175.836 175.836 176.888 -1.052 25706 739 1 2 . 1 1 57 57 THR CA C 57 67.615 67.615 67.186 0.429 25706 740 1 2 . 1 1 57 57 THR CB C 57 68.860 68.860 68.480 0.380 25706 741 1 2 . 1 1 57 57 THR H H 57 8.260 8.260 7.760 0.500 25706 742 1 2 . 1 1 58 58 ARG N N 58 120.818 120.818 121.465 -0.647 25706 743 1 2 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.066 0.182 25706 744 1 2 . 1 1 58 58 ARG C C 58 179.476 179.476 178.204 1.272 25706 745 1 2 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.532 -0.257 25706 746 1 2 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.143 0.405 25706 747 1 2 . 1 1 58 58 ARG H H 58 8.202 8.202 7.850 0.352 25706 748 1 2 . 1 1 59 59 PHE N N 59 119.668 119.668 121.198 -1.530 25706 749 1 2 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.359 0.389 25706 750 1 2 . 1 1 59 59 PHE C C 59 178.260 178.260 177.495 0.765 25706 751 1 2 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.293 -0.016 25706 752 1 2 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.397 -0.177 25706 753 1 2 . 1 1 59 59 PHE H H 59 8.615 8.615 8.600 0.015 25706 754 1 2 . 1 1 60 60 LYS N N 60 123.687 123.687 119.450 4.237 25706 755 1 2 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.862 -0.375 25706 756 1 2 . 1 1 60 60 LYS C C 60 177.801 177.801 178.114 -0.313 25706 757 1 2 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.155 0.670 25706 758 1 2 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.282 0.133 25706 759 1 2 . 1 1 60 60 LYS H H 60 8.800 8.800 8.505 0.295 25706 760 1 2 . 1 1 61 61 ASP N N 61 116.083 116.083 117.219 -1.136 25706 761 1 2 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.522 0.071 25706 762 1 2 . 1 1 61 61 ASP C C 61 177.052 177.052 176.729 0.323 25706 763 1 2 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.511 0.408 25706 764 1 2 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.121 -0.115 25706 765 1 2 . 1 1 61 61 ASP H H 61 8.107 8.107 7.828 0.279 25706 766 1 2 . 1 1 62 62 GLY N N 62 107.294 107.294 105.975 1.319 25706 767 1 2 . 1 1 62 62 GLY C C 62 175.018 175.018 175.817 -0.799 25706 768 1 2 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.275 0.110 25706 769 1 2 . 1 1 62 62 GLY H H 62 7.625 7.625 7.285 0.340 25706 770 1 2 . 1 1 63 63 GLY N N 63 109.718 109.718 108.043 1.675 25706 771 1 2 . 1 1 63 63 GLY C C 63 173.393 173.393 174.474 -1.081 25706 772 1 2 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.962 0.775 25706 773 1 2 . 1 1 63 63 GLY H H 63 8.687 8.687 8.026 0.661 25706 774 1 2 . 1 1 64 64 LEU N N 64 119.332 119.332 121.238 -1.906 25706 775 1 2 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.740 -0.022 25706 776 1 2 . 1 1 64 64 LEU C C 64 175.357 175.357 175.073 0.284 25706 777 1 2 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.855 0.082 25706 778 1 2 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.316 1.761 25706 779 1 2 . 1 1 64 64 LEU H H 64 7.034 7.034 7.361 -0.327 25706 780 1 2 . 1 1 65 65 ASP N N 65 121.569 121.569 125.721 -4.152 25706 781 1 2 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.944 -0.151 25706 782 1 2 . 1 1 65 65 ASP C C 65 175.652 175.652 177.222 -1.570 25706 783 1 2 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.497 -1.620 25706 784 1 2 . 1 1 65 65 ASP CB C 65 41.818 41.818 43.484 -1.666 25706 785 1 2 . 1 1 65 65 ASP H H 65 8.287 8.287 8.734 -0.447 25706 786 1 2 . 1 1 66 66 ARG N N 66 120.199 120.199 122.013 -1.814 25706 787 1 2 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.954 -0.199 25706 788 1 2 . 1 1 66 66 ARG C C 66 177.271 177.271 178.210 -0.939 25706 789 1 2 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.739 0.825 25706 790 1 2 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.373 0.476 25706 791 1 2 . 1 1 66 66 ARG H H 66 8.860 8.860 8.967 -0.107 25706 792 1 2 . 1 1 67 67 ALA N N 67 120.212 120.212 120.134 0.078 25706 793 1 2 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.168 -0.084 25706 794 1 2 . 1 1 67 67 ALA C C 67 181.015 181.015 179.614 1.401 25706 795 1 2 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.888 0.288 25706 796 1 2 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.099 -0.258 25706 797 1 2 . 1 1 67 67 ALA H H 67 8.339 8.339 8.490 -0.151 25706 798 1 2 . 1 1 68 68 ALA N N 68 122.433 122.433 121.041 1.392 25706 799 1 2 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.138 0.017 25706 800 1 2 . 1 1 68 68 ALA C C 68 180.071 180.071 179.417 0.654 25706 801 1 2 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.445 0.505 25706 802 1 2 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.258 0.989 25706 803 1 2 . 1 1 68 68 ALA H H 68 8.184 8.184 7.608 0.576 25706 804 1 2 . 1 1 69 69 ALA N N 69 119.845 119.845 121.987 -2.142 25706 805 1 2 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.767 0.065 25706 806 1 2 . 1 1 69 69 ALA C C 69 178.826 178.826 179.303 -0.477 25706 807 1 2 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.049 0.481 25706 808 1 2 . 1 1 69 69 ALA CB C 69 17.977 17.977 18.046 -0.069 25706 809 1 2 . 1 1 69 69 ALA H H 69 8.511 8.511 8.484 0.027 25706 810 1 2 . 1 1 70 70 GLN N N 70 116.137 116.137 118.268 -2.131 25706 811 1 2 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.829 -0.229 25706 812 1 2 . 1 1 70 70 GLN C C 70 177.832 177.832 178.495 -0.663 25706 813 1 2 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.805 1.245 25706 814 1 2 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.597 -0.422 25706 815 1 2 . 1 1 70 70 GLN H H 70 8.528 8.528 8.340 0.188 25706 816 1 2 . 1 1 71 71 ALA N N 71 120.118 120.118 123.140 -3.022 25706 817 1 2 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.988 0.075 25706 818 1 2 . 1 1 71 71 ALA C C 71 180.495 180.495 179.586 0.909 25706 819 1 2 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.226 -0.048 25706 820 1 2 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.509 -0.613 25706 821 1 2 . 1 1 71 71 ALA H H 71 7.625 7.625 7.698 -0.073 25706 822 1 2 . 1 1 72 72 LEU N N 72 117.959 117.959 119.283 -1.324 25706 823 1 2 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.134 0.039 25706 824 1 2 . 1 1 72 72 LEU C C 72 180.674 180.674 179.563 1.111 25706 825 1 2 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.464 0.090 25706 826 1 2 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.415 1.352 25706 827 1 2 . 1 1 72 72 LEU H H 72 8.068 8.068 8.197 -0.129 25706 828 1 2 . 1 1 73 73 LEU N N 73 119.237 119.237 117.303 1.934 25706 829 1 2 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.971 0.143 25706 830 1 2 . 1 1 73 73 LEU C C 73 177.691 177.691 178.568 -0.877 25706 831 1 2 . 1 1 73 73 LEU CA C 73 56.724 56.724 56.996 -0.272 25706 832 1 2 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.722 0.867 25706 833 1 2 . 1 1 73 73 LEU H H 73 8.251 8.251 8.074 0.177 25706 834 1 2 . 1 1 74 74 ALA N N 74 120.421 120.421 117.484 2.937 25706 835 1 2 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.268 0.020 25706 836 1 2 . 1 1 74 74 ALA C C 74 178.222 178.222 177.947 0.275 25706 837 1 2 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.179 0.682 25706 838 1 2 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.233 -0.035 25706 839 1 2 . 1 1 74 74 ALA H H 74 7.765 7.765 7.600 0.165 25706 840 1 2 . 1 1 75 75 GLY N N 75 106.485 106.485 105.859 0.626 25706 841 1 2 . 1 1 75 75 GLY C C 75 174.299 174.299 174.569 -0.270 25706 842 1 2 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.385 0.403 25706 843 1 2 . 1 1 75 75 GLY H H 75 7.895 7.895 7.508 0.387 25706 844 1 2 . 1 1 76 76 ARG N N 76 119.703 119.703 119.386 0.317 25706 845 1 2 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.749 -0.247 25706 846 1 2 . 1 1 76 76 ARG C C 76 175.750 175.750 175.523 0.227 25706 847 1 2 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.888 1.520 25706 848 1 2 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.063 -0.760 25706 849 1 2 . 1 1 76 76 ARG H H 76 8.110 8.110 8.307 -0.197 25706 850 1 2 . 1 1 77 77 THR N N 77 116.771 116.771 114.363 2.408 25706 851 1 2 . 1 1 77 77 THR HA H 77 4.582 4.582 4.474 0.108 25706 852 1 2 . 1 1 77 77 THR CA C 77 59.920 59.920 59.840 0.080 25706 853 1 2 . 1 1 77 77 THR CB C 77 69.810 69.810 68.310 1.500 25706 854 1 2 . 1 1 77 77 THR H H 77 8.181 8.181 8.149 0.032 25706 855 1 2 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.322 0.046 25706 856 1 2 . 1 1 78 78 PRO C C 78 176.366 176.366 177.595 -1.229 25706 857 1 2 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.832 0.322 25706 858 1 2 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.134 -0.026 25706 859 1 2 . 1 1 79 79 ALA N N 79 124.715 124.715 124.384 0.331 25706 860 1 2 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.251 -0.005 25706 861 1 2 . 1 1 79 79 ALA C C 79 177.314 177.314 177.104 0.210 25706 862 1 2 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.480 0.918 25706 863 1 2 . 1 1 79 79 ALA CB C 79 19.306 19.306 17.416 1.890 25706 864 1 2 . 1 1 79 79 ALA H H 79 8.417 8.417 8.387 0.030 25706 865 1 2 . 1 1 80 80 ALA N N 80 123.467 123.467 121.713 1.754 25706 866 1 2 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.342 -0.052 25706 867 1 2 . 1 1 80 80 ALA C C 80 177.000 177.000 176.710 0.290 25706 868 1 2 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.848 -0.838 25706 869 1 2 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.747 -0.300 25706 870 1 2 . 1 1 80 80 ALA H H 80 8.232 8.232 7.529 0.703 25706 871 1 2 . 1 1 81 81 ALA N N 81 125.029 125.029 124.943 0.086 25706 872 1 2 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.707 -0.145 25706 873 1 2 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.072 -0.641 25706 874 1 2 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.745 -0.265 25706 875 1 2 . 1 1 81 81 ALA H H 81 8.250 8.250 8.239 0.011 25706 876 1 2 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.562 -0.150 25706 877 1 2 . 1 1 82 82 PRO C C 82 176.531 176.531 175.627 0.904 25706 878 1 2 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.117 -0.119 25706 879 1 2 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.464 1.619 25706 880 1 2 . 1 1 83 83 ARG N N 83 122.956 122.956 122.630 0.326 25706 881 1 2 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.631 -0.020 25706 882 1 2 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.553 0.225 25706 883 1 2 . 1 1 83 83 ARG CB C 83 30.242 30.242 32.256 -2.014 25706 884 1 2 . 1 1 83 83 ARG H H 83 8.384 8.384 7.763 0.621 25706 885 1 3 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.522 -0.050 25706 886 1 3 . 1 1 2 2 PRO C C 2 177.459 177.459 177.322 0.137 25706 887 1 3 . 1 1 2 2 PRO CA C 2 63.574 63.574 63.981 -0.407 25706 888 1 3 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.523 -0.377 25706 889 1 3 . 1 1 3 3 GLY N N 3 109.882 109.882 108.692 1.190 25706 890 1 3 . 1 1 3 3 GLY C C 3 174.103 174.103 173.517 0.586 25706 891 1 3 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.115 0.157 25706 892 1 3 . 1 1 3 3 GLY H H 3 8.645 8.645 8.529 0.116 25706 893 1 3 . 1 1 4 4 SER N N 4 115.534 115.534 115.412 0.122 25706 894 1 3 . 1 1 4 4 SER HA H 4 4.438 4.438 4.620 -0.182 25706 895 1 3 . 1 1 4 4 SER C C 4 174.137 174.137 172.986 1.151 25706 896 1 3 . 1 1 4 4 SER CA C 4 58.319 58.319 57.639 0.680 25706 897 1 3 . 1 1 4 4 SER CB C 4 63.864 63.864 64.804 -0.940 25706 898 1 3 . 1 1 4 4 SER H H 4 8.127 8.127 7.814 0.313 25706 899 1 3 . 1 1 5 5 TYR N N 5 122.533 122.533 122.335 0.198 25706 900 1 3 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.810 -0.140 25706 901 1 3 . 1 1 5 5 TYR C C 5 176.109 176.109 175.489 0.620 25706 902 1 3 . 1 1 5 5 TYR CA C 5 58.115 58.115 59.085 -0.970 25706 903 1 3 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.069 -0.214 25706 904 1 3 . 1 1 5 5 TYR H H 5 8.349 8.349 8.503 -0.154 25706 905 1 3 . 1 1 6 6 THR N N 6 116.290 116.290 118.571 -2.281 25706 906 1 3 . 1 1 6 6 THR HA H 6 4.305 4.305 4.321 -0.016 25706 907 1 3 . 1 1 6 6 THR C C 6 174.899 174.899 173.266 1.633 25706 908 1 3 . 1 1 6 6 THR CA C 6 61.743 61.743 60.834 0.909 25706 909 1 3 . 1 1 6 6 THR CB C 6 69.859 69.859 69.458 0.401 25706 910 1 3 . 1 1 6 6 THR H H 6 8.177 8.177 7.391 0.786 25706 911 1 3 . 1 1 7 7 GLY N N 7 110.576 110.576 109.235 1.341 25706 912 1 3 . 1 1 7 7 GLY C C 7 173.596 173.596 173.342 0.254 25706 913 1 3 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.832 0.515 25706 914 1 3 . 1 1 7 7 GLY H H 7 7.646 7.646 8.275 -0.629 25706 915 1 3 . 1 1 8 8 ALA N N 8 123.499 123.499 122.904 0.595 25706 916 1 3 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.420 -0.065 25706 917 1 3 . 1 1 8 8 ALA C C 8 178.119 178.119 178.120 -0.001 25706 918 1 3 . 1 1 8 8 ALA CA C 8 52.547 52.547 51.847 0.700 25706 919 1 3 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.610 -0.223 25706 920 1 3 . 1 1 8 8 ALA H H 8 8.171 8.171 8.211 -0.040 25706 921 1 3 . 1 1 9 9 GLY N N 9 108.467 108.467 108.179 0.288 25706 922 1 3 . 1 1 9 9 GLY C C 9 173.664 173.664 173.765 -0.101 25706 923 1 3 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.558 0.571 25706 924 1 3 . 1 1 9 9 GLY H H 9 8.398 8.398 8.291 0.107 25706 925 1 3 . 1 1 10 10 GLU N N 10 121.535 121.535 120.923 0.612 25706 926 1 3 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.421 0.177 25706 927 1 3 . 1 1 10 10 GLU CA C 10 54.252 54.252 55.231 -0.979 25706 928 1 3 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.986 -0.027 25706 929 1 3 . 1 1 10 10 GLU H H 10 8.230 8.230 8.408 -0.178 25706 930 1 3 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.415 0.039 25706 931 1 3 . 1 1 11 11 PRO C C 11 176.799 176.799 176.017 0.782 25706 932 1 3 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.770 0.532 25706 933 1 3 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.704 -0.680 25706 934 1 3 . 1 1 12 12 SER N N 12 117.122 117.122 116.141 0.981 25706 935 1 3 . 1 1 12 12 SER HA H 12 4.469 4.469 4.523 -0.054 25706 936 1 3 . 1 1 12 12 SER C C 12 174.904 174.904 176.462 -1.558 25706 937 1 3 . 1 1 12 12 SER CA C 12 57.876 57.876 56.851 1.025 25706 938 1 3 . 1 1 12 12 SER CB C 12 64.624 64.624 64.515 0.109 25706 939 1 3 . 1 1 12 12 SER H H 12 8.721 8.721 8.608 0.113 25706 940 1 3 . 1 1 13 13 GLN N N 13 121.678 121.678 125.626 -3.948 25706 941 1 3 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.061 0.059 25706 942 1 3 . 1 1 13 13 GLN C C 13 178.113 178.113 177.037 1.076 25706 943 1 3 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.561 -0.704 25706 944 1 3 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.283 0.459 25706 945 1 3 . 1 1 13 13 GLN H H 13 8.660 8.660 9.023 -0.363 25706 946 1 3 . 1 1 14 14 ALA N N 14 122.557 122.557 121.877 0.680 25706 947 1 3 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.152 0.056 25706 948 1 3 . 1 1 14 14 ALA C C 14 179.168 179.168 178.976 0.192 25706 949 1 3 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.769 -0.706 25706 950 1 3 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.437 0.537 25706 951 1 3 . 1 1 14 14 ALA H H 14 8.251 8.251 7.789 0.462 25706 952 1 3 . 1 1 15 15 ASP N N 15 120.191 120.191 120.505 -0.314 25706 953 1 3 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.418 0.077 25706 954 1 3 . 1 1 15 15 ASP C C 15 178.121 178.121 178.526 -0.405 25706 955 1 3 . 1 1 15 15 ASP CA C 15 55.503 55.503 57.152 -1.649 25706 956 1 3 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.397 0.188 25706 957 1 3 . 1 1 15 15 ASP H H 15 8.049 8.049 7.554 0.495 25706 958 1 3 . 1 1 16 16 LEU N N 16 122.661 122.661 120.521 2.140 25706 959 1 3 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.906 0.097 25706 960 1 3 . 1 1 16 16 LEU C C 16 178.320 178.320 178.510 -0.190 25706 961 1 3 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.009 -0.274 25706 962 1 3 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.866 0.051 25706 963 1 3 . 1 1 16 16 LEU H H 16 8.258 8.258 7.958 0.300 25706 964 1 3 . 1 1 17 17 ASP N N 17 119.364 119.364 119.053 0.311 25706 965 1 3 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.197 0.046 25706 966 1 3 . 1 1 17 17 ASP C C 17 178.534 178.534 177.896 0.638 25706 967 1 3 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.654 0.440 25706 968 1 3 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.825 0.630 25706 969 1 3 . 1 1 17 17 ASP H H 17 8.299 8.299 8.284 0.015 25706 970 1 3 . 1 1 18 18 ALA N N 18 121.057 121.057 121.764 -0.707 25706 971 1 3 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.151 -0.026 25706 972 1 3 . 1 1 18 18 ALA C C 18 180.942 180.942 179.738 1.204 25706 973 1 3 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.991 -0.044 25706 974 1 3 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.497 -0.280 25706 975 1 3 . 1 1 18 18 ALA H H 18 7.851 7.851 7.605 0.246 25706 976 1 3 . 1 1 19 19 LEU N N 19 122.159 122.159 120.009 2.150 25706 977 1 3 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.046 -0.071 25706 978 1 3 . 1 1 19 19 LEU C C 19 178.447 178.447 178.739 -0.292 25706 979 1 3 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.818 0.996 25706 980 1 3 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.202 0.171 25706 981 1 3 . 1 1 19 19 LEU H H 19 7.941 7.941 7.593 0.348 25706 982 1 3 . 1 1 20 20 LEU N N 20 119.065 119.065 118.644 0.421 25706 983 1 3 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.940 -0.230 25706 984 1 3 . 1 1 20 20 LEU C C 20 179.763 179.763 179.119 0.644 25706 985 1 3 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.334 0.063 25706 986 1 3 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.455 -1.589 25706 987 1 3 . 1 1 20 20 LEU H H 20 8.454 8.454 8.655 -0.201 25706 988 1 3 . 1 1 21 21 SER N N 21 115.603 115.603 113.856 1.747 25706 989 1 3 . 1 1 21 21 SER HA H 21 4.199 4.199 4.187 0.012 25706 990 1 3 . 1 1 21 21 SER C C 21 175.002 175.002 175.747 -0.745 25706 991 1 3 . 1 1 21 21 SER CA C 21 62.502 62.502 61.742 0.760 25706 992 1 3 . 1 1 21 21 SER CB C 21 62.806 62.806 62.827 -0.021 25706 993 1 3 . 1 1 21 21 SER H H 21 8.248 8.248 8.273 -0.025 25706 994 1 3 . 1 1 22 22 ALA N N 22 123.437 123.437 122.787 0.650 25706 995 1 3 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.239 -0.173 25706 996 1 3 . 1 1 22 22 ALA C C 22 180.273 180.273 178.304 1.969 25706 997 1 3 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.677 0.810 25706 998 1 3 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.643 -0.412 25706 999 1 3 . 1 1 22 22 ALA H H 22 7.982 7.982 7.555 0.427 25706 1000 1 3 . 1 1 23 23 VAL N N 23 119.580 119.580 119.718 -0.138 25706 1001 1 3 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.252 -0.019 25706 1002 1 3 . 1 1 23 23 VAL C C 23 180.144 180.144 178.181 1.963 25706 1003 1 3 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.525 0.949 25706 1004 1 3 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.436 0.775 25706 1005 1 3 . 1 1 23 23 VAL H H 23 8.382 8.382 7.456 0.926 25706 1006 1 3 . 1 1 24 24 ARG N N 24 122.585 122.585 121.218 1.367 25706 1007 1 3 . 1 1 24 24 ARG HA H 24 3.921 3.921 3.945 -0.024 25706 1008 1 3 . 1 1 24 24 ARG C C 24 177.169 177.169 177.147 0.022 25706 1009 1 3 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.066 1.448 25706 1010 1 3 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.934 -0.039 25706 1011 1 3 . 1 1 24 24 ARG H H 24 8.589 8.589 8.464 0.125 25706 1012 1 3 . 1 1 25 25 ASP N N 25 115.538 115.538 116.426 -0.888 25706 1013 1 3 . 1 1 25 25 ASP C C 25 175.579 175.579 175.408 0.171 25706 1014 1 3 . 1 1 25 25 ASP CA C 25 54.353 54.353 52.870 1.483 25706 1015 1 3 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.856 -0.141 25706 1016 1 3 . 1 1 25 25 ASP H H 25 8.083 8.083 7.735 0.348 25706 1017 1 3 . 1 1 26 26 ASN N N 26 113.668 113.668 114.451 -0.783 25706 1018 1 3 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.403 0.089 25706 1019 1 3 . 1 1 26 26 ASN C C 26 174.953 174.953 175.293 -0.340 25706 1020 1 3 . 1 1 26 26 ASN CA C 26 55.223 55.223 55.121 0.102 25706 1021 1 3 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.702 0.749 25706 1022 1 3 . 1 1 26 26 ASN H H 26 7.860 7.860 8.050 -0.190 25706 1023 1 3 . 1 1 27 27 ARG N N 27 117.078 117.078 116.976 0.102 25706 1024 1 3 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.458 -0.155 25706 1025 1 3 . 1 1 27 27 ARG C C 27 176.011 176.011 175.665 0.346 25706 1026 1 3 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.512 1.070 25706 1027 1 3 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.440 -0.066 25706 1028 1 3 . 1 1 27 27 ARG H H 27 8.700 8.700 8.201 0.499 25706 1029 1 3 . 1 1 28 28 LEU N N 28 119.538 119.538 121.457 -1.919 25706 1030 1 3 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.745 -0.119 25706 1031 1 3 . 1 1 28 28 LEU C C 28 175.563 175.563 175.364 0.199 25706 1032 1 3 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.177 0.226 25706 1033 1 3 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.648 1.072 25706 1034 1 3 . 1 1 28 28 LEU H H 28 7.101 7.101 7.676 -0.575 25706 1035 1 3 . 1 1 29 29 SER N N 29 119.714 119.714 120.142 -0.428 25706 1036 1 3 . 1 1 29 29 SER HA H 29 4.512 4.512 4.650 -0.138 25706 1037 1 3 . 1 1 29 29 SER C C 29 174.769 174.769 175.940 -1.171 25706 1038 1 3 . 1 1 29 29 SER CA C 29 56.883 56.883 57.621 -0.738 25706 1039 1 3 . 1 1 29 29 SER CB C 29 65.067 65.067 64.934 0.133 25706 1040 1 3 . 1 1 29 29 SER H H 29 8.885 8.885 8.462 0.423 25706 1041 1 3 . 1 1 30 30 ILE N N 30 121.990 121.990 124.751 -2.761 25706 1042 1 3 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.699 -0.135 25706 1043 1 3 . 1 1 30 30 ILE C C 30 177.419 177.419 178.120 -0.701 25706 1044 1 3 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.860 0.846 25706 1045 1 3 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.275 -0.143 25706 1046 1 3 . 1 1 30 30 ILE H H 30 8.953 8.953 8.845 0.108 25706 1047 1 3 . 1 1 31 31 GLU N N 31 117.222 117.222 118.564 -1.342 25706 1048 1 3 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.104 -0.241 25706 1049 1 3 . 1 1 31 31 GLU C C 31 179.559 179.559 179.043 0.516 25706 1050 1 3 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.324 1.190 25706 1051 1 3 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.062 -0.016 25706 1052 1 3 . 1 1 31 31 GLU H H 31 8.669 8.669 8.695 -0.026 25706 1053 1 3 . 1 1 32 32 GLN N N 32 118.595 118.595 118.803 -0.208 25706 1054 1 3 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.168 -0.123 25706 1055 1 3 . 1 1 32 32 GLN C C 32 179.113 179.113 178.252 0.861 25706 1056 1 3 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.370 0.131 25706 1057 1 3 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.166 1.120 25706 1058 1 3 . 1 1 32 32 GLN H H 32 7.949 7.949 8.320 -0.371 25706 1059 1 3 . 1 1 33 33 ALA N N 33 123.062 123.062 122.165 0.897 25706 1060 1 3 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.120 -0.207 25706 1061 1 3 . 1 1 33 33 ALA C C 33 178.918 178.918 180.053 -1.135 25706 1062 1 3 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.004 0.534 25706 1063 1 3 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.332 0.814 25706 1064 1 3 . 1 1 33 33 ALA H H 33 8.520 8.520 8.409 0.111 25706 1065 1 3 . 1 1 34 34 VAL N N 34 115.551 115.551 118.449 -2.898 25706 1066 1 3 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.711 -0.328 25706 1067 1 3 . 1 1 34 34 VAL C C 34 179.013 179.013 177.878 1.135 25706 1068 1 3 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.793 0.238 25706 1069 1 3 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.615 -0.040 25706 1070 1 3 . 1 1 34 34 VAL H H 34 8.469 8.469 7.932 0.537 25706 1071 1 3 . 1 1 35 35 THR N N 35 114.806 114.806 116.056 -1.250 25706 1072 1 3 . 1 1 35 35 THR HA H 35 4.012 4.012 4.445 -0.433 25706 1073 1 3 . 1 1 35 35 THR C C 35 176.151 176.151 176.798 -0.647 25706 1074 1 3 . 1 1 35 35 THR CA C 35 65.944 65.944 65.846 0.098 25706 1075 1 3 . 1 1 35 35 THR CB C 35 68.902 68.902 68.788 0.114 25706 1076 1 3 . 1 1 35 35 THR H H 35 7.598 7.598 8.100 -0.502 25706 1077 1 3 . 1 1 36 36 LEU N N 36 120.922 120.922 120.720 0.202 25706 1078 1 3 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.189 -0.006 25706 1079 1 3 . 1 1 36 36 LEU C C 36 177.940 177.940 177.726 0.214 25706 1080 1 3 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.905 -0.295 25706 1081 1 3 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.935 0.341 25706 1082 1 3 . 1 1 36 36 LEU H H 36 7.516 7.516 8.226 -0.710 25706 1083 1 3 . 1 1 37 37 LEU N N 37 118.066 118.066 120.473 -2.407 25706 1084 1 3 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.336 0.001 25706 1085 1 3 . 1 1 37 37 LEU C C 37 177.013 177.013 177.167 -0.154 25706 1086 1 3 . 1 1 37 37 LEU CA C 37 54.877 54.877 57.234 -2.357 25706 1087 1 3 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.593 -0.572 25706 1088 1 3 . 1 1 37 37 LEU H H 37 7.444 7.444 7.411 0.033 25706 1089 1 3 . 1 1 38 38 THR N N 38 116.689 116.689 113.535 3.154 25706 1090 1 3 . 1 1 38 38 THR HA H 38 4.469 4.469 4.744 -0.275 25706 1091 1 3 . 1 1 38 38 THR CA C 38 61.736 61.736 60.140 1.596 25706 1092 1 3 . 1 1 38 38 THR CB C 38 69.544 69.544 70.766 -1.222 25706 1093 1 3 . 1 1 38 38 THR H H 38 7.925 7.925 8.474 -0.549 25706 1094 1 3 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.707 -0.234 25706 1095 1 3 . 1 1 39 39 PRO C C 39 177.055 177.055 176.518 0.537 25706 1096 1 3 . 1 1 39 39 PRO CA C 39 63.505 63.505 63.325 0.180 25706 1097 1 3 . 1 1 39 39 PRO CB C 39 32.140 32.140 31.971 0.169 25706 1098 1 3 . 1 1 40 40 ARG N N 40 120.701 120.701 123.590 -2.889 25706 1099 1 3 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.479 -0.172 25706 1100 1 3 . 1 1 40 40 ARG C C 40 176.527 176.527 177.280 -0.753 25706 1101 1 3 . 1 1 40 40 ARG CA C 40 56.307 56.307 55.826 0.481 25706 1102 1 3 . 1 1 40 40 ARG CB C 40 30.797 30.797 32.389 -1.592 25706 1103 1 3 . 1 1 40 40 ARG H H 40 8.384 8.384 8.590 -0.206 25706 1104 1 3 . 1 1 41 41 ARG N N 41 121.467 121.467 116.970 4.497 25706 1105 1 3 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.030 0.351 25706 1106 1 3 . 1 1 41 41 ARG C C 41 176.791 176.791 177.493 -0.702 25706 1107 1 3 . 1 1 41 41 ARG CA C 41 56.227 56.227 58.337 -2.110 25706 1108 1 3 . 1 1 41 41 ARG CB C 41 30.869 30.869 28.242 2.627 25706 1109 1 3 . 1 1 41 41 ARG H H 41 8.367 8.367 8.631 -0.264 25706 1110 1 3 . 1 1 42 42 GLY N N 42 110.418 110.418 108.209 2.209 25706 1111 1 3 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.725 0.622 25706 1112 1 3 . 1 1 42 42 GLY H H 42 8.538 8.538 8.247 0.291 25706 1113 1 3 . 1 1 44 44 GLY C C 44 174.487 174.487 175.387 -0.900 25706 1114 1 3 . 1 1 45 45 SER N N 45 115.788 115.788 116.935 -1.147 25706 1115 1 3 . 1 1 45 45 SER HA H 45 4.515 4.515 4.691 -0.176 25706 1116 1 3 . 1 1 45 45 SER C C 45 175.337 175.337 176.024 -0.687 25706 1117 1 3 . 1 1 45 45 SER CA C 45 58.590 58.590 58.356 0.234 25706 1118 1 3 . 1 1 45 45 SER CB C 45 63.920 63.920 64.383 -0.463 25706 1119 1 3 . 1 1 45 45 SER H H 45 8.422 8.422 8.664 -0.242 25706 1120 1 3 . 1 1 46 46 GLY N N 46 111.003 111.003 110.322 0.681 25706 1121 1 3 . 1 1 46 46 GLY C C 46 174.837 174.837 174.101 0.736 25706 1122 1 3 . 1 1 46 46 GLY CA C 46 45.497 45.497 45.044 0.453 25706 1123 1 3 . 1 1 46 46 GLY H H 46 8.600 8.600 8.401 0.199 25706 1124 1 3 . 1 1 47 47 GLY N N 47 108.933 108.933 107.082 1.851 25706 1125 1 3 . 1 1 47 47 GLY C C 47 174.864 174.864 173.203 1.661 25706 1126 1 3 . 1 1 47 47 GLY H H 47 8.398 8.398 7.358 1.040 25706 1127 1 3 . 1 1 48 48 GLY N N 48 108.905 108.905 106.248 2.657 25706 1128 1 3 . 1 1 48 48 GLY C C 48 174.496 174.496 174.939 -0.443 25706 1129 1 3 . 1 1 48 48 GLY H H 48 8.418 8.418 8.418 0.000 25706 1130 1 3 . 1 1 49 49 SER N N 49 115.575 115.575 114.611 0.964 25706 1131 1 3 . 1 1 49 49 SER HA H 49 4.439 4.439 4.571 -0.132 25706 1132 1 3 . 1 1 49 49 SER C C 49 174.539 174.539 175.006 -0.467 25706 1133 1 3 . 1 1 49 49 SER CA C 49 58.826 58.826 56.939 1.887 25706 1134 1 3 . 1 1 49 49 SER CB C 49 64.100 64.100 64.203 -0.103 25706 1135 1 3 . 1 1 49 49 SER H H 49 8.292 8.292 7.658 0.634 25706 1136 1 3 . 1 1 50 50 MET N N 50 121.907 121.907 120.739 1.168 25706 1137 1 3 . 1 1 50 50 MET HA H 50 4.445 4.445 4.336 0.109 25706 1138 1 3 . 1 1 50 50 MET C C 50 175.456 175.456 175.489 -0.033 25706 1139 1 3 . 1 1 50 50 MET CA C 50 55.951 55.951 55.543 0.408 25706 1140 1 3 . 1 1 50 50 MET CB C 50 33.967 33.967 30.323 3.644 25706 1141 1 3 . 1 1 50 50 MET H H 50 8.310 8.310 8.501 -0.191 25706 1142 1 3 . 1 1 51 51 ASP N N 51 122.904 122.904 124.340 -1.436 25706 1143 1 3 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.794 -0.153 25706 1144 1 3 . 1 1 51 51 ASP C C 51 176.239 176.239 176.523 -0.284 25706 1145 1 3 . 1 1 51 51 ASP CA C 51 53.511 53.511 52.877 0.634 25706 1146 1 3 . 1 1 51 51 ASP CB C 51 41.513 41.513 44.631 -3.118 25706 1147 1 3 . 1 1 51 51 ASP H H 51 8.506 8.506 7.983 0.523 25706 1148 1 3 . 1 1 52 52 ALA N N 52 123.354 123.354 126.765 -3.411 25706 1149 1 3 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.872 -0.026 25706 1150 1 3 . 1 1 52 52 ALA C C 52 178.517 178.517 178.877 -0.360 25706 1151 1 3 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.545 0.053 25706 1152 1 3 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.836 -0.219 25706 1153 1 3 . 1 1 52 52 ALA H H 52 8.506 8.506 8.782 -0.276 25706 1154 1 3 . 1 1 53 53 LYS N N 53 117.034 117.034 118.924 -1.890 25706 1155 1 3 . 1 1 53 53 LYS HA H 53 3.598 3.598 3.987 -0.389 25706 1156 1 3 . 1 1 53 53 LYS C C 53 179.171 179.171 178.551 0.620 25706 1157 1 3 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.450 0.952 25706 1158 1 3 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.999 0.059 25706 1159 1 3 . 1 1 53 53 LYS H H 53 8.407 8.407 8.494 -0.087 25706 1160 1 3 . 1 1 54 54 GLU N N 54 123.212 123.212 119.660 3.552 25706 1161 1 3 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.135 -0.062 25706 1162 1 3 . 1 1 54 54 GLU C C 54 178.526 178.526 179.041 -0.515 25706 1163 1 3 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.296 0.448 25706 1164 1 3 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.501 -0.163 25706 1165 1 3 . 1 1 54 54 GLU H H 54 8.005 8.005 7.704 0.301 25706 1166 1 3 . 1 1 55 55 ILE N N 55 119.567 119.567 120.988 -1.421 25706 1167 1 3 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.705 -0.276 25706 1168 1 3 . 1 1 55 55 ILE C C 55 177.999 177.999 178.127 -0.128 25706 1169 1 3 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.919 -0.307 25706 1170 1 3 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.963 0.748 25706 1171 1 3 . 1 1 55 55 ILE H H 55 8.088 8.088 8.430 -0.342 25706 1172 1 3 . 1 1 56 56 LEU N N 56 116.646 116.646 119.971 -3.325 25706 1173 1 3 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.201 -0.197 25706 1174 1 3 . 1 1 56 56 LEU C C 56 178.636 178.636 179.567 -0.931 25706 1175 1 3 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.088 -0.024 25706 1176 1 3 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.304 2.640 25706 1177 1 3 . 1 1 56 56 LEU H H 56 8.477 8.477 8.614 -0.137 25706 1178 1 3 . 1 1 57 57 THR N N 57 117.148 117.148 116.078 1.070 25706 1179 1 3 . 1 1 57 57 THR HA H 57 3.833 3.833 3.987 -0.154 25706 1180 1 3 . 1 1 57 57 THR C C 57 175.836 175.836 177.237 -1.401 25706 1181 1 3 . 1 1 57 57 THR CA C 57 67.615 67.615 66.980 0.635 25706 1182 1 3 . 1 1 57 57 THR CB C 57 68.860 68.860 68.480 0.380 25706 1183 1 3 . 1 1 57 57 THR H H 57 8.260 8.260 8.201 0.059 25706 1184 1 3 . 1 1 58 58 ARG N N 58 120.818 120.818 121.262 -0.444 25706 1185 1 3 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.057 0.191 25706 1186 1 3 . 1 1 58 58 ARG C C 58 179.476 179.476 178.362 1.114 25706 1187 1 3 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.592 -0.317 25706 1188 1 3 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.144 0.404 25706 1189 1 3 . 1 1 58 58 ARG H H 58 8.202 8.202 8.388 -0.186 25706 1190 1 3 . 1 1 59 59 PHE N N 59 119.668 119.668 121.107 -1.439 25706 1191 1 3 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.381 0.367 25706 1192 1 3 . 1 1 59 59 PHE C C 59 178.260 178.260 177.323 0.937 25706 1193 1 3 . 1 1 59 59 PHE CA C 59 60.277 60.277 59.937 0.340 25706 1194 1 3 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.353 -0.133 25706 1195 1 3 . 1 1 59 59 PHE H H 59 8.615 8.615 8.572 0.043 25706 1196 1 3 . 1 1 60 60 LYS N N 60 123.687 123.687 119.399 4.288 25706 1197 1 3 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.800 -0.313 25706 1198 1 3 . 1 1 60 60 LYS C C 60 177.801 177.801 178.091 -0.290 25706 1199 1 3 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.163 0.662 25706 1200 1 3 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.243 0.173 25706 1201 1 3 . 1 1 60 60 LYS H H 60 8.800 8.800 8.583 0.217 25706 1202 1 3 . 1 1 61 61 ASP N N 61 116.083 116.083 117.333 -1.250 25706 1203 1 3 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.525 0.068 25706 1204 1 3 . 1 1 61 61 ASP C C 61 177.052 177.052 176.693 0.359 25706 1205 1 3 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.541 0.378 25706 1206 1 3 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.144 -0.138 25706 1207 1 3 . 1 1 61 61 ASP H H 61 8.107 8.107 7.772 0.335 25706 1208 1 3 . 1 1 62 62 GLY N N 62 107.294 107.294 105.920 1.374 25706 1209 1 3 . 1 1 62 62 GLY C C 62 175.018 175.018 175.800 -0.782 25706 1210 1 3 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.220 0.165 25706 1211 1 3 . 1 1 62 62 GLY H H 62 7.625 7.625 7.251 0.374 25706 1212 1 3 . 1 1 63 63 GLY N N 63 109.718 109.718 108.531 1.187 25706 1213 1 3 . 1 1 63 63 GLY C C 63 173.393 173.393 174.466 -1.073 25706 1214 1 3 . 1 1 63 63 GLY CA C 63 45.737 45.737 45.000 0.737 25706 1215 1 3 . 1 1 63 63 GLY H H 63 8.687 8.687 8.132 0.555 25706 1216 1 3 . 1 1 64 64 LEU N N 64 119.332 119.332 121.012 -1.680 25706 1217 1 3 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.799 -0.081 25706 1218 1 3 . 1 1 64 64 LEU C C 64 175.357 175.357 174.981 0.376 25706 1219 1 3 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.760 0.177 25706 1220 1 3 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.842 1.235 25706 1221 1 3 . 1 1 64 64 LEU H H 64 7.034 7.034 7.316 -0.282 25706 1222 1 3 . 1 1 65 65 ASP N N 65 121.569 121.569 124.414 -2.845 25706 1223 1 3 . 1 1 65 65 ASP HA H 65 4.793 4.793 5.038 -0.245 25706 1224 1 3 . 1 1 65 65 ASP C C 65 175.652 175.652 177.391 -1.739 25706 1225 1 3 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.361 -1.484 25706 1226 1 3 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.854 -1.036 25706 1227 1 3 . 1 1 65 65 ASP H H 65 8.287 8.287 8.735 -0.448 25706 1228 1 3 . 1 1 66 66 ARG N N 66 120.199 120.199 121.860 -1.661 25706 1229 1 3 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.827 -0.072 25706 1230 1 3 . 1 1 66 66 ARG C C 66 177.271 177.271 178.225 -0.954 25706 1231 1 3 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.448 1.116 25706 1232 1 3 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.377 0.472 25706 1233 1 3 . 1 1 66 66 ARG H H 66 8.860 8.860 8.969 -0.109 25706 1234 1 3 . 1 1 67 67 ALA N N 67 120.212 120.212 121.360 -1.148 25706 1235 1 3 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.396 -0.312 25706 1236 1 3 . 1 1 67 67 ALA C C 67 181.015 181.015 179.754 1.261 25706 1237 1 3 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.893 0.283 25706 1238 1 3 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.099 -0.258 25706 1239 1 3 . 1 1 67 67 ALA H H 67 8.339 8.339 8.573 -0.234 25706 1240 1 3 . 1 1 68 68 ALA N N 68 122.433 122.433 121.571 0.862 25706 1241 1 3 . 1 1 68 68 ALA HA H 68 4.155 4.155 3.976 0.179 25706 1242 1 3 . 1 1 68 68 ALA C C 68 180.071 180.071 179.249 0.822 25706 1243 1 3 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.696 0.254 25706 1244 1 3 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.293 0.954 25706 1245 1 3 . 1 1 68 68 ALA H H 68 8.184 8.184 8.342 -0.158 25706 1246 1 3 . 1 1 69 69 ALA N N 69 119.845 119.845 121.898 -2.053 25706 1247 1 3 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.729 0.103 25706 1248 1 3 . 1 1 69 69 ALA C C 69 178.826 178.826 179.319 -0.493 25706 1249 1 3 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.021 0.509 25706 1250 1 3 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.968 0.009 25706 1251 1 3 . 1 1 69 69 ALA H H 69 8.511 8.511 8.422 0.089 25706 1252 1 3 . 1 1 70 70 GLN N N 70 116.137 116.137 118.335 -2.198 25706 1253 1 3 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.796 -0.196 25706 1254 1 3 . 1 1 70 70 GLN C C 70 177.832 177.832 178.467 -0.635 25706 1255 1 3 . 1 1 70 70 GLN CA C 70 60.050 60.050 59.015 1.035 25706 1256 1 3 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.532 -0.357 25706 1257 1 3 . 1 1 70 70 GLN H H 70 8.528 8.528 8.304 0.224 25706 1258 1 3 . 1 1 71 71 ALA N N 71 120.118 120.118 122.977 -2.859 25706 1259 1 3 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.975 0.088 25706 1260 1 3 . 1 1 71 71 ALA C C 71 180.495 180.495 179.501 0.994 25706 1261 1 3 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.255 -0.076 25706 1262 1 3 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.523 -0.627 25706 1263 1 3 . 1 1 71 71 ALA H H 71 7.625 7.625 7.868 -0.243 25706 1264 1 3 . 1 1 72 72 LEU N N 72 117.959 117.959 119.271 -1.312 25706 1265 1 3 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.162 0.011 25706 1266 1 3 . 1 1 72 72 LEU C C 72 180.674 180.674 180.059 0.615 25706 1267 1 3 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.503 0.051 25706 1268 1 3 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.472 1.295 25706 1269 1 3 . 1 1 72 72 LEU H H 72 8.068 8.068 8.174 -0.106 25706 1270 1 3 . 1 1 73 73 LEU N N 73 119.237 119.237 120.568 -1.331 25706 1271 1 3 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.030 0.084 25706 1272 1 3 . 1 1 73 73 LEU C C 73 177.691 177.691 178.043 -0.352 25706 1273 1 3 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.358 -0.634 25706 1274 1 3 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.676 0.913 25706 1275 1 3 . 1 1 73 73 LEU H H 73 8.251 8.251 8.288 -0.037 25706 1276 1 3 . 1 1 74 74 ALA N N 74 120.421 120.421 118.956 1.465 25706 1277 1 3 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.408 -0.120 25706 1278 1 3 . 1 1 74 74 ALA C C 74 178.222 178.222 177.589 0.633 25706 1279 1 3 . 1 1 74 74 ALA CA C 74 52.861 52.861 51.689 1.172 25706 1280 1 3 . 1 1 74 74 ALA CB C 74 19.198 19.198 18.687 0.511 25706 1281 1 3 . 1 1 74 74 ALA H H 74 7.765 7.765 8.152 -0.387 25706 1282 1 3 . 1 1 75 75 GLY N N 75 106.485 106.485 105.274 1.211 25706 1283 1 3 . 1 1 75 75 GLY C C 75 174.299 174.299 174.188 0.111 25706 1284 1 3 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.654 0.133 25706 1285 1 3 . 1 1 75 75 GLY H H 75 7.895 7.895 7.583 0.312 25706 1286 1 3 . 1 1 76 76 ARG N N 76 119.703 119.703 118.905 0.798 25706 1287 1 3 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.748 -0.246 25706 1288 1 3 . 1 1 76 76 ARG C C 76 175.750 175.750 175.183 0.567 25706 1289 1 3 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.776 1.631 25706 1290 1 3 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.846 -1.543 25706 1291 1 3 . 1 1 76 76 ARG H H 76 8.110 8.110 8.312 -0.202 25706 1292 1 3 . 1 1 77 77 THR N N 77 116.771 116.771 114.901 1.870 25706 1293 1 3 . 1 1 77 77 THR HA H 77 4.582 4.582 4.540 0.042 25706 1294 1 3 . 1 1 77 77 THR CA C 77 59.920 59.920 59.800 0.120 25706 1295 1 3 . 1 1 77 77 THR CB C 77 69.810 69.810 68.470 1.340 25706 1296 1 3 . 1 1 77 77 THR H H 77 8.181 8.181 8.177 0.004 25706 1297 1 3 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.406 -0.038 25706 1298 1 3 . 1 1 78 78 PRO C C 78 176.366 176.366 177.277 -0.911 25706 1299 1 3 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.575 0.579 25706 1300 1 3 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.124 -0.016 25706 1301 1 3 . 1 1 79 79 ALA N N 79 124.715 124.715 122.745 1.970 25706 1302 1 3 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.153 0.093 25706 1303 1 3 . 1 1 79 79 ALA C C 79 177.314 177.314 176.897 0.417 25706 1304 1 3 . 1 1 79 79 ALA CA C 79 52.398 52.398 52.092 0.306 25706 1305 1 3 . 1 1 79 79 ALA CB C 79 19.306 19.306 18.364 0.942 25706 1306 1 3 . 1 1 79 79 ALA H H 79 8.417 8.417 8.116 0.301 25706 1307 1 3 . 1 1 80 80 ALA N N 80 123.467 123.467 120.270 3.197 25706 1308 1 3 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.109 0.181 25706 1309 1 3 . 1 1 80 80 ALA C C 80 177.000 177.000 176.266 0.734 25706 1310 1 3 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.182 -0.172 25706 1311 1 3 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.292 0.155 25706 1312 1 3 . 1 1 80 80 ALA H H 80 8.232 8.232 7.634 0.598 25706 1313 1 3 . 1 1 81 81 ALA N N 81 125.029 125.029 123.782 1.247 25706 1314 1 3 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.553 0.010 25706 1315 1 3 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.242 -0.811 25706 1316 1 3 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.537 -0.057 25706 1317 1 3 . 1 1 81 81 ALA H H 81 8.250 8.250 8.254 -0.004 25706 1318 1 3 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.473 -0.061 25706 1319 1 3 . 1 1 82 82 PRO C C 82 176.531 176.531 176.069 0.462 25706 1320 1 3 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.340 -0.342 25706 1321 1 3 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.799 0.284 25706 1322 1 3 . 1 1 83 83 ARG N N 83 122.956 122.956 117.786 5.170 25706 1323 1 3 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.793 -0.182 25706 1324 1 3 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.144 -0.366 25706 1325 1 3 . 1 1 83 83 ARG CB C 83 30.242 30.242 30.224 0.018 25706 1326 1 3 . 1 1 83 83 ARG H H 83 8.384 8.384 7.792 0.592 25706 1327 1 4 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.456 0.016 25706 1328 1 4 . 1 1 2 2 PRO C C 2 177.459 177.459 177.537 -0.078 25706 1329 1 4 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.941 0.633 25706 1330 1 4 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.343 -0.197 25706 1331 1 4 . 1 1 3 3 GLY N N 3 109.882 109.882 109.702 0.180 25706 1332 1 4 . 1 1 3 3 GLY C C 3 174.103 174.103 174.744 -0.641 25706 1333 1 4 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.510 0.762 25706 1334 1 4 . 1 1 3 3 GLY H H 3 8.645 8.645 7.956 0.689 25706 1335 1 4 . 1 1 4 4 SER N N 4 115.534 115.534 114.260 1.274 25706 1336 1 4 . 1 1 4 4 SER HA H 4 4.438 4.438 4.366 0.072 25706 1337 1 4 . 1 1 4 4 SER C C 4 174.137 174.137 174.261 -0.124 25706 1338 1 4 . 1 1 4 4 SER CA C 4 58.319 58.319 58.941 -0.622 25706 1339 1 4 . 1 1 4 4 SER CB C 4 63.864 63.864 63.694 0.170 25706 1340 1 4 . 1 1 4 4 SER H H 4 8.127 8.127 8.554 -0.427 25706 1341 1 4 . 1 1 5 5 TYR N N 5 122.533 122.533 121.647 0.886 25706 1342 1 4 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.809 -0.139 25706 1343 1 4 . 1 1 5 5 TYR C C 5 176.109 176.109 174.873 1.236 25706 1344 1 4 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.975 0.140 25706 1345 1 4 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.963 -2.108 25706 1346 1 4 . 1 1 5 5 TYR H H 5 8.349 8.349 7.608 0.741 25706 1347 1 4 . 1 1 6 6 THR N N 6 116.290 116.290 115.449 0.841 25706 1348 1 4 . 1 1 6 6 THR HA H 6 4.305 4.305 4.328 -0.023 25706 1349 1 4 . 1 1 6 6 THR C C 6 174.899 174.899 175.084 -0.185 25706 1350 1 4 . 1 1 6 6 THR CA C 6 61.743 61.743 61.302 0.441 25706 1351 1 4 . 1 1 6 6 THR CB C 6 69.859 69.859 69.724 0.135 25706 1352 1 4 . 1 1 6 6 THR H H 6 8.177 8.177 8.269 -0.092 25706 1353 1 4 . 1 1 7 7 GLY N N 7 110.576 110.576 109.333 1.243 25706 1354 1 4 . 1 1 7 7 GLY C C 7 173.596 173.596 173.169 0.427 25706 1355 1 4 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.951 0.396 25706 1356 1 4 . 1 1 7 7 GLY H H 7 7.646 7.646 6.774 0.872 25706 1357 1 4 . 1 1 8 8 ALA N N 8 123.499 123.499 121.413 2.086 25706 1358 1 4 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.726 -0.371 25706 1359 1 4 . 1 1 8 8 ALA C C 8 178.119 178.119 176.024 2.095 25706 1360 1 4 . 1 1 8 8 ALA CA C 8 52.547 52.547 51.137 1.410 25706 1361 1 4 . 1 1 8 8 ALA CB C 8 19.387 19.387 20.793 -1.405 25706 1362 1 4 . 1 1 8 8 ALA H H 8 8.171 8.171 7.207 0.964 25706 1363 1 4 . 1 1 9 9 GLY N N 9 108.467 108.467 107.669 0.798 25706 1364 1 4 . 1 1 9 9 GLY C C 9 173.664 173.664 173.675 -0.011 25706 1365 1 4 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.452 0.678 25706 1366 1 4 . 1 1 9 9 GLY H H 9 8.398 8.398 8.166 0.232 25706 1367 1 4 . 1 1 10 10 GLU N N 10 121.535 121.535 119.323 2.212 25706 1368 1 4 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.750 -0.152 25706 1369 1 4 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.085 0.167 25706 1370 1 4 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.363 -0.404 25706 1371 1 4 . 1 1 10 10 GLU H H 10 8.230 8.230 8.280 -0.050 25706 1372 1 4 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.538 -0.084 25706 1373 1 4 . 1 1 11 11 PRO C C 11 176.799 176.799 176.074 0.725 25706 1374 1 4 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.890 0.412 25706 1375 1 4 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.812 -0.788 25706 1376 1 4 . 1 1 12 12 SER N N 12 117.122 117.122 116.224 0.898 25706 1377 1 4 . 1 1 12 12 SER HA H 12 4.469 4.469 4.457 0.012 25706 1378 1 4 . 1 1 12 12 SER C C 12 174.904 174.904 176.370 -1.466 25706 1379 1 4 . 1 1 12 12 SER CA C 12 57.876 57.876 57.225 0.651 25706 1380 1 4 . 1 1 12 12 SER CB C 12 64.624 64.624 64.285 0.339 25706 1381 1 4 . 1 1 12 12 SER H H 12 8.721 8.721 8.441 0.280 25706 1382 1 4 . 1 1 13 13 GLN N N 13 121.678 121.678 126.303 -4.625 25706 1383 1 4 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.065 0.055 25706 1384 1 4 . 1 1 13 13 GLN C C 13 178.113 178.113 177.105 1.008 25706 1385 1 4 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.577 -0.720 25706 1386 1 4 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.316 0.426 25706 1387 1 4 . 1 1 13 13 GLN H H 13 8.660 8.660 9.010 -0.350 25706 1388 1 4 . 1 1 14 14 ALA N N 14 122.557 122.557 121.849 0.708 25706 1389 1 4 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.128 0.080 25706 1390 1 4 . 1 1 14 14 ALA C C 14 179.168 179.168 179.139 0.029 25706 1391 1 4 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.758 -0.695 25706 1392 1 4 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.387 0.587 25706 1393 1 4 . 1 1 14 14 ALA H H 14 8.251 8.251 7.783 0.468 25706 1394 1 4 . 1 1 15 15 ASP N N 15 120.191 120.191 120.222 -0.031 25706 1395 1 4 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.497 -0.002 25706 1396 1 4 . 1 1 15 15 ASP C C 15 178.121 178.121 178.499 -0.378 25706 1397 1 4 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.778 -1.275 25706 1398 1 4 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.566 0.019 25706 1399 1 4 . 1 1 15 15 ASP H H 15 8.049 8.049 7.643 0.406 25706 1400 1 4 . 1 1 16 16 LEU N N 16 122.661 122.661 120.795 1.866 25706 1401 1 4 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.918 0.085 25706 1402 1 4 . 1 1 16 16 LEU C C 16 178.320 178.320 178.525 -0.205 25706 1403 1 4 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.049 -0.314 25706 1404 1 4 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.925 -0.008 25706 1405 1 4 . 1 1 16 16 LEU H H 16 8.258 8.258 8.106 0.152 25706 1406 1 4 . 1 1 17 17 ASP N N 17 119.364 119.364 118.853 0.511 25706 1407 1 4 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.235 0.008 25706 1408 1 4 . 1 1 17 17 ASP C C 17 178.534 178.534 177.849 0.685 25706 1409 1 4 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.632 0.462 25706 1410 1 4 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.851 0.604 25706 1411 1 4 . 1 1 17 17 ASP H H 17 8.299 8.299 8.379 -0.080 25706 1412 1 4 . 1 1 18 18 ALA N N 18 121.057 121.057 121.795 -0.738 25706 1413 1 4 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.147 -0.022 25706 1414 1 4 . 1 1 18 18 ALA C C 18 180.942 180.942 179.704 1.238 25706 1415 1 4 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.980 -0.033 25706 1416 1 4 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.482 -0.265 25706 1417 1 4 . 1 1 18 18 ALA H H 18 7.851 7.851 7.481 0.370 25706 1418 1 4 . 1 1 19 19 LEU N N 19 122.159 122.159 119.945 2.214 25706 1419 1 4 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.096 -0.121 25706 1420 1 4 . 1 1 19 19 LEU C C 19 178.447 178.447 178.640 -0.193 25706 1421 1 4 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.653 1.161 25706 1422 1 4 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.200 0.173 25706 1423 1 4 . 1 1 19 19 LEU H H 19 7.941 7.941 7.414 0.527 25706 1424 1 4 . 1 1 20 20 LEU N N 20 119.065 119.065 118.883 0.182 25706 1425 1 4 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.938 -0.228 25706 1426 1 4 . 1 1 20 20 LEU C C 20 179.763 179.763 179.128 0.635 25706 1427 1 4 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.388 0.009 25706 1428 1 4 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.454 -1.588 25706 1429 1 4 . 1 1 20 20 LEU H H 20 8.454 8.454 8.697 -0.243 25706 1430 1 4 . 1 1 21 21 SER N N 21 115.603 115.603 114.064 1.539 25706 1431 1 4 . 1 1 21 21 SER HA H 21 4.199 4.199 4.176 0.023 25706 1432 1 4 . 1 1 21 21 SER C C 21 175.002 175.002 175.849 -0.847 25706 1433 1 4 . 1 1 21 21 SER CA C 21 62.502 62.502 61.871 0.631 25706 1434 1 4 . 1 1 21 21 SER CB C 21 62.806 62.806 62.766 0.041 25706 1435 1 4 . 1 1 21 21 SER H H 21 8.248 8.248 8.218 0.030 25706 1436 1 4 . 1 1 22 22 ALA N N 22 123.437 123.437 123.161 0.276 25706 1437 1 4 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.222 -0.156 25706 1438 1 4 . 1 1 22 22 ALA C C 22 180.273 180.273 178.586 1.687 25706 1439 1 4 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.779 0.708 25706 1440 1 4 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.550 -0.319 25706 1441 1 4 . 1 1 22 22 ALA H H 22 7.982 7.982 7.547 0.435 25706 1442 1 4 . 1 1 23 23 VAL N N 23 119.580 119.580 119.069 0.511 25706 1443 1 4 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.148 0.085 25706 1444 1 4 . 1 1 23 23 VAL C C 23 180.144 180.144 178.136 2.008 25706 1445 1 4 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.510 0.964 25706 1446 1 4 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.874 0.337 25706 1447 1 4 . 1 1 23 23 VAL H H 23 8.382 8.382 7.408 0.974 25706 1448 1 4 . 1 1 24 24 ARG N N 24 122.585 122.585 120.918 1.667 25706 1449 1 4 . 1 1 24 24 ARG HA H 24 3.921 3.921 3.885 0.036 25706 1450 1 4 . 1 1 24 24 ARG C C 24 177.169 177.169 177.400 -0.231 25706 1451 1 4 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.088 1.426 25706 1452 1 4 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.835 0.060 25706 1453 1 4 . 1 1 24 24 ARG H H 24 8.589 8.589 8.466 0.123 25706 1454 1 4 . 1 1 25 25 ASP N N 25 115.538 115.538 116.783 -1.245 25706 1455 1 4 . 1 1 25 25 ASP C C 25 175.579 175.579 175.422 0.157 25706 1456 1 4 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.263 1.090 25706 1457 1 4 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.765 -0.050 25706 1458 1 4 . 1 1 25 25 ASP H H 25 8.083 8.083 7.701 0.382 25706 1459 1 4 . 1 1 26 26 ASN N N 26 113.668 113.668 115.085 -1.417 25706 1460 1 4 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.431 0.061 25706 1461 1 4 . 1 1 26 26 ASN C C 26 174.953 174.953 175.658 -0.705 25706 1462 1 4 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.389 0.834 25706 1463 1 4 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.969 -0.518 25706 1464 1 4 . 1 1 26 26 ASN H H 26 7.860 7.860 7.807 0.053 25706 1465 1 4 . 1 1 27 27 ARG N N 27 117.078 117.078 115.802 1.276 25706 1466 1 4 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.470 -0.167 25706 1467 1 4 . 1 1 27 27 ARG C C 27 176.011 176.011 175.902 0.109 25706 1468 1 4 . 1 1 27 27 ARG CA C 27 57.582 57.582 55.625 1.957 25706 1469 1 4 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.494 -0.120 25706 1470 1 4 . 1 1 27 27 ARG H H 27 8.700 8.700 8.532 0.168 25706 1471 1 4 . 1 1 28 28 LEU N N 28 119.538 119.538 121.926 -2.388 25706 1472 1 4 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.720 -0.094 25706 1473 1 4 . 1 1 28 28 LEU C C 28 175.563 175.563 175.229 0.334 25706 1474 1 4 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.075 0.328 25706 1475 1 4 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.125 1.595 25706 1476 1 4 . 1 1 28 28 LEU H H 28 7.101 7.101 7.609 -0.508 25706 1477 1 4 . 1 1 29 29 SER N N 29 119.714 119.714 120.387 -0.673 25706 1478 1 4 . 1 1 29 29 SER HA H 29 4.512 4.512 4.737 -0.225 25706 1479 1 4 . 1 1 29 29 SER C C 29 174.769 174.769 175.565 -0.796 25706 1480 1 4 . 1 1 29 29 SER CA C 29 56.883 56.883 57.192 -0.309 25706 1481 1 4 . 1 1 29 29 SER CB C 29 65.067 65.067 64.770 0.297 25706 1482 1 4 . 1 1 29 29 SER H H 29 8.885 8.885 8.903 -0.018 25706 1483 1 4 . 1 1 30 30 ILE N N 30 121.990 121.990 124.307 -2.317 25706 1484 1 4 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.717 -0.153 25706 1485 1 4 . 1 1 30 30 ILE C C 30 177.419 177.419 178.005 -0.586 25706 1486 1 4 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.695 1.011 25706 1487 1 4 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.235 -0.103 25706 1488 1 4 . 1 1 30 30 ILE H H 30 8.953 8.953 8.806 0.147 25706 1489 1 4 . 1 1 31 31 GLU N N 31 117.222 117.222 118.824 -1.602 25706 1490 1 4 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.124 -0.261 25706 1491 1 4 . 1 1 31 31 GLU C C 31 179.559 179.559 179.044 0.515 25706 1492 1 4 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.257 1.257 25706 1493 1 4 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.038 0.008 25706 1494 1 4 . 1 1 31 31 GLU H H 31 8.669 8.669 8.681 -0.012 25706 1495 1 4 . 1 1 32 32 GLN N N 32 118.595 118.595 119.556 -0.961 25706 1496 1 4 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.091 -0.046 25706 1497 1 4 . 1 1 32 32 GLN C C 32 179.113 179.113 178.198 0.915 25706 1498 1 4 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.746 -0.245 25706 1499 1 4 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.413 0.873 25706 1500 1 4 . 1 1 32 32 GLN H H 32 7.949 7.949 8.353 -0.404 25706 1501 1 4 . 1 1 33 33 ALA N N 33 123.062 123.062 121.908 1.154 25706 1502 1 4 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.112 -0.199 25706 1503 1 4 . 1 1 33 33 ALA C C 33 178.918 178.918 179.872 -0.954 25706 1504 1 4 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.029 0.509 25706 1505 1 4 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.408 0.738 25706 1506 1 4 . 1 1 33 33 ALA H H 33 8.520 8.520 8.290 0.230 25706 1507 1 4 . 1 1 34 34 VAL N N 34 115.551 115.551 118.346 -2.795 25706 1508 1 4 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.683 -0.300 25706 1509 1 4 . 1 1 34 34 VAL C C 34 179.013 179.013 177.814 1.199 25706 1510 1 4 . 1 1 34 34 VAL CA C 34 67.031 67.031 67.075 -0.044 25706 1511 1 4 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.630 -0.055 25706 1512 1 4 . 1 1 34 34 VAL H H 34 8.469 8.469 7.850 0.619 25706 1513 1 4 . 1 1 35 35 THR N N 35 114.806 114.806 116.272 -1.466 25706 1514 1 4 . 1 1 35 35 THR HA H 35 4.012 4.012 4.055 -0.043 25706 1515 1 4 . 1 1 35 35 THR C C 35 176.151 176.151 176.388 -0.237 25706 1516 1 4 . 1 1 35 35 THR CA C 35 65.944 65.944 66.543 -0.599 25706 1517 1 4 . 1 1 35 35 THR CB C 35 68.902 68.902 68.449 0.453 25706 1518 1 4 . 1 1 35 35 THR H H 35 7.598 7.598 7.985 -0.387 25706 1519 1 4 . 1 1 36 36 LEU N N 36 120.922 120.922 119.841 1.081 25706 1520 1 4 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.246 -0.063 25706 1521 1 4 . 1 1 36 36 LEU C C 36 177.940 177.940 177.886 0.054 25706 1522 1 4 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.491 0.119 25706 1523 1 4 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.983 0.294 25706 1524 1 4 . 1 1 36 36 LEU H H 36 7.516 7.516 7.915 -0.399 25706 1525 1 4 . 1 1 37 37 LEU N N 37 118.066 118.066 119.318 -1.252 25706 1526 1 4 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.236 0.101 25706 1527 1 4 . 1 1 37 37 LEU C C 37 177.013 177.013 177.370 -0.357 25706 1528 1 4 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.726 -1.849 25706 1529 1 4 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.974 0.047 25706 1530 1 4 . 1 1 37 37 LEU H H 37 7.444 7.444 7.441 0.003 25706 1531 1 4 . 1 1 38 38 THR N N 38 116.689 116.689 117.130 -0.441 25706 1532 1 4 . 1 1 38 38 THR HA H 38 4.469 4.469 4.587 -0.118 25706 1533 1 4 . 1 1 38 38 THR CA C 38 61.736 61.736 61.447 0.289 25706 1534 1 4 . 1 1 38 38 THR CB C 38 69.544 69.544 68.644 0.899 25706 1535 1 4 . 1 1 38 38 THR H H 38 7.925 7.925 7.925 -0.000 25706 1536 1 4 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.354 0.119 25706 1537 1 4 . 1 1 39 39 PRO C C 39 177.055 177.055 176.034 1.021 25706 1538 1 4 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.507 0.998 25706 1539 1 4 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.400 -0.260 25706 1540 1 4 . 1 1 40 40 ARG N N 40 120.701 120.701 122.932 -2.231 25706 1541 1 4 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.398 -0.091 25706 1542 1 4 . 1 1 40 40 ARG C C 40 176.527 176.527 176.766 -0.239 25706 1543 1 4 . 1 1 40 40 ARG CA C 40 56.307 56.307 55.300 1.007 25706 1544 1 4 . 1 1 40 40 ARG CB C 40 30.797 30.797 29.971 0.826 25706 1545 1 4 . 1 1 40 40 ARG H H 40 8.384 8.384 8.317 0.067 25706 1546 1 4 . 1 1 41 41 ARG N N 41 121.467 121.467 119.511 1.956 25706 1547 1 4 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.116 0.265 25706 1548 1 4 . 1 1 41 41 ARG C C 41 176.791 176.791 176.080 0.711 25706 1549 1 4 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.365 -0.138 25706 1550 1 4 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.051 0.818 25706 1551 1 4 . 1 1 41 41 ARG H H 41 8.367 8.367 8.531 -0.164 25706 1552 1 4 . 1 1 42 42 GLY N N 42 110.418 110.418 109.072 1.346 25706 1553 1 4 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.443 0.904 25706 1554 1 4 . 1 1 42 42 GLY H H 42 8.538 8.538 8.458 0.080 25706 1555 1 4 . 1 1 44 44 GLY C C 44 174.487 174.487 173.703 0.784 25706 1556 1 4 . 1 1 45 45 SER N N 45 115.788 115.788 115.337 0.451 25706 1557 1 4 . 1 1 45 45 SER HA H 45 4.515 4.515 4.676 -0.161 25706 1558 1 4 . 1 1 45 45 SER C C 45 175.337 175.337 175.334 0.003 25706 1559 1 4 . 1 1 45 45 SER CA C 45 58.590 58.590 57.876 0.714 25706 1560 1 4 . 1 1 45 45 SER CB C 45 63.920 63.920 63.902 0.018 25706 1561 1 4 . 1 1 45 45 SER H H 45 8.422 8.422 8.294 0.128 25706 1562 1 4 . 1 1 46 46 GLY N N 46 111.003 111.003 108.705 2.298 25706 1563 1 4 . 1 1 46 46 GLY C C 46 174.837 174.837 175.511 -0.674 25706 1564 1 4 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.348 1.149 25706 1565 1 4 . 1 1 46 46 GLY H H 46 8.600 8.600 8.277 0.323 25706 1566 1 4 . 1 1 47 47 GLY N N 47 108.933 108.933 106.594 2.339 25706 1567 1 4 . 1 1 47 47 GLY C C 47 174.864 174.864 174.335 0.529 25706 1568 1 4 . 1 1 47 47 GLY H H 47 8.398 8.398 8.753 -0.355 25706 1569 1 4 . 1 1 48 48 GLY N N 48 108.905 108.905 107.891 1.014 25706 1570 1 4 . 1 1 48 48 GLY C C 48 174.496 174.496 173.615 0.881 25706 1571 1 4 . 1 1 48 48 GLY H H 48 8.418 8.418 7.480 0.938 25706 1572 1 4 . 1 1 49 49 SER N N 49 115.575 115.575 118.438 -2.863 25706 1573 1 4 . 1 1 49 49 SER HA H 49 4.439 4.439 4.569 -0.130 25706 1574 1 4 . 1 1 49 49 SER C C 49 174.539 174.539 173.556 0.983 25706 1575 1 4 . 1 1 49 49 SER CA C 49 58.826 58.826 58.669 0.157 25706 1576 1 4 . 1 1 49 49 SER CB C 49 64.100 64.100 62.642 1.458 25706 1577 1 4 . 1 1 49 49 SER H H 49 8.292 8.292 8.460 -0.168 25706 1578 1 4 . 1 1 50 50 MET N N 50 121.907 121.907 119.954 1.953 25706 1579 1 4 . 1 1 50 50 MET HA H 50 4.445 4.445 4.811 -0.366 25706 1580 1 4 . 1 1 50 50 MET C C 50 175.456 175.456 174.082 1.374 25706 1581 1 4 . 1 1 50 50 MET CA C 50 55.951 55.951 55.153 0.798 25706 1582 1 4 . 1 1 50 50 MET CB C 50 33.967 33.967 34.720 -0.753 25706 1583 1 4 . 1 1 50 50 MET H H 50 8.310 8.310 7.737 0.573 25706 1584 1 4 . 1 1 51 51 ASP N N 51 122.904 122.904 124.100 -1.196 25706 1585 1 4 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.891 -0.250 25706 1586 1 4 . 1 1 51 51 ASP C C 51 176.239 176.239 176.573 -0.334 25706 1587 1 4 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.306 0.205 25706 1588 1 4 . 1 1 51 51 ASP CB C 51 41.513 41.513 44.203 -2.690 25706 1589 1 4 . 1 1 51 51 ASP H H 51 8.506 8.506 8.363 0.143 25706 1590 1 4 . 1 1 52 52 ALA N N 52 123.354 123.354 127.272 -3.918 25706 1591 1 4 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.886 -0.040 25706 1592 1 4 . 1 1 52 52 ALA C C 52 178.517 178.517 178.679 -0.162 25706 1593 1 4 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.307 0.291 25706 1594 1 4 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.927 -0.310 25706 1595 1 4 . 1 1 52 52 ALA H H 52 8.506 8.506 8.837 -0.331 25706 1596 1 4 . 1 1 53 53 LYS N N 53 117.034 117.034 118.281 -1.247 25706 1597 1 4 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.019 -0.421 25706 1598 1 4 . 1 1 53 53 LYS C C 53 179.171 179.171 178.830 0.341 25706 1599 1 4 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.523 0.879 25706 1600 1 4 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.163 -0.105 25706 1601 1 4 . 1 1 53 53 LYS H H 53 8.407 8.407 8.437 -0.030 25706 1602 1 4 . 1 1 54 54 GLU N N 54 123.212 123.212 119.823 3.389 25706 1603 1 4 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.134 -0.061 25706 1604 1 4 . 1 1 54 54 GLU C C 54 178.526 178.526 179.036 -0.510 25706 1605 1 4 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.057 0.687 25706 1606 1 4 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.157 0.181 25706 1607 1 4 . 1 1 54 54 GLU H H 54 8.005 8.005 8.056 -0.051 25706 1608 1 4 . 1 1 55 55 ILE N N 55 119.567 119.567 120.913 -1.346 25706 1609 1 4 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.717 -0.288 25706 1610 1 4 . 1 1 55 55 ILE C C 55 177.999 177.999 178.257 -0.258 25706 1611 1 4 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.690 -0.078 25706 1612 1 4 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.863 0.848 25706 1613 1 4 . 1 1 55 55 ILE H H 55 8.088 8.088 8.259 -0.171 25706 1614 1 4 . 1 1 56 56 LEU N N 56 116.646 116.646 119.933 -3.287 25706 1615 1 4 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.185 -0.181 25706 1616 1 4 . 1 1 56 56 LEU C C 56 178.636 178.636 179.436 -0.800 25706 1617 1 4 . 1 1 56 56 LEU CA C 56 58.064 58.064 57.910 0.154 25706 1618 1 4 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.450 2.494 25706 1619 1 4 . 1 1 56 56 LEU H H 56 8.477 8.477 8.529 -0.052 25706 1620 1 4 . 1 1 57 57 THR N N 57 117.148 117.148 116.360 0.788 25706 1621 1 4 . 1 1 57 57 THR HA H 57 3.833 3.833 3.909 -0.076 25706 1622 1 4 . 1 1 57 57 THR C C 57 175.836 175.836 176.892 -1.056 25706 1623 1 4 . 1 1 57 57 THR CA C 57 67.615 67.615 67.345 0.270 25706 1624 1 4 . 1 1 57 57 THR CB C 57 68.860 68.860 68.577 0.283 25706 1625 1 4 . 1 1 57 57 THR H H 57 8.260 8.260 8.523 -0.263 25706 1626 1 4 . 1 1 58 58 ARG N N 58 120.818 120.818 121.440 -0.622 25706 1627 1 4 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.022 0.226 25706 1628 1 4 . 1 1 58 58 ARG C C 58 179.476 179.476 178.390 1.086 25706 1629 1 4 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.738 -0.463 25706 1630 1 4 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.172 0.376 25706 1631 1 4 . 1 1 58 58 ARG H H 58 8.202 8.202 8.259 -0.057 25706 1632 1 4 . 1 1 59 59 PHE N N 59 119.668 119.668 120.915 -1.247 25706 1633 1 4 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.360 0.388 25706 1634 1 4 . 1 1 59 59 PHE C C 59 178.260 178.260 177.415 0.845 25706 1635 1 4 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.103 0.174 25706 1636 1 4 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.211 0.009 25706 1637 1 4 . 1 1 59 59 PHE H H 59 8.615 8.615 8.509 0.106 25706 1638 1 4 . 1 1 60 60 LYS N N 60 123.687 123.687 119.584 4.103 25706 1639 1 4 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.825 -0.338 25706 1640 1 4 . 1 1 60 60 LYS C C 60 177.801 177.801 178.065 -0.264 25706 1641 1 4 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.107 0.718 25706 1642 1 4 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.269 0.147 25706 1643 1 4 . 1 1 60 60 LYS H H 60 8.800 8.800 8.432 0.368 25706 1644 1 4 . 1 1 61 61 ASP N N 61 116.083 116.083 116.705 -0.622 25706 1645 1 4 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.504 0.089 25706 1646 1 4 . 1 1 61 61 ASP C C 61 177.052 177.052 177.073 -0.021 25706 1647 1 4 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.479 0.440 25706 1648 1 4 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.334 -0.328 25706 1649 1 4 . 1 1 61 61 ASP H H 61 8.107 8.107 7.829 0.278 25706 1650 1 4 . 1 1 62 62 GLY N N 62 107.294 107.294 106.149 1.145 25706 1651 1 4 . 1 1 62 62 GLY C C 62 175.018 175.018 175.636 -0.618 25706 1652 1 4 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.089 0.296 25706 1653 1 4 . 1 1 62 62 GLY H H 62 7.625 7.625 7.609 0.016 25706 1654 1 4 . 1 1 63 63 GLY N N 63 109.718 109.718 107.541 2.177 25706 1655 1 4 . 1 1 63 63 GLY C C 63 173.393 173.393 172.890 0.503 25706 1656 1 4 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.807 0.930 25706 1657 1 4 . 1 1 63 63 GLY H H 63 8.687 8.687 8.331 0.356 25706 1658 1 4 . 1 1 64 64 LEU N N 64 119.332 119.332 119.114 0.218 25706 1659 1 4 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.831 -0.113 25706 1660 1 4 . 1 1 64 64 LEU C C 64 175.357 175.357 174.672 0.685 25706 1661 1 4 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.908 0.028 25706 1662 1 4 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.994 1.083 25706 1663 1 4 . 1 1 64 64 LEU H H 64 7.034 7.034 7.345 -0.311 25706 1664 1 4 . 1 1 65 65 ASP N N 65 121.569 121.569 123.302 -1.733 25706 1665 1 4 . 1 1 65 65 ASP HA H 65 4.793 4.793 5.186 -0.393 25706 1666 1 4 . 1 1 65 65 ASP C C 65 175.652 175.652 177.222 -1.570 25706 1667 1 4 . 1 1 65 65 ASP CA C 65 52.877 52.877 53.894 -1.017 25706 1668 1 4 . 1 1 65 65 ASP CB C 65 41.818 41.818 43.232 -1.414 25706 1669 1 4 . 1 1 65 65 ASP H H 65 8.287 8.287 8.681 -0.394 25706 1670 1 4 . 1 1 66 66 ARG N N 66 120.199 120.199 121.713 -1.514 25706 1671 1 4 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.782 -0.027 25706 1672 1 4 . 1 1 66 66 ARG C C 66 177.271 177.271 178.196 -0.925 25706 1673 1 4 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.304 1.260 25706 1674 1 4 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.392 0.458 25706 1675 1 4 . 1 1 66 66 ARG H H 66 8.860 8.860 8.998 -0.138 25706 1676 1 4 . 1 1 67 67 ALA N N 67 120.212 120.212 120.360 -0.148 25706 1677 1 4 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.151 -0.067 25706 1678 1 4 . 1 1 67 67 ALA C C 67 181.015 181.015 179.365 1.650 25706 1679 1 4 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.866 0.310 25706 1680 1 4 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.097 -0.256 25706 1681 1 4 . 1 1 67 67 ALA H H 67 8.339 8.339 8.475 -0.136 25706 1682 1 4 . 1 1 68 68 ALA N N 68 122.433 122.433 121.083 1.350 25706 1683 1 4 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.109 0.046 25706 1684 1 4 . 1 1 68 68 ALA C C 68 180.071 180.071 179.386 0.685 25706 1685 1 4 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.461 0.489 25706 1686 1 4 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.241 1.006 25706 1687 1 4 . 1 1 68 68 ALA H H 68 8.184 8.184 7.559 0.625 25706 1688 1 4 . 1 1 69 69 ALA N N 69 119.845 119.845 121.239 -1.394 25706 1689 1 4 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.806 0.026 25706 1690 1 4 . 1 1 69 69 ALA C C 69 178.826 178.826 179.691 -0.865 25706 1691 1 4 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.050 0.480 25706 1692 1 4 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.684 0.292 25706 1693 1 4 . 1 1 69 69 ALA H H 69 8.511 8.511 8.380 0.131 25706 1694 1 4 . 1 1 70 70 GLN N N 70 116.137 116.137 118.259 -2.122 25706 1695 1 4 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.806 -0.206 25706 1696 1 4 . 1 1 70 70 GLN C C 70 177.832 177.832 178.424 -0.592 25706 1697 1 4 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.993 1.056 25706 1698 1 4 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.549 -0.374 25706 1699 1 4 . 1 1 70 70 GLN H H 70 8.528 8.528 8.110 0.418 25706 1700 1 4 . 1 1 71 71 ALA N N 71 120.118 120.118 123.184 -3.066 25706 1701 1 4 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.921 0.142 25706 1702 1 4 . 1 1 71 71 ALA C C 71 180.495 180.495 179.431 1.064 25706 1703 1 4 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.315 -0.137 25706 1704 1 4 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.443 -0.547 25706 1705 1 4 . 1 1 71 71 ALA H H 71 7.625 7.625 7.692 -0.067 25706 1706 1 4 . 1 1 72 72 LEU N N 72 117.959 117.959 119.164 -1.205 25706 1707 1 4 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.393 -0.220 25706 1708 1 4 . 1 1 72 72 LEU C C 72 180.674 180.674 180.146 0.528 25706 1709 1 4 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.432 0.122 25706 1710 1 4 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.578 1.189 25706 1711 1 4 . 1 1 72 72 LEU H H 72 8.068 8.068 8.182 -0.114 25706 1712 1 4 . 1 1 73 73 LEU N N 73 119.237 119.237 119.399 -0.162 25706 1713 1 4 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.044 0.070 25706 1714 1 4 . 1 1 73 73 LEU C C 73 177.691 177.691 177.940 -0.249 25706 1715 1 4 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.044 -0.320 25706 1716 1 4 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.754 0.835 25706 1717 1 4 . 1 1 73 73 LEU H H 73 8.251 8.251 8.116 0.135 25706 1718 1 4 . 1 1 74 74 ALA N N 74 120.421 120.421 118.448 1.973 25706 1719 1 4 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.269 0.019 25706 1720 1 4 . 1 1 74 74 ALA C C 74 178.222 178.222 177.890 0.332 25706 1721 1 4 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.411 0.450 25706 1722 1 4 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.310 -0.112 25706 1723 1 4 . 1 1 74 74 ALA H H 74 7.765 7.765 7.878 -0.113 25706 1724 1 4 . 1 1 75 75 GLY N N 75 106.485 106.485 106.794 -0.309 25706 1725 1 4 . 1 1 75 75 GLY C C 75 174.299 174.299 173.712 0.587 25706 1726 1 4 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.001 0.786 25706 1727 1 4 . 1 1 75 75 GLY H H 75 7.895 7.895 7.691 0.204 25706 1728 1 4 . 1 1 76 76 ARG N N 76 119.703 119.703 117.767 1.936 25706 1729 1 4 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.907 -0.405 25706 1730 1 4 . 1 1 76 76 ARG C C 76 175.750 175.750 174.004 1.746 25706 1731 1 4 . 1 1 76 76 ARG CA C 76 55.407 55.407 54.286 1.121 25706 1732 1 4 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.054 -0.751 25706 1733 1 4 . 1 1 76 76 ARG H H 76 8.110 8.110 8.081 0.029 25706 1734 1 4 . 1 1 77 77 THR N N 77 116.771 116.771 111.347 5.424 25706 1735 1 4 . 1 1 77 77 THR HA H 77 4.582 4.582 4.794 -0.212 25706 1736 1 4 . 1 1 77 77 THR CA C 77 59.920 59.920 58.340 1.579 25706 1737 1 4 . 1 1 77 77 THR CB C 77 69.810 69.810 69.885 -0.075 25706 1738 1 4 . 1 1 77 77 THR H H 77 8.181 8.181 8.275 -0.094 25706 1739 1 4 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.579 -0.211 25706 1740 1 4 . 1 1 78 78 PRO C C 78 176.366 176.366 176.433 -0.067 25706 1741 1 4 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.553 0.601 25706 1742 1 4 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.660 -0.552 25706 1743 1 4 . 1 1 79 79 ALA N N 79 124.715 124.715 122.019 2.696 25706 1744 1 4 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.251 -0.005 25706 1745 1 4 . 1 1 79 79 ALA C C 79 177.314 177.314 177.431 -0.117 25706 1746 1 4 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.916 0.482 25706 1747 1 4 . 1 1 79 79 ALA CB C 79 19.306 19.306 18.244 1.062 25706 1748 1 4 . 1 1 79 79 ALA H H 79 8.417 8.417 8.338 0.079 25706 1749 1 4 . 1 1 80 80 ALA N N 80 123.467 123.467 122.393 1.074 25706 1750 1 4 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.354 -0.064 25706 1751 1 4 . 1 1 80 80 ALA C C 80 177.000 177.000 178.199 -1.199 25706 1752 1 4 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.549 0.461 25706 1753 1 4 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.286 0.161 25706 1754 1 4 . 1 1 80 80 ALA H H 80 8.232 8.232 7.624 0.608 25706 1755 1 4 . 1 1 81 81 ALA N N 81 125.029 125.029 121.778 3.251 25706 1756 1 4 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.273 0.289 25706 1757 1 4 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.923 -1.492 25706 1758 1 4 . 1 1 81 81 ALA CB C 81 19.480 19.480 17.764 1.716 25706 1759 1 4 . 1 1 81 81 ALA H H 81 8.250 8.250 8.233 0.017 25706 1760 1 4 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.367 0.045 25706 1761 1 4 . 1 1 82 82 PRO C C 82 176.531 176.531 176.265 0.266 25706 1762 1 4 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.588 0.410 25706 1763 1 4 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.329 1.754 25706 1764 1 4 . 1 1 83 83 ARG N N 83 122.956 122.956 118.515 4.441 25706 1765 1 4 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.075 0.536 25706 1766 1 4 . 1 1 83 83 ARG CA C 83 53.778 53.778 56.150 -2.372 25706 1767 1 4 . 1 1 83 83 ARG CB C 83 30.242 30.242 27.985 2.257 25706 1768 1 4 . 1 1 83 83 ARG H H 83 8.384 8.384 8.070 0.314 25706 1769 1 5 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.644 -0.172 25706 1770 1 5 . 1 1 2 2 PRO C C 2 177.459 177.459 176.399 1.060 25706 1771 1 5 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.835 0.739 25706 1772 1 5 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.510 -0.364 25706 1773 1 5 . 1 1 3 3 GLY N N 3 109.882 109.882 107.690 2.192 25706 1774 1 5 . 1 1 3 3 GLY C C 3 174.103 174.103 172.702 1.401 25706 1775 1 5 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.667 0.605 25706 1776 1 5 . 1 1 3 3 GLY H H 3 8.645 8.645 8.901 -0.256 25706 1777 1 5 . 1 1 4 4 SER N N 4 115.534 115.534 115.161 0.373 25706 1778 1 5 . 1 1 4 4 SER HA H 4 4.438 4.438 4.777 -0.339 25706 1779 1 5 . 1 1 4 4 SER C C 4 174.137 174.137 173.872 0.265 25706 1780 1 5 . 1 1 4 4 SER CA C 4 58.319 58.319 58.065 0.254 25706 1781 1 5 . 1 1 4 4 SER CB C 4 63.864 63.864 63.992 -0.128 25706 1782 1 5 . 1 1 4 4 SER H H 4 8.127 8.127 8.377 -0.250 25706 1783 1 5 . 1 1 5 5 TYR N N 5 122.533 122.533 123.528 -0.995 25706 1784 1 5 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.143 0.527 25706 1785 1 5 . 1 1 5 5 TYR C C 5 176.109 176.109 175.018 1.091 25706 1786 1 5 . 1 1 5 5 TYR CA C 5 58.115 58.115 59.419 -1.304 25706 1787 1 5 . 1 1 5 5 TYR CB C 5 38.855 38.855 38.104 0.751 25706 1788 1 5 . 1 1 5 5 TYR H H 5 8.349 8.349 8.607 -0.258 25706 1789 1 5 . 1 1 6 6 THR N N 6 116.290 116.290 114.453 1.837 25706 1790 1 5 . 1 1 6 6 THR HA H 6 4.305 4.305 4.073 0.232 25706 1791 1 5 . 1 1 6 6 THR C C 6 174.899 174.899 174.922 -0.023 25706 1792 1 5 . 1 1 6 6 THR CA C 6 61.743 61.743 61.739 0.004 25706 1793 1 5 . 1 1 6 6 THR CB C 6 69.859 69.859 68.961 0.898 25706 1794 1 5 . 1 1 6 6 THR H H 6 8.177 8.177 7.668 0.509 25706 1795 1 5 . 1 1 7 7 GLY N N 7 110.576 110.576 111.728 -1.152 25706 1796 1 5 . 1 1 7 7 GLY C C 7 173.596 173.596 174.194 -0.598 25706 1797 1 5 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.078 0.269 25706 1798 1 5 . 1 1 7 7 GLY H H 7 7.646 7.646 7.739 -0.093 25706 1799 1 5 . 1 1 8 8 ALA N N 8 123.499 123.499 122.202 1.297 25706 1800 1 5 . 1 1 8 8 ALA HA H 8 4.355 4.355 3.991 0.364 25706 1801 1 5 . 1 1 8 8 ALA C C 8 178.119 178.119 178.641 -0.522 25706 1802 1 5 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.133 0.414 25706 1803 1 5 . 1 1 8 8 ALA CB C 8 19.387 19.387 17.557 1.830 25706 1804 1 5 . 1 1 8 8 ALA H H 8 8.171 8.171 8.461 -0.290 25706 1805 1 5 . 1 1 9 9 GLY N N 9 108.467 108.467 106.849 1.618 25706 1806 1 5 . 1 1 9 9 GLY C C 9 173.664 173.664 174.945 -1.281 25706 1807 1 5 . 1 1 9 9 GLY CA C 9 45.129 45.129 45.341 -0.212 25706 1808 1 5 . 1 1 9 9 GLY H H 9 8.398 8.398 8.472 -0.074 25706 1809 1 5 . 1 1 10 10 GLU N N 10 121.535 121.535 119.765 1.770 25706 1810 1 5 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.627 -0.029 25706 1811 1 5 . 1 1 10 10 GLU CA C 10 54.252 54.252 53.574 0.678 25706 1812 1 5 . 1 1 10 10 GLU CB C 10 29.959 29.959 31.287 -1.327 25706 1813 1 5 . 1 1 10 10 GLU H H 10 8.230 8.230 7.758 0.472 25706 1814 1 5 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.446 0.008 25706 1815 1 5 . 1 1 11 11 PRO C C 11 176.799 176.799 176.164 0.635 25706 1816 1 5 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.558 0.744 25706 1817 1 5 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.345 -0.321 25706 1818 1 5 . 1 1 12 12 SER N N 12 117.122 117.122 116.986 0.136 25706 1819 1 5 . 1 1 12 12 SER HA H 12 4.469 4.469 4.447 0.022 25706 1820 1 5 . 1 1 12 12 SER C C 12 174.904 174.904 175.959 -1.055 25706 1821 1 5 . 1 1 12 12 SER CA C 12 57.876 57.876 58.575 -0.700 25706 1822 1 5 . 1 1 12 12 SER CB C 12 64.624 64.624 63.867 0.757 25706 1823 1 5 . 1 1 12 12 SER H H 12 8.721 8.721 8.398 0.323 25706 1824 1 5 . 1 1 13 13 GLN N N 13 121.678 121.678 126.790 -5.112 25706 1825 1 5 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.009 0.111 25706 1826 1 5 . 1 1 13 13 GLN C C 13 178.113 178.113 177.432 0.681 25706 1827 1 5 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.660 -0.803 25706 1828 1 5 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.490 0.252 25706 1829 1 5 . 1 1 13 13 GLN H H 13 8.660 8.660 9.047 -0.387 25706 1830 1 5 . 1 1 14 14 ALA N N 14 122.557 122.557 121.324 1.233 25706 1831 1 5 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.195 0.013 25706 1832 1 5 . 1 1 14 14 ALA C C 14 179.168 179.168 179.061 0.107 25706 1833 1 5 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.430 -0.367 25706 1834 1 5 . 1 1 14 14 ALA CB C 14 18.974 18.974 17.983 0.991 25706 1835 1 5 . 1 1 14 14 ALA H H 14 8.251 8.251 8.403 -0.152 25706 1836 1 5 . 1 1 15 15 ASP N N 15 120.191 120.191 119.988 0.203 25706 1837 1 5 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.484 0.011 25706 1838 1 5 . 1 1 15 15 ASP C C 15 178.121 178.121 178.256 -0.135 25706 1839 1 5 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.597 -1.094 25706 1840 1 5 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.985 -0.400 25706 1841 1 5 . 1 1 15 15 ASP H H 15 8.049 8.049 7.574 0.475 25706 1842 1 5 . 1 1 16 16 LEU N N 16 122.661 122.661 120.379 2.282 25706 1843 1 5 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.849 0.154 25706 1844 1 5 . 1 1 16 16 LEU C C 16 178.320 178.320 178.459 -0.139 25706 1845 1 5 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.134 -0.399 25706 1846 1 5 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.796 0.121 25706 1847 1 5 . 1 1 16 16 LEU H H 16 8.258 8.258 7.963 0.295 25706 1848 1 5 . 1 1 17 17 ASP N N 17 119.364 119.364 118.968 0.396 25706 1849 1 5 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.238 0.005 25706 1850 1 5 . 1 1 17 17 ASP C C 17 178.534 178.534 178.210 0.324 25706 1851 1 5 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.545 0.549 25706 1852 1 5 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.746 0.709 25706 1853 1 5 . 1 1 17 17 ASP H H 17 8.299 8.299 8.129 0.170 25706 1854 1 5 . 1 1 18 18 ALA N N 18 121.057 121.057 121.546 -0.489 25706 1855 1 5 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.164 -0.039 25706 1856 1 5 . 1 1 18 18 ALA C C 18 180.942 180.942 179.741 1.201 25706 1857 1 5 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.901 0.046 25706 1858 1 5 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.534 -0.317 25706 1859 1 5 . 1 1 18 18 ALA H H 18 7.851 7.851 7.687 0.164 25706 1860 1 5 . 1 1 19 19 LEU N N 19 122.159 122.159 120.141 2.018 25706 1861 1 5 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.066 -0.091 25706 1862 1 5 . 1 1 19 19 LEU C C 19 178.447 178.447 178.632 -0.185 25706 1863 1 5 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.707 1.107 25706 1864 1 5 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.133 0.240 25706 1865 1 5 . 1 1 19 19 LEU H H 19 7.941 7.941 7.608 0.333 25706 1866 1 5 . 1 1 20 20 LEU N N 20 119.065 119.065 118.495 0.570 25706 1867 1 5 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.895 -0.185 25706 1868 1 5 . 1 1 20 20 LEU C C 20 179.763 179.763 179.124 0.639 25706 1869 1 5 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.302 0.095 25706 1870 1 5 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.287 -1.421 25706 1871 1 5 . 1 1 20 20 LEU H H 20 8.454 8.454 8.612 -0.158 25706 1872 1 5 . 1 1 21 21 SER N N 21 115.603 115.603 114.206 1.397 25706 1873 1 5 . 1 1 21 21 SER HA H 21 4.199 4.199 4.129 0.070 25706 1874 1 5 . 1 1 21 21 SER C C 21 175.002 175.002 175.922 -0.920 25706 1875 1 5 . 1 1 21 21 SER CA C 21 62.502 62.502 61.200 1.302 25706 1876 1 5 . 1 1 21 21 SER CB C 21 62.806 62.806 63.056 -0.250 25706 1877 1 5 . 1 1 21 21 SER H H 21 8.248 8.248 7.945 0.303 25706 1878 1 5 . 1 1 22 22 ALA N N 22 123.437 123.437 123.713 -0.276 25706 1879 1 5 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.184 -0.118 25706 1880 1 5 . 1 1 22 22 ALA C C 22 180.273 180.273 178.511 1.762 25706 1881 1 5 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.696 0.791 25706 1882 1 5 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.574 -0.343 25706 1883 1 5 . 1 1 22 22 ALA H H 22 7.982 7.982 7.505 0.477 25706 1884 1 5 . 1 1 23 23 VAL N N 23 119.580 119.580 119.096 0.484 25706 1885 1 5 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.176 0.057 25706 1886 1 5 . 1 1 23 23 VAL C C 23 180.144 180.144 178.195 1.949 25706 1887 1 5 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.344 1.130 25706 1888 1 5 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.920 0.291 25706 1889 1 5 . 1 1 23 23 VAL H H 23 8.382 8.382 7.662 0.720 25706 1890 1 5 . 1 1 24 24 ARG N N 24 122.585 122.585 119.779 2.806 25706 1891 1 5 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.006 -0.085 25706 1892 1 5 . 1 1 24 24 ARG C C 24 177.169 177.169 177.329 -0.160 25706 1893 1 5 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.213 1.301 25706 1894 1 5 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.025 -0.130 25706 1895 1 5 . 1 1 24 24 ARG H H 24 8.589 8.589 8.398 0.191 25706 1896 1 5 . 1 1 25 25 ASP N N 25 115.538 115.538 116.876 -1.338 25706 1897 1 5 . 1 1 25 25 ASP C C 25 175.579 175.579 175.700 -0.121 25706 1898 1 5 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.225 1.128 25706 1899 1 5 . 1 1 25 25 ASP CB C 25 40.715 40.715 41.290 -0.575 25706 1900 1 5 . 1 1 25 25 ASP H H 25 8.083 8.083 7.678 0.405 25706 1901 1 5 . 1 1 26 26 ASN N N 26 113.668 113.668 114.770 -1.102 25706 1902 1 5 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.348 0.144 25706 1903 1 5 . 1 1 26 26 ASN C C 26 174.953 174.953 175.417 -0.464 25706 1904 1 5 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.990 0.233 25706 1905 1 5 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.693 0.758 25706 1906 1 5 . 1 1 26 26 ASN H H 26 7.860 7.860 8.007 -0.147 25706 1907 1 5 . 1 1 27 27 ARG N N 27 117.078 117.078 117.191 -0.113 25706 1908 1 5 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.402 -0.099 25706 1909 1 5 . 1 1 27 27 ARG C C 27 176.011 176.011 175.152 0.859 25706 1910 1 5 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.259 1.323 25706 1911 1 5 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.363 0.011 25706 1912 1 5 . 1 1 27 27 ARG H H 27 8.700 8.700 8.138 0.562 25706 1913 1 5 . 1 1 28 28 LEU N N 28 119.538 119.538 120.776 -1.238 25706 1914 1 5 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.769 -0.143 25706 1915 1 5 . 1 1 28 28 LEU C C 28 175.563 175.563 175.383 0.180 25706 1916 1 5 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.025 0.378 25706 1917 1 5 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.080 1.640 25706 1918 1 5 . 1 1 28 28 LEU H H 28 7.101 7.101 7.609 -0.508 25706 1919 1 5 . 1 1 29 29 SER N N 29 119.714 119.714 120.876 -1.162 25706 1920 1 5 . 1 1 29 29 SER HA H 29 4.512 4.512 4.718 -0.206 25706 1921 1 5 . 1 1 29 29 SER C C 29 174.769 174.769 175.706 -0.937 25706 1922 1 5 . 1 1 29 29 SER CA C 29 56.883 56.883 57.242 -0.359 25706 1923 1 5 . 1 1 29 29 SER CB C 29 65.067 65.067 65.126 -0.059 25706 1924 1 5 . 1 1 29 29 SER H H 29 8.885 8.885 8.829 0.056 25706 1925 1 5 . 1 1 30 30 ILE N N 30 121.990 121.990 124.465 -2.475 25706 1926 1 5 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.712 -0.148 25706 1927 1 5 . 1 1 30 30 ILE C C 30 177.419 177.419 178.113 -0.694 25706 1928 1 5 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.873 0.833 25706 1929 1 5 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.252 -0.120 25706 1930 1 5 . 1 1 30 30 ILE H H 30 8.953 8.953 8.832 0.121 25706 1931 1 5 . 1 1 31 31 GLU N N 31 117.222 117.222 118.818 -1.596 25706 1932 1 5 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.109 -0.246 25706 1933 1 5 . 1 1 31 31 GLU C C 31 179.559 179.559 179.033 0.526 25706 1934 1 5 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.316 1.198 25706 1935 1 5 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.048 -0.002 25706 1936 1 5 . 1 1 31 31 GLU H H 31 8.669 8.669 8.686 -0.017 25706 1937 1 5 . 1 1 32 32 GLN N N 32 118.595 118.595 119.481 -0.886 25706 1938 1 5 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.108 -0.063 25706 1939 1 5 . 1 1 32 32 GLN C C 32 179.113 179.113 178.177 0.936 25706 1940 1 5 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.715 -0.214 25706 1941 1 5 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.433 0.853 25706 1942 1 5 . 1 1 32 32 GLN H H 32 7.949 7.949 8.340 -0.391 25706 1943 1 5 . 1 1 33 33 ALA N N 33 123.062 123.062 122.051 1.011 25706 1944 1 5 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.128 -0.215 25706 1945 1 5 . 1 1 33 33 ALA C C 33 178.918 178.918 179.874 -0.956 25706 1946 1 5 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.949 0.589 25706 1947 1 5 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.348 0.798 25706 1948 1 5 . 1 1 33 33 ALA H H 33 8.520 8.520 8.322 0.198 25706 1949 1 5 . 1 1 34 34 VAL N N 34 115.551 115.551 118.021 -2.470 25706 1950 1 5 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.683 -0.300 25706 1951 1 5 . 1 1 34 34 VAL C C 34 179.013 179.013 177.989 1.024 25706 1952 1 5 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.178 0.853 25706 1953 1 5 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.784 -0.209 25706 1954 1 5 . 1 1 34 34 VAL H H 34 8.469 8.469 7.693 0.776 25706 1955 1 5 . 1 1 35 35 THR N N 35 114.806 114.806 115.082 -0.276 25706 1956 1 5 . 1 1 35 35 THR HA H 35 4.012 4.012 4.106 -0.094 25706 1957 1 5 . 1 1 35 35 THR C C 35 176.151 176.151 176.267 -0.116 25706 1958 1 5 . 1 1 35 35 THR CA C 35 65.944 65.944 65.647 0.297 25706 1959 1 5 . 1 1 35 35 THR CB C 35 68.902 68.902 69.010 -0.108 25706 1960 1 5 . 1 1 35 35 THR H H 35 7.598 7.598 7.853 -0.255 25706 1961 1 5 . 1 1 36 36 LEU N N 36 120.922 120.922 119.740 1.182 25706 1962 1 5 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.259 -0.076 25706 1963 1 5 . 1 1 36 36 LEU C C 36 177.940 177.940 178.441 -0.501 25706 1964 1 5 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.367 0.243 25706 1965 1 5 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.884 0.393 25706 1966 1 5 . 1 1 36 36 LEU H H 36 7.516 7.516 8.236 -0.720 25706 1967 1 5 . 1 1 37 37 LEU N N 37 118.066 118.066 120.026 -1.960 25706 1968 1 5 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.289 0.048 25706 1969 1 5 . 1 1 37 37 LEU C C 37 177.013 177.013 177.158 -0.145 25706 1970 1 5 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.381 -1.504 25706 1971 1 5 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.000 0.021 25706 1972 1 5 . 1 1 37 37 LEU H H 37 7.444 7.444 7.599 -0.155 25706 1973 1 5 . 1 1 38 38 THR N N 38 116.689 116.689 112.194 4.495 25706 1974 1 5 . 1 1 38 38 THR HA H 38 4.469 4.469 4.073 0.396 25706 1975 1 5 . 1 1 38 38 THR CA C 38 61.736 61.736 62.795 -1.059 25706 1976 1 5 . 1 1 38 38 THR CB C 38 69.544 69.544 67.523 2.021 25706 1977 1 5 . 1 1 38 38 THR H H 38 7.925 7.925 8.123 -0.198 25706 1978 1 5 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.448 0.025 25706 1979 1 5 . 1 1 39 39 PRO C C 39 177.055 177.055 177.383 -0.328 25706 1980 1 5 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.604 0.901 25706 1981 1 5 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.432 -0.292 25706 1982 1 5 . 1 1 40 40 ARG N N 40 120.701 120.701 120.543 0.158 25706 1983 1 5 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.148 0.159 25706 1984 1 5 . 1 1 40 40 ARG C C 40 176.527 176.527 175.906 0.621 25706 1985 1 5 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.048 -0.741 25706 1986 1 5 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.885 -0.088 25706 1987 1 5 . 1 1 40 40 ARG H H 40 8.384 8.384 8.650 -0.266 25706 1988 1 5 . 1 1 41 41 ARG N N 41 121.467 121.467 121.995 -0.528 25706 1989 1 5 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.471 -0.090 25706 1990 1 5 . 1 1 41 41 ARG C C 41 176.791 176.791 176.248 0.543 25706 1991 1 5 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.355 0.872 25706 1992 1 5 . 1 1 41 41 ARG CB C 41 30.869 30.869 31.419 -0.550 25706 1993 1 5 . 1 1 41 41 ARG H H 41 8.367 8.367 8.456 -0.089 25706 1994 1 5 . 1 1 42 42 GLY N N 42 110.418 110.418 113.948 -3.530 25706 1995 1 5 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.010 0.337 25706 1996 1 5 . 1 1 42 42 GLY H H 42 8.538 8.538 8.659 -0.121 25706 1997 1 5 . 1 1 44 44 GLY C C 44 174.487 174.487 174.994 -0.507 25706 1998 1 5 . 1 1 45 45 SER N N 45 115.788 115.788 116.230 -0.442 25706 1999 1 5 . 1 1 45 45 SER HA H 45 4.515 4.515 4.528 -0.013 25706 2000 1 5 . 1 1 45 45 SER C C 45 175.337 175.337 174.420 0.917 25706 2001 1 5 . 1 1 45 45 SER CA C 45 58.590 58.590 57.885 0.705 25706 2002 1 5 . 1 1 45 45 SER CB C 45 63.920 63.920 63.493 0.427 25706 2003 1 5 . 1 1 45 45 SER H H 45 8.422 8.422 7.950 0.472 25706 2004 1 5 . 1 1 46 46 GLY N N 46 111.003 111.003 109.542 1.461 25706 2005 1 5 . 1 1 46 46 GLY C C 46 174.837 174.837 174.129 0.708 25706 2006 1 5 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.786 0.711 25706 2007 1 5 . 1 1 46 46 GLY H H 46 8.600 8.600 7.565 1.035 25706 2008 1 5 . 1 1 47 47 GLY N N 47 108.933 108.933 109.796 -0.863 25706 2009 1 5 . 1 1 47 47 GLY C C 47 174.864 174.864 174.804 0.060 25706 2010 1 5 . 1 1 47 47 GLY H H 47 8.398 8.398 8.266 0.132 25706 2011 1 5 . 1 1 48 48 GLY N N 48 108.905 108.905 107.627 1.278 25706 2012 1 5 . 1 1 48 48 GLY C C 48 174.496 174.496 174.843 -0.347 25706 2013 1 5 . 1 1 48 48 GLY H H 48 8.418 8.418 8.247 0.171 25706 2014 1 5 . 1 1 49 49 SER N N 49 115.575 115.575 115.828 -0.253 25706 2015 1 5 . 1 1 49 49 SER HA H 49 4.439 4.439 4.391 0.048 25706 2016 1 5 . 1 1 49 49 SER C C 49 174.539 174.539 175.541 -1.002 25706 2017 1 5 . 1 1 49 49 SER CA C 49 58.826 58.826 59.274 -0.448 25706 2018 1 5 . 1 1 49 49 SER CB C 49 64.100 64.100 63.406 0.694 25706 2019 1 5 . 1 1 49 49 SER H H 49 8.292 8.292 8.303 -0.011 25706 2020 1 5 . 1 1 50 50 MET N N 50 121.907 121.907 120.023 1.884 25706 2021 1 5 . 1 1 50 50 MET HA H 50 4.445 4.445 4.167 0.278 25706 2022 1 5 . 1 1 50 50 MET C C 50 175.456 175.456 175.102 0.354 25706 2023 1 5 . 1 1 50 50 MET CA C 50 55.951 55.951 55.453 0.498 25706 2024 1 5 . 1 1 50 50 MET CB C 50 33.967 33.967 31.555 2.412 25706 2025 1 5 . 1 1 50 50 MET H H 50 8.310 8.310 8.760 -0.450 25706 2026 1 5 . 1 1 51 51 ASP N N 51 122.904 122.904 121.337 1.567 25706 2027 1 5 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.572 0.069 25706 2028 1 5 . 1 1 51 51 ASP C C 51 176.239 176.239 177.053 -0.814 25706 2029 1 5 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.300 -0.789 25706 2030 1 5 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.141 -1.628 25706 2031 1 5 . 1 1 51 51 ASP H H 51 8.506 8.506 8.175 0.331 25706 2032 1 5 . 1 1 52 52 ALA N N 52 123.354 123.354 127.876 -4.522 25706 2033 1 5 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.910 -0.064 25706 2034 1 5 . 1 1 52 52 ALA C C 52 178.517 178.517 179.102 -0.585 25706 2035 1 5 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.453 0.145 25706 2036 1 5 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.923 -0.306 25706 2037 1 5 . 1 1 52 52 ALA H H 52 8.506 8.506 8.905 -0.399 25706 2038 1 5 . 1 1 53 53 LYS N N 53 117.034 117.034 118.976 -1.942 25706 2039 1 5 . 1 1 53 53 LYS HA H 53 3.598 3.598 3.978 -0.380 25706 2040 1 5 . 1 1 53 53 LYS C C 53 179.171 179.171 178.365 0.806 25706 2041 1 5 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.516 0.886 25706 2042 1 5 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.050 0.008 25706 2043 1 5 . 1 1 53 53 LYS H H 53 8.407 8.407 8.736 -0.329 25706 2044 1 5 . 1 1 54 54 GLU N N 54 123.212 123.212 119.395 3.817 25706 2045 1 5 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.141 -0.069 25706 2046 1 5 . 1 1 54 54 GLU C C 54 178.526 178.526 179.048 -0.522 25706 2047 1 5 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.281 0.463 25706 2048 1 5 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.553 -0.215 25706 2049 1 5 . 1 1 54 54 GLU H H 54 8.005 8.005 7.678 0.327 25706 2050 1 5 . 1 1 55 55 ILE N N 55 119.567 119.567 121.401 -1.834 25706 2051 1 5 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.729 -0.300 25706 2052 1 5 . 1 1 55 55 ILE C C 55 177.999 177.999 178.313 -0.314 25706 2053 1 5 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.637 -0.025 25706 2054 1 5 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.929 0.782 25706 2055 1 5 . 1 1 55 55 ILE H H 55 8.088 8.088 8.101 -0.013 25706 2056 1 5 . 1 1 56 56 LEU N N 56 116.646 116.646 119.728 -3.082 25706 2057 1 5 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.174 -0.170 25706 2058 1 5 . 1 1 56 56 LEU C C 56 178.636 178.636 179.413 -0.777 25706 2059 1 5 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.055 0.009 25706 2060 1 5 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.430 2.514 25706 2061 1 5 . 1 1 56 56 LEU H H 56 8.477 8.477 8.606 -0.129 25706 2062 1 5 . 1 1 57 57 THR N N 57 117.148 117.148 116.367 0.781 25706 2063 1 5 . 1 1 57 57 THR HA H 57 3.833 3.833 3.926 -0.093 25706 2064 1 5 . 1 1 57 57 THR C C 57 175.836 175.836 176.872 -1.036 25706 2065 1 5 . 1 1 57 57 THR CA C 57 67.615 67.615 67.319 0.296 25706 2066 1 5 . 1 1 57 57 THR CB C 57 68.860 68.860 68.581 0.280 25706 2067 1 5 . 1 1 57 57 THR H H 57 8.260 8.260 7.891 0.369 25706 2068 1 5 . 1 1 58 58 ARG N N 58 120.818 120.818 121.431 -0.613 25706 2069 1 5 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.040 0.208 25706 2070 1 5 . 1 1 58 58 ARG C C 58 179.476 179.476 178.321 1.155 25706 2071 1 5 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.715 -0.440 25706 2072 1 5 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.166 0.382 25706 2073 1 5 . 1 1 58 58 ARG H H 58 8.202 8.202 8.351 -0.149 25706 2074 1 5 . 1 1 59 59 PHE N N 59 119.668 119.668 121.252 -1.584 25706 2075 1 5 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.498 0.250 25706 2076 1 5 . 1 1 59 59 PHE C C 59 178.260 178.260 177.301 0.959 25706 2077 1 5 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.286 -0.009 25706 2078 1 5 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.240 -0.020 25706 2079 1 5 . 1 1 59 59 PHE H H 59 8.615 8.615 8.486 0.129 25706 2080 1 5 . 1 1 60 60 LYS N N 60 123.687 123.687 118.880 4.807 25706 2081 1 5 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.680 -0.193 25706 2082 1 5 . 1 1 60 60 LYS C C 60 177.801 177.801 178.810 -1.009 25706 2083 1 5 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.164 0.661 25706 2084 1 5 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.392 0.025 25706 2085 1 5 . 1 1 60 60 LYS H H 60 8.800 8.800 8.389 0.411 25706 2086 1 5 . 1 1 61 61 ASP N N 61 116.083 116.083 118.569 -2.486 25706 2087 1 5 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.450 0.143 25706 2088 1 5 . 1 1 61 61 ASP C C 61 177.052 177.052 176.803 0.249 25706 2089 1 5 . 1 1 61 61 ASP CA C 61 54.919 54.919 55.327 -0.408 25706 2090 1 5 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.042 -0.036 25706 2091 1 5 . 1 1 61 61 ASP H H 61 8.107 8.107 7.991 0.116 25706 2092 1 5 . 1 1 62 62 GLY N N 62 107.294 107.294 105.732 1.562 25706 2093 1 5 . 1 1 62 62 GLY C C 62 175.018 175.018 175.551 -0.533 25706 2094 1 5 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.021 0.364 25706 2095 1 5 . 1 1 62 62 GLY H H 62 7.625 7.625 7.320 0.305 25706 2096 1 5 . 1 1 63 63 GLY N N 63 109.718 109.718 107.449 2.269 25706 2097 1 5 . 1 1 63 63 GLY C C 63 173.393 173.393 173.684 -0.291 25706 2098 1 5 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.998 0.739 25706 2099 1 5 . 1 1 63 63 GLY H H 63 8.687 8.687 8.163 0.524 25706 2100 1 5 . 1 1 64 64 LEU N N 64 119.332 119.332 120.944 -1.612 25706 2101 1 5 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.758 -0.040 25706 2102 1 5 . 1 1 64 64 LEU C C 64 175.357 175.357 175.342 0.015 25706 2103 1 5 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.703 0.234 25706 2104 1 5 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.774 1.303 25706 2105 1 5 . 1 1 64 64 LEU H H 64 7.034 7.034 7.475 -0.441 25706 2106 1 5 . 1 1 65 65 ASP N N 65 121.569 121.569 124.697 -3.128 25706 2107 1 5 . 1 1 65 65 ASP HA H 65 4.793 4.793 5.060 -0.267 25706 2108 1 5 . 1 1 65 65 ASP C C 65 175.652 175.652 177.346 -1.694 25706 2109 1 5 . 1 1 65 65 ASP CA C 65 52.877 52.877 53.971 -1.094 25706 2110 1 5 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.585 -0.767 25706 2111 1 5 . 1 1 65 65 ASP H H 65 8.287 8.287 8.677 -0.390 25706 2112 1 5 . 1 1 66 66 ARG N N 66 120.199 120.199 121.956 -1.757 25706 2113 1 5 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.859 -0.104 25706 2114 1 5 . 1 1 66 66 ARG C C 66 177.271 177.271 177.906 -0.635 25706 2115 1 5 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.930 0.634 25706 2116 1 5 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.218 0.631 25706 2117 1 5 . 1 1 66 66 ARG H H 66 8.860 8.860 8.933 -0.073 25706 2118 1 5 . 1 1 67 67 ALA N N 67 120.212 120.212 120.169 0.043 25706 2119 1 5 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.183 -0.099 25706 2120 1 5 . 1 1 67 67 ALA C C 67 181.015 181.015 179.719 1.296 25706 2121 1 5 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.894 0.282 25706 2122 1 5 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.107 -0.266 25706 2123 1 5 . 1 1 67 67 ALA H H 67 8.339 8.339 8.475 -0.136 25706 2124 1 5 . 1 1 68 68 ALA N N 68 122.433 122.433 120.985 1.448 25706 2125 1 5 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.137 0.018 25706 2126 1 5 . 1 1 68 68 ALA C C 68 180.071 180.071 179.444 0.627 25706 2127 1 5 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.411 0.539 25706 2128 1 5 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.206 1.041 25706 2129 1 5 . 1 1 68 68 ALA H H 68 8.184 8.184 7.661 0.523 25706 2130 1 5 . 1 1 69 69 ALA N N 69 119.845 119.845 121.479 -1.634 25706 2131 1 5 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.851 -0.019 25706 2132 1 5 . 1 1 69 69 ALA C C 69 178.826 178.826 179.712 -0.886 25706 2133 1 5 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.079 0.451 25706 2134 1 5 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.776 0.200 25706 2135 1 5 . 1 1 69 69 ALA H H 69 8.511 8.511 8.503 0.008 25706 2136 1 5 . 1 1 70 70 GLN N N 70 116.137 116.137 118.239 -2.102 25706 2137 1 5 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.805 -0.205 25706 2138 1 5 . 1 1 70 70 GLN C C 70 177.832 177.832 178.443 -0.611 25706 2139 1 5 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.961 1.089 25706 2140 1 5 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.562 -0.387 25706 2141 1 5 . 1 1 70 70 GLN H H 70 8.528 8.528 8.152 0.376 25706 2142 1 5 . 1 1 71 71 ALA N N 71 120.118 120.118 123.171 -3.053 25706 2143 1 5 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.969 0.094 25706 2144 1 5 . 1 1 71 71 ALA C C 71 180.495 180.495 179.557 0.938 25706 2145 1 5 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.303 -0.126 25706 2146 1 5 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.535 -0.639 25706 2147 1 5 . 1 1 71 71 ALA H H 71 7.625 7.625 7.811 -0.186 25706 2148 1 5 . 1 1 72 72 LEU N N 72 117.959 117.959 119.233 -1.274 25706 2149 1 5 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.208 -0.035 25706 2150 1 5 . 1 1 72 72 LEU C C 72 180.674 180.674 179.518 1.156 25706 2151 1 5 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.306 0.248 25706 2152 1 5 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.434 1.333 25706 2153 1 5 . 1 1 72 72 LEU H H 72 8.068 8.068 8.325 -0.257 25706 2154 1 5 . 1 1 73 73 LEU N N 73 119.237 119.237 119.562 -0.325 25706 2155 1 5 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.946 0.168 25706 2156 1 5 . 1 1 73 73 LEU C C 73 177.691 177.691 179.547 -1.856 25706 2157 1 5 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.876 -1.151 25706 2158 1 5 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.264 1.325 25706 2159 1 5 . 1 1 73 73 LEU H H 73 8.251 8.251 8.249 0.002 25706 2160 1 5 . 1 1 74 74 ALA N N 74 120.421 120.421 118.501 1.920 25706 2161 1 5 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.221 0.067 25706 2162 1 5 . 1 1 74 74 ALA C C 74 178.222 178.222 177.996 0.226 25706 2163 1 5 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.855 0.007 25706 2164 1 5 . 1 1 74 74 ALA CB C 74 19.198 19.198 18.818 0.380 25706 2165 1 5 . 1 1 74 74 ALA H H 74 7.765 7.765 7.849 -0.084 25706 2166 1 5 . 1 1 75 75 GLY N N 75 106.485 106.485 105.893 0.592 25706 2167 1 5 . 1 1 75 75 GLY C C 75 174.299 174.299 174.836 -0.537 25706 2168 1 5 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.328 0.459 25706 2169 1 5 . 1 1 75 75 GLY H H 75 7.895 7.895 7.518 0.377 25706 2170 1 5 . 1 1 76 76 ARG N N 76 119.703 119.703 119.857 -0.154 25706 2171 1 5 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.601 -0.099 25706 2172 1 5 . 1 1 76 76 ARG C C 76 175.750 175.750 175.756 -0.006 25706 2173 1 5 . 1 1 76 76 ARG CA C 76 55.407 55.407 55.043 0.364 25706 2174 1 5 . 1 1 76 76 ARG CB C 76 31.303 31.303 30.993 0.310 25706 2175 1 5 . 1 1 76 76 ARG H H 76 8.110 8.110 8.283 -0.173 25706 2176 1 5 . 1 1 77 77 THR N N 77 116.771 116.771 112.740 4.031 25706 2177 1 5 . 1 1 77 77 THR HA H 77 4.582 4.582 4.511 0.071 25706 2178 1 5 . 1 1 77 77 THR CA C 77 59.920 59.920 59.742 0.178 25706 2179 1 5 . 1 1 77 77 THR CB C 77 69.810 69.810 68.691 1.119 25706 2180 1 5 . 1 1 77 77 THR H H 77 8.181 8.181 8.201 -0.020 25706 2181 1 5 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.223 0.145 25706 2182 1 5 . 1 1 78 78 PRO C C 78 176.366 176.366 176.150 0.216 25706 2183 1 5 . 1 1 78 78 PRO CA C 78 63.154 63.154 63.037 0.117 25706 2184 1 5 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.077 0.031 25706 2185 1 5 . 1 1 79 79 ALA N N 79 124.715 124.715 125.254 -0.539 25706 2186 1 5 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.580 -0.334 25706 2187 1 5 . 1 1 79 79 ALA C C 79 177.314 177.314 175.675 1.639 25706 2188 1 5 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.628 0.770 25706 2189 1 5 . 1 1 79 79 ALA CB C 79 19.306 19.306 20.704 -1.398 25706 2190 1 5 . 1 1 79 79 ALA H H 79 8.417 8.417 8.027 0.390 25706 2191 1 5 . 1 1 80 80 ALA N N 80 123.467 123.467 121.930 1.537 25706 2192 1 5 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.730 -0.440 25706 2193 1 5 . 1 1 80 80 ALA C C 80 177.000 177.000 176.193 0.807 25706 2194 1 5 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.551 0.459 25706 2195 1 5 . 1 1 80 80 ALA CB C 80 19.447 19.447 20.518 -1.071 25706 2196 1 5 . 1 1 80 80 ALA H H 80 8.232 8.232 7.949 0.283 25706 2197 1 5 . 1 1 81 81 ALA N N 81 125.029 125.029 124.590 0.439 25706 2198 1 5 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.569 -0.007 25706 2199 1 5 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.780 -0.349 25706 2200 1 5 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.849 0.631 25706 2201 1 5 . 1 1 81 81 ALA H H 81 8.250 8.250 8.424 -0.174 25706 2202 1 5 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.485 -0.073 25706 2203 1 5 . 1 1 82 82 PRO C C 82 176.531 176.531 176.328 0.203 25706 2204 1 5 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.650 0.348 25706 2205 1 5 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.441 1.642 25706 2206 1 5 . 1 1 83 83 ARG N N 83 122.956 122.956 123.113 -0.157 25706 2207 1 5 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.436 0.175 25706 2208 1 5 . 1 1 83 83 ARG CA C 83 53.778 53.778 55.092 -1.314 25706 2209 1 5 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.688 0.554 25706 2210 1 5 . 1 1 83 83 ARG H H 83 8.384 8.384 7.901 0.483 25706 2211 1 6 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.508 -0.036 25706 2212 1 6 . 1 1 2 2 PRO C C 2 177.459 177.459 177.016 0.443 25706 2213 1 6 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.721 0.853 25706 2214 1 6 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.462 -0.317 25706 2215 1 6 . 1 1 3 3 GLY N N 3 109.882 109.882 108.883 0.999 25706 2216 1 6 . 1 1 3 3 GLY C C 3 174.103 174.103 173.736 0.367 25706 2217 1 6 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.836 0.436 25706 2218 1 6 . 1 1 3 3 GLY H H 3 8.645 8.645 8.395 0.250 25706 2219 1 6 . 1 1 4 4 SER N N 4 115.534 115.534 115.942 -0.408 25706 2220 1 6 . 1 1 4 4 SER HA H 4 4.438 4.438 4.549 -0.111 25706 2221 1 6 . 1 1 4 4 SER C C 4 174.137 174.137 173.397 0.740 25706 2222 1 6 . 1 1 4 4 SER CA C 4 58.319 58.319 57.599 0.720 25706 2223 1 6 . 1 1 4 4 SER CB C 4 63.864 63.864 64.635 -0.771 25706 2224 1 6 . 1 1 4 4 SER H H 4 8.127 8.127 8.324 -0.197 25706 2225 1 6 . 1 1 5 5 TYR N N 5 122.533 122.533 123.104 -0.571 25706 2226 1 6 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.736 -0.066 25706 2227 1 6 . 1 1 5 5 TYR C C 5 176.109 176.109 175.120 0.989 25706 2228 1 6 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.628 -0.513 25706 2229 1 6 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.160 -0.305 25706 2230 1 6 . 1 1 5 5 TYR H H 5 8.349 8.349 8.483 -0.134 25706 2231 1 6 . 1 1 6 6 THR N N 6 116.290 116.290 119.202 -2.912 25706 2232 1 6 . 1 1 6 6 THR HA H 6 4.305 4.305 4.252 0.053 25706 2233 1 6 . 1 1 6 6 THR C C 6 174.899 174.899 173.025 1.874 25706 2234 1 6 . 1 1 6 6 THR CA C 6 61.743 61.743 60.854 0.889 25706 2235 1 6 . 1 1 6 6 THR CB C 6 69.859 69.859 69.593 0.266 25706 2236 1 6 . 1 1 6 6 THR H H 6 8.177 8.177 7.085 1.092 25706 2237 1 6 . 1 1 7 7 GLY N N 7 110.576 110.576 110.207 0.369 25706 2238 1 6 . 1 1 7 7 GLY C C 7 173.596 173.596 173.287 0.309 25706 2239 1 6 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.943 0.404 25706 2240 1 6 . 1 1 7 7 GLY H H 7 7.646 7.646 8.533 -0.887 25706 2241 1 6 . 1 1 8 8 ALA N N 8 123.499 123.499 123.108 0.391 25706 2242 1 6 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.477 -0.122 25706 2243 1 6 . 1 1 8 8 ALA C C 8 178.119 178.119 177.937 0.182 25706 2244 1 6 . 1 1 8 8 ALA CA C 8 52.547 52.547 51.810 0.737 25706 2245 1 6 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.320 0.067 25706 2246 1 6 . 1 1 8 8 ALA H H 8 8.171 8.171 8.724 -0.553 25706 2247 1 6 . 1 1 9 9 GLY N N 9 108.467 108.467 107.971 0.496 25706 2248 1 6 . 1 1 9 9 GLY C C 9 173.664 173.664 173.509 0.155 25706 2249 1 6 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.466 0.663 25706 2250 1 6 . 1 1 9 9 GLY H H 9 8.398 8.398 7.856 0.542 25706 2251 1 6 . 1 1 10 10 GLU N N 10 121.535 121.535 120.571 0.964 25706 2252 1 6 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.730 -0.132 25706 2253 1 6 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.042 0.210 25706 2254 1 6 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.300 -0.341 25706 2255 1 6 . 1 1 10 10 GLU H H 10 8.230 8.230 8.260 -0.030 25706 2256 1 6 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.505 -0.051 25706 2257 1 6 . 1 1 11 11 PRO C C 11 176.799 176.799 176.296 0.503 25706 2258 1 6 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.513 0.789 25706 2259 1 6 . 1 1 11 11 PRO CB C 11 32.024 32.024 30.737 1.287 25706 2260 1 6 . 1 1 12 12 SER N N 12 117.122 117.122 117.715 -0.593 25706 2261 1 6 . 1 1 12 12 SER HA H 12 4.469 4.469 4.320 0.149 25706 2262 1 6 . 1 1 12 12 SER C C 12 174.904 174.904 176.232 -1.328 25706 2263 1 6 . 1 1 12 12 SER CA C 12 57.876 57.876 57.398 0.478 25706 2264 1 6 . 1 1 12 12 SER CB C 12 64.624 64.624 64.577 0.047 25706 2265 1 6 . 1 1 12 12 SER H H 12 8.721 8.721 8.003 0.718 25706 2266 1 6 . 1 1 13 13 GLN N N 13 121.678 121.678 126.350 -4.672 25706 2267 1 6 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.027 0.093 25706 2268 1 6 . 1 1 13 13 GLN C C 13 178.113 178.113 176.902 1.211 25706 2269 1 6 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.769 -0.912 25706 2270 1 6 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.234 0.508 25706 2271 1 6 . 1 1 13 13 GLN H H 13 8.660 8.660 9.039 -0.379 25706 2272 1 6 . 1 1 14 14 ALA N N 14 122.557 122.557 122.334 0.223 25706 2273 1 6 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.092 0.116 25706 2274 1 6 . 1 1 14 14 ALA C C 14 179.168 179.168 178.987 0.181 25706 2275 1 6 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.776 -0.713 25706 2276 1 6 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.227 0.747 25706 2277 1 6 . 1 1 14 14 ALA H H 14 8.251 8.251 7.828 0.423 25706 2278 1 6 . 1 1 15 15 ASP N N 15 120.191 120.191 119.579 0.612 25706 2279 1 6 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.486 0.009 25706 2280 1 6 . 1 1 15 15 ASP C C 15 178.121 178.121 178.310 -0.189 25706 2281 1 6 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.577 -1.074 25706 2282 1 6 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.952 -0.367 25706 2283 1 6 . 1 1 15 15 ASP H H 15 8.049 8.049 7.533 0.516 25706 2284 1 6 . 1 1 16 16 LEU N N 16 122.661 122.661 120.069 2.592 25706 2285 1 6 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.924 0.079 25706 2286 1 6 . 1 1 16 16 LEU C C 16 178.320 178.320 178.445 -0.125 25706 2287 1 6 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.891 -0.156 25706 2288 1 6 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.892 0.025 25706 2289 1 6 . 1 1 16 16 LEU H H 16 8.258 8.258 8.141 0.117 25706 2290 1 6 . 1 1 17 17 ASP N N 17 119.364 119.364 119.499 -0.135 25706 2291 1 6 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.256 -0.013 25706 2292 1 6 . 1 1 17 17 ASP C C 17 178.534 178.534 178.030 0.504 25706 2293 1 6 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.599 0.495 25706 2294 1 6 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.667 0.788 25706 2295 1 6 . 1 1 17 17 ASP H H 17 8.299 8.299 8.191 0.108 25706 2296 1 6 . 1 1 18 18 ALA N N 18 121.057 121.057 121.638 -0.581 25706 2297 1 6 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.128 -0.003 25706 2298 1 6 . 1 1 18 18 ALA C C 18 180.942 180.942 179.836 1.106 25706 2299 1 6 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.969 -0.022 25706 2300 1 6 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.466 -0.249 25706 2301 1 6 . 1 1 18 18 ALA H H 18 7.851 7.851 7.516 0.335 25706 2302 1 6 . 1 1 19 19 LEU N N 19 122.159 122.159 119.861 2.298 25706 2303 1 6 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.085 -0.110 25706 2304 1 6 . 1 1 19 19 LEU C C 19 178.447 178.447 178.613 -0.166 25706 2305 1 6 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.764 1.050 25706 2306 1 6 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.254 0.119 25706 2307 1 6 . 1 1 19 19 LEU H H 19 7.941 7.941 7.432 0.509 25706 2308 1 6 . 1 1 20 20 LEU N N 20 119.065 119.065 118.902 0.163 25706 2309 1 6 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.922 -0.212 25706 2310 1 6 . 1 1 20 20 LEU C C 20 179.763 179.763 179.196 0.567 25706 2311 1 6 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.513 -0.116 25706 2312 1 6 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.407 -1.541 25706 2313 1 6 . 1 1 20 20 LEU H H 20 8.454 8.454 8.573 -0.119 25706 2314 1 6 . 1 1 21 21 SER N N 21 115.603 115.603 113.931 1.672 25706 2315 1 6 . 1 1 21 21 SER HA H 21 4.199 4.199 4.165 0.034 25706 2316 1 6 . 1 1 21 21 SER C C 21 175.002 175.002 176.234 -1.232 25706 2317 1 6 . 1 1 21 21 SER CA C 21 62.502 62.502 61.438 1.064 25706 2318 1 6 . 1 1 21 21 SER CB C 21 62.806 62.806 62.994 -0.188 25706 2319 1 6 . 1 1 21 21 SER H H 21 8.248 8.248 8.504 -0.256 25706 2320 1 6 . 1 1 22 22 ALA N N 22 123.437 123.437 123.476 -0.039 25706 2321 1 6 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.162 -0.096 25706 2322 1 6 . 1 1 22 22 ALA C C 22 180.273 180.273 178.774 1.499 25706 2323 1 6 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.864 0.623 25706 2324 1 6 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.358 -0.127 25706 2325 1 6 . 1 1 22 22 ALA H H 22 7.982 7.982 7.530 0.452 25706 2326 1 6 . 1 1 23 23 VAL N N 23 119.580 119.580 119.355 0.225 25706 2327 1 6 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.257 -0.024 25706 2328 1 6 . 1 1 23 23 VAL C C 23 180.144 180.144 178.355 1.789 25706 2329 1 6 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.499 0.975 25706 2330 1 6 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.402 0.809 25706 2331 1 6 . 1 1 23 23 VAL H H 23 8.382 8.382 7.741 0.641 25706 2332 1 6 . 1 1 24 24 ARG N N 24 122.585 122.585 121.369 1.216 25706 2333 1 6 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.092 -0.171 25706 2334 1 6 . 1 1 24 24 ARG C C 24 177.169 177.169 177.521 -0.352 25706 2335 1 6 . 1 1 24 24 ARG CA C 24 59.514 59.514 57.806 1.708 25706 2336 1 6 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.015 -0.120 25706 2337 1 6 . 1 1 24 24 ARG H H 24 8.589 8.589 8.499 0.090 25706 2338 1 6 . 1 1 25 25 ASP N N 25 115.538 115.538 117.566 -2.028 25706 2339 1 6 . 1 1 25 25 ASP C C 25 175.579 175.579 175.598 -0.019 25706 2340 1 6 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.593 0.760 25706 2341 1 6 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.095 0.620 25706 2342 1 6 . 1 1 25 25 ASP H H 25 8.083 8.083 7.866 0.217 25706 2343 1 6 . 1 1 26 26 ASN N N 26 113.668 113.668 116.551 -2.883 25706 2344 1 6 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.383 0.109 25706 2345 1 6 . 1 1 26 26 ASN C C 26 174.953 174.953 175.519 -0.566 25706 2346 1 6 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.363 0.860 25706 2347 1 6 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.711 -0.260 25706 2348 1 6 . 1 1 26 26 ASN H H 26 7.860 7.860 7.986 -0.126 25706 2349 1 6 . 1 1 27 27 ARG N N 27 117.078 117.078 116.600 0.478 25706 2350 1 6 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.315 -0.012 25706 2351 1 6 . 1 1 27 27 ARG C C 27 176.011 176.011 176.502 -0.491 25706 2352 1 6 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.176 1.406 25706 2353 1 6 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.855 0.519 25706 2354 1 6 . 1 1 27 27 ARG H H 27 8.700 8.700 8.435 0.265 25706 2355 1 6 . 1 1 28 28 LEU N N 28 119.538 119.538 120.539 -1.001 25706 2356 1 6 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.742 -0.116 25706 2357 1 6 . 1 1 28 28 LEU C C 28 175.563 175.563 175.598 -0.035 25706 2358 1 6 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.860 0.543 25706 2359 1 6 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.279 1.441 25706 2360 1 6 . 1 1 28 28 LEU H H 28 7.101 7.101 7.631 -0.530 25706 2361 1 6 . 1 1 29 29 SER N N 29 119.714 119.714 119.727 -0.013 25706 2362 1 6 . 1 1 29 29 SER HA H 29 4.512 4.512 4.761 -0.249 25706 2363 1 6 . 1 1 29 29 SER C C 29 174.769 174.769 175.817 -1.048 25706 2364 1 6 . 1 1 29 29 SER CA C 29 56.883 56.883 56.982 -0.099 25706 2365 1 6 . 1 1 29 29 SER CB C 29 65.067 65.067 64.757 0.310 25706 2366 1 6 . 1 1 29 29 SER H H 29 8.885 8.885 8.866 0.019 25706 2367 1 6 . 1 1 30 30 ILE N N 30 121.990 121.990 123.854 -1.864 25706 2368 1 6 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.732 -0.168 25706 2369 1 6 . 1 1 30 30 ILE C C 30 177.419 177.419 177.707 -0.288 25706 2370 1 6 . 1 1 30 30 ILE CA C 30 65.706 65.706 65.027 0.679 25706 2371 1 6 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.125 0.007 25706 2372 1 6 . 1 1 30 30 ILE H H 30 8.953 8.953 8.828 0.125 25706 2373 1 6 . 1 1 31 31 GLU N N 31 117.222 117.222 118.649 -1.427 25706 2374 1 6 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.153 -0.290 25706 2375 1 6 . 1 1 31 31 GLU C C 31 179.559 179.559 179.211 0.348 25706 2376 1 6 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.422 1.091 25706 2377 1 6 . 1 1 31 31 GLU CB C 31 29.046 29.046 28.545 0.501 25706 2378 1 6 . 1 1 31 31 GLU H H 31 8.669 8.669 8.743 -0.074 25706 2379 1 6 . 1 1 32 32 GLN N N 32 118.595 118.595 119.343 -0.748 25706 2380 1 6 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.134 -0.089 25706 2381 1 6 . 1 1 32 32 GLN C C 32 179.113 179.113 178.140 0.973 25706 2382 1 6 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.794 -0.293 25706 2383 1 6 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.416 0.870 25706 2384 1 6 . 1 1 32 32 GLN H H 32 7.949 7.949 8.374 -0.425 25706 2385 1 6 . 1 1 33 33 ALA N N 33 123.062 123.062 121.936 1.126 25706 2386 1 6 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.125 -0.212 25706 2387 1 6 . 1 1 33 33 ALA C C 33 178.918 178.918 179.906 -0.988 25706 2388 1 6 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.959 0.579 25706 2389 1 6 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.378 0.768 25706 2390 1 6 . 1 1 33 33 ALA H H 33 8.520 8.520 8.295 0.225 25706 2391 1 6 . 1 1 34 34 VAL N N 34 115.551 115.551 118.240 -2.689 25706 2392 1 6 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.722 -0.339 25706 2393 1 6 . 1 1 34 34 VAL C C 34 179.013 179.013 177.973 1.040 25706 2394 1 6 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.782 0.249 25706 2395 1 6 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.584 -0.009 25706 2396 1 6 . 1 1 34 34 VAL H H 34 8.469 8.469 7.730 0.739 25706 2397 1 6 . 1 1 35 35 THR N N 35 114.806 114.806 115.661 -0.855 25706 2398 1 6 . 1 1 35 35 THR HA H 35 4.012 4.012 4.129 -0.117 25706 2399 1 6 . 1 1 35 35 THR C C 35 176.151 176.151 175.780 0.371 25706 2400 1 6 . 1 1 35 35 THR CA C 35 65.944 65.944 65.989 -0.045 25706 2401 1 6 . 1 1 35 35 THR CB C 35 68.902 68.902 68.879 0.023 25706 2402 1 6 . 1 1 35 35 THR H H 35 7.598 7.598 7.927 -0.329 25706 2403 1 6 . 1 1 36 36 LEU N N 36 120.922 120.922 118.884 2.038 25706 2404 1 6 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.216 -0.033 25706 2405 1 6 . 1 1 36 36 LEU C C 36 177.940 177.940 178.392 -0.452 25706 2406 1 6 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.530 0.080 25706 2407 1 6 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.919 0.359 25706 2408 1 6 . 1 1 36 36 LEU H H 36 7.516 7.516 8.210 -0.694 25706 2409 1 6 . 1 1 37 37 LEU N N 37 118.066 118.066 119.799 -1.733 25706 2410 1 6 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.303 0.034 25706 2411 1 6 . 1 1 37 37 LEU C C 37 177.013 177.013 177.465 -0.452 25706 2412 1 6 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.686 -1.809 25706 2413 1 6 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.903 0.118 25706 2414 1 6 . 1 1 37 37 LEU H H 37 7.444 7.444 7.573 -0.129 25706 2415 1 6 . 1 1 38 38 THR N N 38 116.689 116.689 116.438 0.251 25706 2416 1 6 . 1 1 38 38 THR HA H 38 4.469 4.469 4.670 -0.201 25706 2417 1 6 . 1 1 38 38 THR CA C 38 61.736 61.736 60.732 1.004 25706 2418 1 6 . 1 1 38 38 THR CB C 38 69.544 69.544 68.628 0.916 25706 2419 1 6 . 1 1 38 38 THR H H 38 7.925 7.925 7.833 0.092 25706 2420 1 6 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.741 -0.268 25706 2421 1 6 . 1 1 39 39 PRO C C 39 177.055 177.055 177.606 -0.551 25706 2422 1 6 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.748 0.757 25706 2423 1 6 . 1 1 39 39 PRO CB C 39 32.140 32.140 33.528 -1.388 25706 2424 1 6 . 1 1 40 40 ARG N N 40 120.701 120.701 120.716 -0.015 25706 2425 1 6 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.298 0.009 25706 2426 1 6 . 1 1 40 40 ARG C C 40 176.527 176.527 177.499 -0.972 25706 2427 1 6 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.961 -0.654 25706 2428 1 6 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.461 0.336 25706 2429 1 6 . 1 1 40 40 ARG H H 40 8.384 8.384 8.707 -0.323 25706 2430 1 6 . 1 1 41 41 ARG N N 41 121.467 121.467 120.876 0.591 25706 2431 1 6 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.424 -0.043 25706 2432 1 6 . 1 1 41 41 ARG C C 41 176.791 176.791 176.714 0.077 25706 2433 1 6 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.204 0.023 25706 2434 1 6 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.613 0.256 25706 2435 1 6 . 1 1 41 41 ARG H H 41 8.367 8.367 7.842 0.525 25706 2436 1 6 . 1 1 42 42 GLY N N 42 110.418 110.418 111.269 -0.851 25706 2437 1 6 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.792 0.555 25706 2438 1 6 . 1 1 42 42 GLY H H 42 8.538 8.538 8.756 -0.218 25706 2439 1 6 . 1 1 44 44 GLY C C 44 174.487 174.487 174.966 -0.479 25706 2440 1 6 . 1 1 45 45 SER N N 45 115.788 115.788 115.698 0.090 25706 2441 1 6 . 1 1 45 45 SER HA H 45 4.515 4.515 4.369 0.146 25706 2442 1 6 . 1 1 45 45 SER C C 45 175.337 175.337 175.011 0.326 25706 2443 1 6 . 1 1 45 45 SER CA C 45 58.590 58.590 59.289 -0.699 25706 2444 1 6 . 1 1 45 45 SER CB C 45 63.920 63.920 63.887 0.033 25706 2445 1 6 . 1 1 45 45 SER H H 45 8.422 8.422 7.816 0.606 25706 2446 1 6 . 1 1 46 46 GLY N N 46 111.003 111.003 109.782 1.221 25706 2447 1 6 . 1 1 46 46 GLY C C 46 174.837 174.837 173.557 1.280 25706 2448 1 6 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.475 1.022 25706 2449 1 6 . 1 1 46 46 GLY H H 46 8.600 8.600 8.163 0.437 25706 2450 1 6 . 1 1 47 47 GLY N N 47 108.933 108.933 109.418 -0.485 25706 2451 1 6 . 1 1 47 47 GLY C C 47 174.864 174.864 174.753 0.111 25706 2452 1 6 . 1 1 47 47 GLY H H 47 8.398 8.398 8.642 -0.244 25706 2453 1 6 . 1 1 48 48 GLY N N 48 108.905 108.905 106.838 2.067 25706 2454 1 6 . 1 1 48 48 GLY C C 48 174.496 174.496 173.945 0.551 25706 2455 1 6 . 1 1 48 48 GLY H H 48 8.418 8.418 8.229 0.189 25706 2456 1 6 . 1 1 49 49 SER N N 49 115.575 115.575 116.025 -0.450 25706 2457 1 6 . 1 1 49 49 SER HA H 49 4.439 4.439 4.318 0.121 25706 2458 1 6 . 1 1 49 49 SER C C 49 174.539 174.539 174.180 0.359 25706 2459 1 6 . 1 1 49 49 SER CA C 49 58.826 58.826 58.707 0.119 25706 2460 1 6 . 1 1 49 49 SER CB C 49 64.100 64.100 63.576 0.524 25706 2461 1 6 . 1 1 49 49 SER H H 49 8.292 8.292 8.268 0.024 25706 2462 1 6 . 1 1 50 50 MET N N 50 121.907 121.907 120.384 1.523 25706 2463 1 6 . 1 1 50 50 MET HA H 50 4.445 4.445 4.118 0.327 25706 2464 1 6 . 1 1 50 50 MET C C 50 175.456 175.456 175.124 0.332 25706 2465 1 6 . 1 1 50 50 MET CA C 50 55.951 55.951 55.576 0.375 25706 2466 1 6 . 1 1 50 50 MET CB C 50 33.967 33.967 30.686 3.281 25706 2467 1 6 . 1 1 50 50 MET H H 50 8.310 8.310 8.691 -0.381 25706 2468 1 6 . 1 1 51 51 ASP N N 51 122.904 122.904 120.192 2.712 25706 2469 1 6 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.666 -0.025 25706 2470 1 6 . 1 1 51 51 ASP C C 51 176.239 176.239 177.333 -1.094 25706 2471 1 6 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.718 -0.206 25706 2472 1 6 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.629 -2.116 25706 2473 1 6 . 1 1 51 51 ASP H H 51 8.506 8.506 8.068 0.438 25706 2474 1 6 . 1 1 52 52 ALA N N 52 123.354 123.354 127.646 -4.292 25706 2475 1 6 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.939 -0.093 25706 2476 1 6 . 1 1 52 52 ALA C C 52 178.517 178.517 179.290 -0.773 25706 2477 1 6 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.138 0.460 25706 2478 1 6 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.699 -0.082 25706 2479 1 6 . 1 1 52 52 ALA H H 52 8.506 8.506 8.673 -0.167 25706 2480 1 6 . 1 1 53 53 LYS N N 53 117.034 117.034 118.000 -0.966 25706 2481 1 6 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.016 -0.418 25706 2482 1 6 . 1 1 53 53 LYS C C 53 179.171 179.171 178.797 0.374 25706 2483 1 6 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.541 0.861 25706 2484 1 6 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.158 -0.101 25706 2485 1 6 . 1 1 53 53 LYS H H 53 8.407 8.407 8.329 0.078 25706 2486 1 6 . 1 1 54 54 GLU N N 54 123.212 123.212 119.799 3.413 25706 2487 1 6 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.133 -0.060 25706 2488 1 6 . 1 1 54 54 GLU C C 54 178.526 178.526 179.047 -0.521 25706 2489 1 6 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.033 0.710 25706 2490 1 6 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.096 0.242 25706 2491 1 6 . 1 1 54 54 GLU H H 54 8.005 8.005 8.143 -0.138 25706 2492 1 6 . 1 1 55 55 ILE N N 55 119.567 119.567 120.924 -1.357 25706 2493 1 6 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.718 -0.289 25706 2494 1 6 . 1 1 55 55 ILE C C 55 177.999 177.999 178.233 -0.234 25706 2495 1 6 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.702 -0.090 25706 2496 1 6 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.867 0.844 25706 2497 1 6 . 1 1 55 55 ILE H H 55 8.088 8.088 8.322 -0.234 25706 2498 1 6 . 1 1 56 56 LEU N N 56 116.646 116.646 120.181 -3.535 25706 2499 1 6 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.207 -0.203 25706 2500 1 6 . 1 1 56 56 LEU C C 56 178.636 178.636 179.539 -0.903 25706 2501 1 6 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.119 -0.055 25706 2502 1 6 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.380 2.564 25706 2503 1 6 . 1 1 56 56 LEU H H 56 8.477 8.477 8.532 -0.055 25706 2504 1 6 . 1 1 57 57 THR N N 57 117.148 117.148 116.151 0.997 25706 2505 1 6 . 1 1 57 57 THR HA H 57 3.833 3.833 3.988 -0.155 25706 2506 1 6 . 1 1 57 57 THR C C 57 175.836 175.836 176.952 -1.116 25706 2507 1 6 . 1 1 57 57 THR CA C 57 67.615 67.615 67.232 0.383 25706 2508 1 6 . 1 1 57 57 THR CB C 57 68.860 68.860 68.506 0.354 25706 2509 1 6 . 1 1 57 57 THR H H 57 8.260 8.260 8.519 -0.259 25706 2510 1 6 . 1 1 58 58 ARG N N 58 120.818 120.818 121.455 -0.637 25706 2511 1 6 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.064 0.184 25706 2512 1 6 . 1 1 58 58 ARG C C 58 179.476 179.476 178.339 1.137 25706 2513 1 6 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.530 -0.255 25706 2514 1 6 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.160 0.388 25706 2515 1 6 . 1 1 58 58 ARG H H 58 8.202 8.202 8.118 0.084 25706 2516 1 6 . 1 1 59 59 PHE N N 59 119.668 119.668 121.879 -2.211 25706 2517 1 6 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.545 0.203 25706 2518 1 6 . 1 1 59 59 PHE C C 59 178.260 178.260 177.403 0.857 25706 2519 1 6 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.233 0.044 25706 2520 1 6 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.188 0.032 25706 2521 1 6 . 1 1 59 59 PHE H H 59 8.615 8.615 8.635 -0.020 25706 2522 1 6 . 1 1 60 60 LYS N N 60 123.687 123.687 118.666 5.021 25706 2523 1 6 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.678 -0.191 25706 2524 1 6 . 1 1 60 60 LYS C C 60 177.801 177.801 178.170 -0.369 25706 2525 1 6 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.933 0.892 25706 2526 1 6 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.236 0.180 25706 2527 1 6 . 1 1 60 60 LYS H H 60 8.800 8.800 8.316 0.484 25706 2528 1 6 . 1 1 61 61 ASP N N 61 116.083 116.083 116.536 -0.453 25706 2529 1 6 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.525 0.068 25706 2530 1 6 . 1 1 61 61 ASP C C 61 177.052 177.052 176.629 0.423 25706 2531 1 6 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.236 0.683 25706 2532 1 6 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.214 -0.207 25706 2533 1 6 . 1 1 61 61 ASP H H 61 8.107 8.107 7.825 0.282 25706 2534 1 6 . 1 1 62 62 GLY N N 62 107.294 107.294 106.072 1.222 25706 2535 1 6 . 1 1 62 62 GLY C C 62 175.018 175.018 175.720 -0.702 25706 2536 1 6 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.098 0.287 25706 2537 1 6 . 1 1 62 62 GLY H H 62 7.625 7.625 7.447 0.178 25706 2538 1 6 . 1 1 63 63 GLY N N 63 109.718 109.718 108.680 1.038 25706 2539 1 6 . 1 1 63 63 GLY C C 63 173.393 173.393 174.100 -0.707 25706 2540 1 6 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.940 0.797 25706 2541 1 6 . 1 1 63 63 GLY H H 63 8.687 8.687 8.208 0.479 25706 2542 1 6 . 1 1 64 64 LEU N N 64 119.332 119.332 120.001 -0.669 25706 2543 1 6 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.794 -0.076 25706 2544 1 6 . 1 1 64 64 LEU C C 64 175.357 175.357 175.151 0.206 25706 2545 1 6 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.081 -0.144 25706 2546 1 6 . 1 1 64 64 LEU CB C 64 47.077 47.077 46.055 1.022 25706 2547 1 6 . 1 1 64 64 LEU H H 64 7.034 7.034 7.300 -0.266 25706 2548 1 6 . 1 1 65 65 ASP N N 65 121.569 121.569 124.030 -2.461 25706 2549 1 6 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.996 -0.203 25706 2550 1 6 . 1 1 65 65 ASP C C 65 175.652 175.652 177.173 -1.521 25706 2551 1 6 . 1 1 65 65 ASP CA C 65 52.877 52.877 53.533 -0.656 25706 2552 1 6 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.836 -1.018 25706 2553 1 6 . 1 1 65 65 ASP H H 65 8.287 8.287 8.745 -0.458 25706 2554 1 6 . 1 1 66 66 ARG N N 66 120.199 120.199 122.704 -2.505 25706 2555 1 6 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.813 -0.058 25706 2556 1 6 . 1 1 66 66 ARG C C 66 177.271 177.271 177.943 -0.672 25706 2557 1 6 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.790 0.774 25706 2558 1 6 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.287 0.562 25706 2559 1 6 . 1 1 66 66 ARG H H 66 8.860 8.860 8.898 -0.038 25706 2560 1 6 . 1 1 67 67 ALA N N 67 120.212 120.212 118.873 1.339 25706 2561 1 6 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.239 -0.155 25706 2562 1 6 . 1 1 67 67 ALA C C 67 181.015 181.015 179.093 1.922 25706 2563 1 6 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.522 0.654 25706 2564 1 6 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.284 -0.443 25706 2565 1 6 . 1 1 67 67 ALA H H 67 8.339 8.339 8.517 -0.178 25706 2566 1 6 . 1 1 68 68 ALA N N 68 122.433 122.433 121.072 1.361 25706 2567 1 6 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.237 -0.082 25706 2568 1 6 . 1 1 68 68 ALA C C 68 180.071 180.071 179.245 0.826 25706 2569 1 6 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.248 0.702 25706 2570 1 6 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.638 0.609 25706 2571 1 6 . 1 1 68 68 ALA H H 68 8.184 8.184 7.325 0.859 25706 2572 1 6 . 1 1 69 69 ALA N N 69 119.845 119.845 121.776 -1.931 25706 2573 1 6 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.851 -0.019 25706 2574 1 6 . 1 1 69 69 ALA C C 69 178.826 178.826 179.650 -0.824 25706 2575 1 6 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.157 0.373 25706 2576 1 6 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.842 0.135 25706 2577 1 6 . 1 1 69 69 ALA H H 69 8.511 8.511 8.442 0.069 25706 2578 1 6 . 1 1 70 70 GLN N N 70 116.137 116.137 117.621 -1.484 25706 2579 1 6 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.827 -0.227 25706 2580 1 6 . 1 1 70 70 GLN C C 70 177.832 177.832 178.321 -0.489 25706 2581 1 6 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.939 1.111 25706 2582 1 6 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.473 -0.298 25706 2583 1 6 . 1 1 70 70 GLN H H 70 8.528 8.528 8.294 0.234 25706 2584 1 6 . 1 1 71 71 ALA N N 71 120.118 120.118 123.020 -2.902 25706 2585 1 6 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.010 0.053 25706 2586 1 6 . 1 1 71 71 ALA C C 71 180.495 180.495 179.485 1.010 25706 2587 1 6 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.107 0.071 25706 2588 1 6 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.470 -0.574 25706 2589 1 6 . 1 1 71 71 ALA H H 71 7.625 7.625 7.468 0.157 25706 2590 1 6 . 1 1 72 72 LEU N N 72 117.959 117.959 118.775 -0.816 25706 2591 1 6 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.091 0.082 25706 2592 1 6 . 1 1 72 72 LEU C C 72 180.674 180.674 179.656 1.018 25706 2593 1 6 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.196 0.358 25706 2594 1 6 . 1 1 72 72 LEU CB C 72 42.767 42.767 42.007 0.760 25706 2595 1 6 . 1 1 72 72 LEU H H 72 8.068 8.068 8.001 0.067 25706 2596 1 6 . 1 1 73 73 LEU N N 73 119.237 119.237 118.693 0.544 25706 2597 1 6 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.037 0.077 25706 2598 1 6 . 1 1 73 73 LEU C C 73 177.691 177.691 178.830 -1.139 25706 2599 1 6 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.219 -0.495 25706 2600 1 6 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.913 0.676 25706 2601 1 6 . 1 1 73 73 LEU H H 73 8.251 8.251 8.155 0.096 25706 2602 1 6 . 1 1 74 74 ALA N N 74 120.421 120.421 119.192 1.229 25706 2603 1 6 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.385 -0.097 25706 2604 1 6 . 1 1 74 74 ALA C C 74 178.222 178.222 177.702 0.520 25706 2605 1 6 . 1 1 74 74 ALA CA C 74 52.861 52.861 51.927 0.934 25706 2606 1 6 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.102 0.096 25706 2607 1 6 . 1 1 74 74 ALA H H 74 7.765 7.765 7.788 -0.023 25706 2608 1 6 . 1 1 75 75 GLY N N 75 106.485 106.485 106.774 -0.289 25706 2609 1 6 . 1 1 75 75 GLY C C 75 174.299 174.299 174.283 0.016 25706 2610 1 6 . 1 1 75 75 GLY CA C 75 45.787 45.787 44.960 0.827 25706 2611 1 6 . 1 1 75 75 GLY H H 75 7.895 7.895 7.647 0.247 25706 2612 1 6 . 1 1 76 76 ARG N N 76 119.703 119.703 117.948 1.755 25706 2613 1 6 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.842 -0.340 25706 2614 1 6 . 1 1 76 76 ARG C C 76 175.750 175.750 174.717 1.033 25706 2615 1 6 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.662 1.745 25706 2616 1 6 . 1 1 76 76 ARG CB C 76 31.303 31.303 31.793 -0.490 25706 2617 1 6 . 1 1 76 76 ARG H H 76 8.110 8.110 8.242 -0.132 25706 2618 1 6 . 1 1 77 77 THR N N 77 116.771 116.771 112.449 4.322 25706 2619 1 6 . 1 1 77 77 THR HA H 77 4.582 4.582 4.462 0.120 25706 2620 1 6 . 1 1 77 77 THR CA C 77 59.920 59.920 59.754 0.166 25706 2621 1 6 . 1 1 77 77 THR CB C 77 69.810 69.810 67.951 1.859 25706 2622 1 6 . 1 1 77 77 THR H H 77 8.181 8.181 8.277 -0.096 25706 2623 1 6 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.030 0.338 25706 2624 1 6 . 1 1 78 78 PRO C C 78 176.366 176.366 177.453 -1.087 25706 2625 1 6 . 1 1 78 78 PRO CA C 78 63.154 63.154 64.272 -1.118 25706 2626 1 6 . 1 1 78 78 PRO CB C 78 32.108 32.108 31.448 0.660 25706 2627 1 6 . 1 1 79 79 ALA N N 79 124.715 124.715 123.177 1.538 25706 2628 1 6 . 1 1 79 79 ALA HA H 79 4.246 4.246 3.815 0.431 25706 2629 1 6 . 1 1 79 79 ALA C C 79 177.314 177.314 176.450 0.864 25706 2630 1 6 . 1 1 79 79 ALA CA C 79 52.398 52.398 53.160 -0.762 25706 2631 1 6 . 1 1 79 79 ALA CB C 79 19.306 19.306 17.686 1.620 25706 2632 1 6 . 1 1 79 79 ALA H H 79 8.417 8.417 8.549 -0.132 25706 2633 1 6 . 1 1 80 80 ALA N N 80 123.467 123.467 119.530 3.937 25706 2634 1 6 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.665 -0.375 25706 2635 1 6 . 1 1 80 80 ALA C C 80 177.000 177.000 175.006 1.994 25706 2636 1 6 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.299 0.711 25706 2637 1 6 . 1 1 80 80 ALA CB C 80 19.447 19.447 21.584 -2.137 25706 2638 1 6 . 1 1 80 80 ALA H H 80 8.232 8.232 7.732 0.500 25706 2639 1 6 . 1 1 81 81 ALA N N 81 125.029 125.029 122.107 2.922 25706 2640 1 6 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.834 -0.272 25706 2641 1 6 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.156 0.275 25706 2642 1 6 . 1 1 81 81 ALA CB C 81 19.480 19.480 20.444 -0.964 25706 2643 1 6 . 1 1 81 81 ALA H H 81 8.250 8.250 8.234 0.016 25706 2644 1 6 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.555 -0.143 25706 2645 1 6 . 1 1 82 82 PRO C C 82 176.531 176.531 176.121 0.410 25706 2646 1 6 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.259 -0.261 25706 2647 1 6 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.957 0.126 25706 2648 1 6 . 1 1 83 83 ARG N N 83 122.956 122.956 120.660 2.296 25706 2649 1 6 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.726 -0.115 25706 2650 1 6 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.118 -0.340 25706 2651 1 6 . 1 1 83 83 ARG CB C 83 30.242 30.242 31.964 -1.722 25706 2652 1 6 . 1 1 83 83 ARG H H 83 8.384 8.384 8.097 0.287 25706 2653 1 7 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.901 -0.429 25706 2654 1 7 . 1 1 2 2 PRO C C 2 177.459 177.459 177.564 -0.105 25706 2655 1 7 . 1 1 2 2 PRO CA C 2 63.574 63.574 64.697 -1.123 25706 2656 1 7 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.208 -0.062 25706 2657 1 7 . 1 1 3 3 GLY N N 3 109.882 109.882 110.212 -0.330 25706 2658 1 7 . 1 1 3 3 GLY C C 3 174.103 174.103 174.295 -0.192 25706 2659 1 7 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.484 0.788 25706 2660 1 7 . 1 1 3 3 GLY H H 3 8.645 8.645 8.335 0.310 25706 2661 1 7 . 1 1 4 4 SER N N 4 115.534 115.534 114.498 1.036 25706 2662 1 7 . 1 1 4 4 SER HA H 4 4.438 4.438 4.126 0.312 25706 2663 1 7 . 1 1 4 4 SER C C 4 174.137 174.137 173.097 1.040 25706 2664 1 7 . 1 1 4 4 SER CA C 4 58.319 58.319 59.664 -1.345 25706 2665 1 7 . 1 1 4 4 SER CB C 4 63.864 63.864 62.887 0.977 25706 2666 1 7 . 1 1 4 4 SER H H 4 8.127 8.127 8.486 -0.359 25706 2667 1 7 . 1 1 5 5 TYR N N 5 122.533 122.533 119.239 3.294 25706 2668 1 7 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.646 0.024 25706 2669 1 7 . 1 1 5 5 TYR C C 5 176.109 176.109 175.659 0.450 25706 2670 1 7 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.203 -0.088 25706 2671 1 7 . 1 1 5 5 TYR CB C 5 38.855 38.855 41.019 -2.164 25706 2672 1 7 . 1 1 5 5 TYR H H 5 8.349 8.349 7.672 0.677 25706 2673 1 7 . 1 1 6 6 THR N N 6 116.290 116.290 113.198 3.092 25706 2674 1 7 . 1 1 6 6 THR HA H 6 4.305 4.305 3.900 0.405 25706 2675 1 7 . 1 1 6 6 THR C C 6 174.899 174.899 175.650 -0.751 25706 2676 1 7 . 1 1 6 6 THR CA C 6 61.743 61.743 63.454 -1.711 25706 2677 1 7 . 1 1 6 6 THR CB C 6 69.859 69.859 67.405 2.454 25706 2678 1 7 . 1 1 6 6 THR H H 6 8.177 8.177 8.958 -0.781 25706 2679 1 7 . 1 1 7 7 GLY N N 7 110.576 110.576 107.866 2.710 25706 2680 1 7 . 1 1 7 7 GLY C C 7 173.596 173.596 174.943 -1.347 25706 2681 1 7 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.124 0.223 25706 2682 1 7 . 1 1 7 7 GLY H H 7 7.646 7.646 8.547 -0.901 25706 2683 1 7 . 1 1 8 8 ALA N N 8 123.499 123.499 126.530 -3.031 25706 2684 1 7 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.408 -0.053 25706 2685 1 7 . 1 1 8 8 ALA C C 8 178.119 178.119 178.209 -0.090 25706 2686 1 7 . 1 1 8 8 ALA CA C 8 52.547 52.547 53.438 -0.891 25706 2687 1 7 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.368 0.019 25706 2688 1 7 . 1 1 8 8 ALA H H 8 8.171 8.171 7.845 0.326 25706 2689 1 7 . 1 1 9 9 GLY N N 9 108.467 108.467 106.899 1.568 25706 2690 1 7 . 1 1 9 9 GLY C C 9 173.664 173.664 172.003 1.661 25706 2691 1 7 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.293 0.836 25706 2692 1 7 . 1 1 9 9 GLY H H 9 8.398 8.398 7.974 0.424 25706 2693 1 7 . 1 1 10 10 GLU N N 10 121.535 121.535 117.287 4.248 25706 2694 1 7 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.681 -0.083 25706 2695 1 7 . 1 1 10 10 GLU CA C 10 54.252 54.252 53.137 1.115 25706 2696 1 7 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.629 -0.670 25706 2697 1 7 . 1 1 10 10 GLU H H 10 8.230 8.230 8.391 -0.161 25706 2698 1 7 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.464 -0.010 25706 2699 1 7 . 1 1 11 11 PRO C C 11 176.799 176.799 176.569 0.230 25706 2700 1 7 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.649 0.653 25706 2701 1 7 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.335 -0.311 25706 2702 1 7 . 1 1 12 12 SER N N 12 117.122 117.122 116.559 0.563 25706 2703 1 7 . 1 1 12 12 SER HA H 12 4.469 4.469 4.416 0.053 25706 2704 1 7 . 1 1 12 12 SER C C 12 174.904 174.904 176.195 -1.291 25706 2705 1 7 . 1 1 12 12 SER CA C 12 57.876 57.876 58.368 -0.492 25706 2706 1 7 . 1 1 12 12 SER CB C 12 64.624 64.624 63.831 0.792 25706 2707 1 7 . 1 1 12 12 SER H H 12 8.721 8.721 8.336 0.385 25706 2708 1 7 . 1 1 13 13 GLN N N 13 121.678 121.678 126.249 -4.571 25706 2709 1 7 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.093 0.027 25706 2710 1 7 . 1 1 13 13 GLN C C 13 178.113 178.113 177.259 0.854 25706 2711 1 7 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.456 -0.599 25706 2712 1 7 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.412 0.330 25706 2713 1 7 . 1 1 13 13 GLN H H 13 8.660 8.660 9.001 -0.341 25706 2714 1 7 . 1 1 14 14 ALA N N 14 122.557 122.557 122.247 0.310 25706 2715 1 7 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.136 0.072 25706 2716 1 7 . 1 1 14 14 ALA C C 14 179.168 179.168 179.208 -0.040 25706 2717 1 7 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.693 -0.630 25706 2718 1 7 . 1 1 14 14 ALA CB C 14 18.974 18.974 17.872 1.102 25706 2719 1 7 . 1 1 14 14 ALA H H 14 8.251 8.251 8.395 -0.144 25706 2720 1 7 . 1 1 15 15 ASP N N 15 120.191 120.191 119.496 0.695 25706 2721 1 7 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.449 0.046 25706 2722 1 7 . 1 1 15 15 ASP C C 15 178.121 178.121 178.302 -0.181 25706 2723 1 7 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.717 -1.214 25706 2724 1 7 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.928 -0.343 25706 2725 1 7 . 1 1 15 15 ASP H H 15 8.049 8.049 7.659 0.390 25706 2726 1 7 . 1 1 16 16 LEU N N 16 122.661 122.661 120.222 2.439 25706 2727 1 7 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.884 0.119 25706 2728 1 7 . 1 1 16 16 LEU C C 16 178.320 178.320 178.469 -0.149 25706 2729 1 7 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.004 -0.269 25706 2730 1 7 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.921 -0.004 25706 2731 1 7 . 1 1 16 16 LEU H H 16 8.258 8.258 7.517 0.741 25706 2732 1 7 . 1 1 17 17 ASP N N 17 119.364 119.364 118.827 0.537 25706 2733 1 7 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.216 0.027 25706 2734 1 7 . 1 1 17 17 ASP C C 17 178.534 178.534 177.833 0.701 25706 2735 1 7 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.487 0.607 25706 2736 1 7 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.847 0.608 25706 2737 1 7 . 1 1 17 17 ASP H H 17 8.299 8.299 8.284 0.015 25706 2738 1 7 . 1 1 18 18 ALA N N 18 121.057 121.057 121.814 -0.757 25706 2739 1 7 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.157 -0.032 25706 2740 1 7 . 1 1 18 18 ALA C C 18 180.942 180.942 179.671 1.271 25706 2741 1 7 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.002 -0.055 25706 2742 1 7 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.490 -0.273 25706 2743 1 7 . 1 1 18 18 ALA H H 18 7.851 7.851 7.642 0.209 25706 2744 1 7 . 1 1 19 19 LEU N N 19 122.159 122.159 120.038 2.121 25706 2745 1 7 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.035 -0.060 25706 2746 1 7 . 1 1 19 19 LEU C C 19 178.447 178.447 178.668 -0.221 25706 2747 1 7 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.854 0.960 25706 2748 1 7 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.181 0.192 25706 2749 1 7 . 1 1 19 19 LEU H H 19 7.941 7.941 7.509 0.432 25706 2750 1 7 . 1 1 20 20 LEU N N 20 119.065 119.065 118.759 0.306 25706 2751 1 7 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.823 -0.113 25706 2752 1 7 . 1 1 20 20 LEU C C 20 179.763 179.763 179.095 0.668 25706 2753 1 7 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.475 -0.078 25706 2754 1 7 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.324 -1.458 25706 2755 1 7 . 1 1 20 20 LEU H H 20 8.454 8.454 8.625 -0.171 25706 2756 1 7 . 1 1 21 21 SER N N 21 115.603 115.603 115.105 0.498 25706 2757 1 7 . 1 1 21 21 SER HA H 21 4.199 4.199 4.161 0.038 25706 2758 1 7 . 1 1 21 21 SER C C 21 175.002 175.002 176.629 -1.627 25706 2759 1 7 . 1 1 21 21 SER CA C 21 62.502 62.502 61.784 0.718 25706 2760 1 7 . 1 1 21 21 SER CB C 21 62.806 62.806 62.992 -0.186 25706 2761 1 7 . 1 1 21 21 SER H H 21 8.248 8.248 8.179 0.069 25706 2762 1 7 . 1 1 22 22 ALA N N 22 123.437 123.437 123.998 -0.561 25706 2763 1 7 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.138 -0.072 25706 2764 1 7 . 1 1 22 22 ALA C C 22 180.273 180.273 178.778 1.495 25706 2765 1 7 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.900 0.587 25706 2766 1 7 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.513 -0.282 25706 2767 1 7 . 1 1 22 22 ALA H H 22 7.982 7.982 7.461 0.521 25706 2768 1 7 . 1 1 23 23 VAL N N 23 119.580 119.580 119.484 0.096 25706 2769 1 7 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.234 -0.001 25706 2770 1 7 . 1 1 23 23 VAL C C 23 180.144 180.144 178.299 1.845 25706 2771 1 7 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.236 1.238 25706 2772 1 7 . 1 1 23 23 VAL CB C 23 32.211 32.211 32.108 0.103 25706 2773 1 7 . 1 1 23 23 VAL H H 23 8.382 8.382 7.885 0.497 25706 2774 1 7 . 1 1 24 24 ARG N N 24 122.585 122.585 121.096 1.489 25706 2775 1 7 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.082 -0.161 25706 2776 1 7 . 1 1 24 24 ARG C C 24 177.169 177.169 177.413 -0.244 25706 2777 1 7 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.369 1.145 25706 2778 1 7 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.144 -0.249 25706 2779 1 7 . 1 1 24 24 ARG H H 24 8.589 8.589 8.492 0.097 25706 2780 1 7 . 1 1 25 25 ASP N N 25 115.538 115.538 117.461 -1.923 25706 2781 1 7 . 1 1 25 25 ASP C C 25 175.579 175.579 175.111 0.468 25706 2782 1 7 . 1 1 25 25 ASP CA C 25 54.353 54.353 52.996 1.357 25706 2783 1 7 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.597 0.118 25706 2784 1 7 . 1 1 25 25 ASP H H 25 8.083 8.083 7.837 0.246 25706 2785 1 7 . 1 1 26 26 ASN N N 26 113.668 113.668 114.937 -1.269 25706 2786 1 7 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.408 0.084 25706 2787 1 7 . 1 1 26 26 ASN C C 26 174.953 174.953 175.364 -0.411 25706 2788 1 7 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.860 0.363 25706 2789 1 7 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.554 0.897 25706 2790 1 7 . 1 1 26 26 ASN H H 26 7.860 7.860 8.048 -0.188 25706 2791 1 7 . 1 1 27 27 ARG N N 27 117.078 117.078 116.927 0.151 25706 2792 1 7 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.315 -0.012 25706 2793 1 7 . 1 1 27 27 ARG C C 27 176.011 176.011 176.372 -0.361 25706 2794 1 7 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.423 1.159 25706 2795 1 7 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.507 0.867 25706 2796 1 7 . 1 1 27 27 ARG H H 27 8.700 8.700 8.559 0.141 25706 2797 1 7 . 1 1 28 28 LEU N N 28 119.538 119.538 120.723 -1.185 25706 2798 1 7 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.623 0.003 25706 2799 1 7 . 1 1 28 28 LEU C C 28 175.563 175.563 175.883 -0.320 25706 2800 1 7 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.907 0.496 25706 2801 1 7 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.667 2.053 25706 2802 1 7 . 1 1 28 28 LEU H H 28 7.101 7.101 7.623 -0.522 25706 2803 1 7 . 1 1 29 29 SER N N 29 119.714 119.714 120.528 -0.814 25706 2804 1 7 . 1 1 29 29 SER HA H 29 4.512 4.512 4.707 -0.195 25706 2805 1 7 . 1 1 29 29 SER C C 29 174.769 174.769 175.694 -0.925 25706 2806 1 7 . 1 1 29 29 SER CA C 29 56.883 56.883 57.281 -0.398 25706 2807 1 7 . 1 1 29 29 SER CB C 29 65.067 65.067 65.118 -0.051 25706 2808 1 7 . 1 1 29 29 SER H H 29 8.885 8.885 8.613 0.272 25706 2809 1 7 . 1 1 30 30 ILE N N 30 121.990 121.990 124.477 -2.487 25706 2810 1 7 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.723 -0.159 25706 2811 1 7 . 1 1 30 30 ILE C C 30 177.419 177.419 178.015 -0.596 25706 2812 1 7 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.837 0.869 25706 2813 1 7 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.359 -0.227 25706 2814 1 7 . 1 1 30 30 ILE H H 30 8.953 8.953 8.858 0.095 25706 2815 1 7 . 1 1 31 31 GLU N N 31 117.222 117.222 118.455 -1.233 25706 2816 1 7 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.108 -0.245 25706 2817 1 7 . 1 1 31 31 GLU C C 31 179.559 179.559 179.110 0.449 25706 2818 1 7 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.131 1.383 25706 2819 1 7 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.222 -0.176 25706 2820 1 7 . 1 1 31 31 GLU H H 31 8.669 8.669 8.727 -0.058 25706 2821 1 7 . 1 1 32 32 GLN N N 32 118.595 118.595 119.830 -1.235 25706 2822 1 7 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.106 -0.061 25706 2823 1 7 . 1 1 32 32 GLN C C 32 179.113 179.113 178.159 0.954 25706 2824 1 7 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.714 -0.213 25706 2825 1 7 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.413 0.873 25706 2826 1 7 . 1 1 32 32 GLN H H 32 7.949 7.949 8.280 -0.331 25706 2827 1 7 . 1 1 33 33 ALA N N 33 123.062 123.062 121.836 1.226 25706 2828 1 7 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.093 -0.180 25706 2829 1 7 . 1 1 33 33 ALA C C 33 178.918 178.918 179.779 -0.861 25706 2830 1 7 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.100 0.438 25706 2831 1 7 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.336 0.810 25706 2832 1 7 . 1 1 33 33 ALA H H 33 8.520 8.520 8.324 0.196 25706 2833 1 7 . 1 1 34 34 VAL N N 34 115.551 115.551 118.261 -2.710 25706 2834 1 7 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.704 -0.321 25706 2835 1 7 . 1 1 34 34 VAL C C 34 179.013 179.013 178.104 0.909 25706 2836 1 7 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.821 0.210 25706 2837 1 7 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.462 0.113 25706 2838 1 7 . 1 1 34 34 VAL H H 34 8.469 8.469 7.481 0.988 25706 2839 1 7 . 1 1 35 35 THR N N 35 114.806 114.806 115.631 -0.825 25706 2840 1 7 . 1 1 35 35 THR HA H 35 4.012 4.012 4.107 -0.095 25706 2841 1 7 . 1 1 35 35 THR C C 35 176.151 176.151 175.709 0.442 25706 2842 1 7 . 1 1 35 35 THR CA C 35 65.944 65.944 65.890 0.054 25706 2843 1 7 . 1 1 35 35 THR CB C 35 68.902 68.902 68.648 0.254 25706 2844 1 7 . 1 1 35 35 THR H H 35 7.598 7.598 7.963 -0.365 25706 2845 1 7 . 1 1 36 36 LEU N N 36 120.922 120.922 118.407 2.515 25706 2846 1 7 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.260 -0.077 25706 2847 1 7 . 1 1 36 36 LEU C C 36 177.940 177.940 178.173 -0.233 25706 2848 1 7 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.059 0.551 25706 2849 1 7 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.262 0.015 25706 2850 1 7 . 1 1 36 36 LEU H H 36 7.516 7.516 7.897 -0.381 25706 2851 1 7 . 1 1 37 37 LEU N N 37 118.066 118.066 118.536 -0.470 25706 2852 1 7 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.202 0.135 25706 2853 1 7 . 1 1 37 37 LEU C C 37 177.013 177.013 177.425 -0.412 25706 2854 1 7 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.549 -1.672 25706 2855 1 7 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.827 0.194 25706 2856 1 7 . 1 1 37 37 LEU H H 37 7.444 7.444 7.482 -0.038 25706 2857 1 7 . 1 1 38 38 THR N N 38 116.689 116.689 116.438 0.251 25706 2858 1 7 . 1 1 38 38 THR HA H 38 4.469 4.469 4.447 0.022 25706 2859 1 7 . 1 1 38 38 THR CA C 38 61.736 61.736 61.524 0.212 25706 2860 1 7 . 1 1 38 38 THR CB C 38 69.544 69.544 68.401 1.143 25706 2861 1 7 . 1 1 38 38 THR H H 38 7.925 7.925 8.002 -0.077 25706 2862 1 7 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.522 -0.049 25706 2863 1 7 . 1 1 39 39 PRO C C 39 177.055 177.055 177.867 -0.812 25706 2864 1 7 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.981 0.524 25706 2865 1 7 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.523 -0.383 25706 2866 1 7 . 1 1 40 40 ARG N N 40 120.701 120.701 121.309 -0.608 25706 2867 1 7 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.163 0.144 25706 2868 1 7 . 1 1 40 40 ARG C C 40 176.527 176.527 176.921 -0.394 25706 2869 1 7 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.992 -1.685 25706 2870 1 7 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.093 0.704 25706 2871 1 7 . 1 1 40 40 ARG H H 40 8.384 8.384 8.723 -0.339 25706 2872 1 7 . 1 1 41 41 ARG N N 41 121.467 121.467 117.396 4.071 25706 2873 1 7 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.494 -0.113 25706 2874 1 7 . 1 1 41 41 ARG C C 41 176.791 176.791 177.234 -0.443 25706 2875 1 7 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.383 0.845 25706 2876 1 7 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.195 0.674 25706 2877 1 7 . 1 1 41 41 ARG H H 41 8.367 8.367 8.055 0.312 25706 2878 1 7 . 1 1 42 42 GLY N N 42 110.418 110.418 108.129 2.289 25706 2879 1 7 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.628 0.719 25706 2880 1 7 . 1 1 42 42 GLY H H 42 8.538 8.538 7.597 0.941 25706 2881 1 7 . 1 1 44 44 GLY C C 44 174.487 174.487 173.974 0.513 25706 2882 1 7 . 1 1 45 45 SER N N 45 115.788 115.788 118.954 -3.166 25706 2883 1 7 . 1 1 45 45 SER HA H 45 4.515 4.515 4.173 0.342 25706 2884 1 7 . 1 1 45 45 SER C C 45 175.337 175.337 174.883 0.454 25706 2885 1 7 . 1 1 45 45 SER CA C 45 58.590 58.590 58.737 -0.147 25706 2886 1 7 . 1 1 45 45 SER CB C 45 63.920 63.920 63.529 0.391 25706 2887 1 7 . 1 1 45 45 SER H H 45 8.422 8.422 8.284 0.138 25706 2888 1 7 . 1 1 46 46 GLY N N 46 111.003 111.003 111.598 -0.595 25706 2889 1 7 . 1 1 46 46 GLY C C 46 174.837 174.837 174.514 0.323 25706 2890 1 7 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.420 1.077 25706 2891 1 7 . 1 1 46 46 GLY H H 46 8.600 8.600 8.749 -0.149 25706 2892 1 7 . 1 1 47 47 GLY N N 47 108.933 108.933 106.840 2.093 25706 2893 1 7 . 1 1 47 47 GLY C C 47 174.864 174.864 175.385 -0.521 25706 2894 1 7 . 1 1 47 47 GLY H H 47 8.398 8.398 8.464 -0.066 25706 2895 1 7 . 1 1 48 48 GLY N N 48 108.905 108.905 108.473 0.432 25706 2896 1 7 . 1 1 48 48 GLY C C 48 174.496 174.496 174.241 0.255 25706 2897 1 7 . 1 1 48 48 GLY H H 48 8.418 8.418 7.720 0.698 25706 2898 1 7 . 1 1 49 49 SER N N 49 115.575 115.575 114.972 0.603 25706 2899 1 7 . 1 1 49 49 SER HA H 49 4.439 4.439 4.360 0.079 25706 2900 1 7 . 1 1 49 49 SER C C 49 174.539 174.539 174.806 -0.267 25706 2901 1 7 . 1 1 49 49 SER CA C 49 58.826 58.826 58.631 0.195 25706 2902 1 7 . 1 1 49 49 SER CB C 49 64.100 64.100 64.093 0.007 25706 2903 1 7 . 1 1 49 49 SER H H 49 8.292 8.292 8.207 0.085 25706 2904 1 7 . 1 1 50 50 MET N N 50 121.907 121.907 116.184 5.723 25706 2905 1 7 . 1 1 50 50 MET HA H 50 4.445 4.445 4.054 0.391 25706 2906 1 7 . 1 1 50 50 MET C C 50 175.456 175.456 174.954 0.502 25706 2907 1 7 . 1 1 50 50 MET CA C 50 55.951 55.951 56.090 -0.139 25706 2908 1 7 . 1 1 50 50 MET CB C 50 33.967 33.967 30.702 3.265 25706 2909 1 7 . 1 1 50 50 MET H H 50 8.310 8.310 8.437 -0.127 25706 2910 1 7 . 1 1 51 51 ASP N N 51 122.904 122.904 121.169 1.735 25706 2911 1 7 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.567 0.074 25706 2912 1 7 . 1 1 51 51 ASP C C 51 176.239 176.239 177.019 -0.780 25706 2913 1 7 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.169 -0.658 25706 2914 1 7 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.267 -1.754 25706 2915 1 7 . 1 1 51 51 ASP H H 51 8.506 8.506 7.962 0.544 25706 2916 1 7 . 1 1 52 52 ALA N N 52 123.354 123.354 128.726 -5.372 25706 2917 1 7 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.005 -0.159 25706 2918 1 7 . 1 1 52 52 ALA C C 52 178.517 178.517 179.421 -0.904 25706 2919 1 7 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.194 0.404 25706 2920 1 7 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.826 -0.209 25706 2921 1 7 . 1 1 52 52 ALA H H 52 8.506 8.506 8.731 -0.225 25706 2922 1 7 . 1 1 53 53 LYS N N 53 117.034 117.034 117.940 -0.906 25706 2923 1 7 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.037 -0.439 25706 2924 1 7 . 1 1 53 53 LYS C C 53 179.171 179.171 178.416 0.755 25706 2925 1 7 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.744 0.658 25706 2926 1 7 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.438 -0.380 25706 2927 1 7 . 1 1 53 53 LYS H H 53 8.407 8.407 8.494 -0.087 25706 2928 1 7 . 1 1 54 54 GLU N N 54 123.212 123.212 120.190 3.022 25706 2929 1 7 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.126 -0.053 25706 2930 1 7 . 1 1 54 54 GLU C C 54 178.526 178.526 178.964 -0.438 25706 2931 1 7 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.027 0.717 25706 2932 1 7 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.042 0.296 25706 2933 1 7 . 1 1 54 54 GLU H H 54 8.005 8.005 7.678 0.327 25706 2934 1 7 . 1 1 55 55 ILE N N 55 119.567 119.567 120.945 -1.378 25706 2935 1 7 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.724 -0.295 25706 2936 1 7 . 1 1 55 55 ILE C C 55 177.999 177.999 178.239 -0.240 25706 2937 1 7 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.644 -0.032 25706 2938 1 7 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.858 0.853 25706 2939 1 7 . 1 1 55 55 ILE H H 55 8.088 8.088 8.177 -0.089 25706 2940 1 7 . 1 1 56 56 LEU N N 56 116.646 116.646 120.338 -3.692 25706 2941 1 7 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.101 -0.097 25706 2942 1 7 . 1 1 56 56 LEU C C 56 178.636 178.636 179.357 -0.721 25706 2943 1 7 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.194 -0.130 25706 2944 1 7 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.530 2.414 25706 2945 1 7 . 1 1 56 56 LEU H H 56 8.477 8.477 8.525 -0.048 25706 2946 1 7 . 1 1 57 57 THR N N 57 117.148 117.148 115.945 1.203 25706 2947 1 7 . 1 1 57 57 THR HA H 57 3.833 3.833 3.886 -0.053 25706 2948 1 7 . 1 1 57 57 THR C C 57 175.836 175.836 176.935 -1.099 25706 2949 1 7 . 1 1 57 57 THR CA C 57 67.615 67.615 67.368 0.247 25706 2950 1 7 . 1 1 57 57 THR CB C 57 68.860 68.860 68.577 0.283 25706 2951 1 7 . 1 1 57 57 THR H H 57 8.260 8.260 8.514 -0.254 25706 2952 1 7 . 1 1 58 58 ARG N N 58 120.818 120.818 120.869 -0.051 25706 2953 1 7 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.067 0.181 25706 2954 1 7 . 1 1 58 58 ARG C C 58 179.476 179.476 178.257 1.219 25706 2955 1 7 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.444 -0.169 25706 2956 1 7 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.138 0.410 25706 2957 1 7 . 1 1 58 58 ARG H H 58 8.202 8.202 8.079 0.123 25706 2958 1 7 . 1 1 59 59 PHE N N 59 119.668 119.668 121.857 -2.189 25706 2959 1 7 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.631 0.117 25706 2960 1 7 . 1 1 59 59 PHE C C 59 178.260 178.260 177.362 0.898 25706 2961 1 7 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.386 -0.109 25706 2962 1 7 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.357 -0.137 25706 2963 1 7 . 1 1 59 59 PHE H H 59 8.615 8.615 8.508 0.107 25706 2964 1 7 . 1 1 60 60 LYS N N 60 123.687 123.687 118.359 5.328 25706 2965 1 7 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.825 -0.338 25706 2966 1 7 . 1 1 60 60 LYS C C 60 177.801 177.801 178.222 -0.421 25706 2967 1 7 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.991 0.834 25706 2968 1 7 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.165 0.251 25706 2969 1 7 . 1 1 60 60 LYS H H 60 8.800 8.800 8.304 0.496 25706 2970 1 7 . 1 1 61 61 ASP N N 61 116.083 116.083 117.321 -1.238 25706 2971 1 7 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.517 0.076 25706 2972 1 7 . 1 1 61 61 ASP C C 61 177.052 177.052 176.664 0.388 25706 2973 1 7 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.771 0.148 25706 2974 1 7 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.534 -0.528 25706 2975 1 7 . 1 1 61 61 ASP H H 61 8.107 8.107 7.855 0.252 25706 2976 1 7 . 1 1 62 62 GLY N N 62 107.294 107.294 105.945 1.349 25706 2977 1 7 . 1 1 62 62 GLY C C 62 175.018 175.018 175.768 -0.750 25706 2978 1 7 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.273 0.112 25706 2979 1 7 . 1 1 62 62 GLY H H 62 7.625 7.625 7.257 0.368 25706 2980 1 7 . 1 1 63 63 GLY N N 63 109.718 109.718 108.162 1.556 25706 2981 1 7 . 1 1 63 63 GLY C C 63 173.393 173.393 174.406 -1.013 25706 2982 1 7 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.895 0.842 25706 2983 1 7 . 1 1 63 63 GLY H H 63 8.687 8.687 8.024 0.663 25706 2984 1 7 . 1 1 64 64 LEU N N 64 119.332 119.332 120.895 -1.563 25706 2985 1 7 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.765 -0.047 25706 2986 1 7 . 1 1 64 64 LEU C C 64 175.357 175.357 175.084 0.273 25706 2987 1 7 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.029 -0.092 25706 2988 1 7 . 1 1 64 64 LEU CB C 64 47.077 47.077 44.620 2.457 25706 2989 1 7 . 1 1 64 64 LEU H H 64 7.034 7.034 7.366 -0.332 25706 2990 1 7 . 1 1 65 65 ASP N N 65 121.569 121.569 125.553 -3.984 25706 2991 1 7 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.944 -0.151 25706 2992 1 7 . 1 1 65 65 ASP C C 65 175.652 175.652 177.353 -1.701 25706 2993 1 7 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.016 -1.139 25706 2994 1 7 . 1 1 65 65 ASP CB C 65 41.818 41.818 43.399 -1.581 25706 2995 1 7 . 1 1 65 65 ASP H H 65 8.287 8.287 8.686 -0.399 25706 2996 1 7 . 1 1 66 66 ARG N N 66 120.199 120.199 122.992 -2.793 25706 2997 1 7 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.881 -0.126 25706 2998 1 7 . 1 1 66 66 ARG C C 66 177.271 177.271 177.822 -0.551 25706 2999 1 7 . 1 1 66 66 ARG CA C 66 60.564 60.564 60.168 0.396 25706 3000 1 7 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.290 0.560 25706 3001 1 7 . 1 1 66 66 ARG H H 66 8.860 8.860 8.972 -0.112 25706 3002 1 7 . 1 1 67 67 ALA N N 67 120.212 120.212 119.919 0.293 25706 3003 1 7 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.187 -0.103 25706 3004 1 7 . 1 1 67 67 ALA C C 67 181.015 181.015 179.563 1.452 25706 3005 1 7 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.849 0.327 25706 3006 1 7 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.105 -0.265 25706 3007 1 7 . 1 1 67 67 ALA H H 67 8.339 8.339 8.518 -0.179 25706 3008 1 7 . 1 1 68 68 ALA N N 68 122.433 122.433 121.316 1.117 25706 3009 1 7 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.107 0.048 25706 3010 1 7 . 1 1 68 68 ALA C C 68 180.071 180.071 179.448 0.623 25706 3011 1 7 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.556 0.394 25706 3012 1 7 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.251 0.996 25706 3013 1 7 . 1 1 68 68 ALA H H 68 8.184 8.184 7.469 0.715 25706 3014 1 7 . 1 1 69 69 ALA N N 69 119.845 119.845 121.291 -1.446 25706 3015 1 7 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.866 -0.034 25706 3016 1 7 . 1 1 69 69 ALA C C 69 178.826 178.826 179.709 -0.883 25706 3017 1 7 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.147 0.383 25706 3018 1 7 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.878 0.099 25706 3019 1 7 . 1 1 69 69 ALA H H 69 8.511 8.511 8.540 -0.029 25706 3020 1 7 . 1 1 70 70 GLN N N 70 116.137 116.137 117.869 -1.732 25706 3021 1 7 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.831 -0.231 25706 3022 1 7 . 1 1 70 70 GLN C C 70 177.832 177.832 178.538 -0.706 25706 3023 1 7 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.835 1.215 25706 3024 1 7 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.583 -0.408 25706 3025 1 7 . 1 1 70 70 GLN H H 70 8.528 8.528 8.245 0.283 25706 3026 1 7 . 1 1 71 71 ALA N N 71 120.118 120.118 123.230 -3.112 25706 3027 1 7 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.999 0.064 25706 3028 1 7 . 1 1 71 71 ALA C C 71 180.495 180.495 179.413 1.082 25706 3029 1 7 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.168 0.010 25706 3030 1 7 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.563 -0.667 25706 3031 1 7 . 1 1 71 71 ALA H H 71 7.625 7.625 7.767 -0.142 25706 3032 1 7 . 1 1 72 72 LEU N N 72 117.959 117.959 119.556 -1.597 25706 3033 1 7 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.176 -0.003 25706 3034 1 7 . 1 1 72 72 LEU C C 72 180.674 180.674 180.167 0.507 25706 3035 1 7 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.577 -0.023 25706 3036 1 7 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.597 1.170 25706 3037 1 7 . 1 1 72 72 LEU H H 72 8.068 8.068 8.187 -0.119 25706 3038 1 7 . 1 1 73 73 LEU N N 73 119.237 119.237 119.550 -0.313 25706 3039 1 7 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.039 0.075 25706 3040 1 7 . 1 1 73 73 LEU C C 73 177.691 177.691 178.718 -1.027 25706 3041 1 7 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.323 -0.599 25706 3042 1 7 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.625 0.964 25706 3043 1 7 . 1 1 73 73 LEU H H 73 8.251 8.251 8.534 -0.283 25706 3044 1 7 . 1 1 74 74 ALA N N 74 120.421 120.421 118.417 2.004 25706 3045 1 7 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.350 -0.062 25706 3046 1 7 . 1 1 74 74 ALA C C 74 178.222 178.222 177.845 0.377 25706 3047 1 7 . 1 1 74 74 ALA CA C 74 52.861 52.861 51.842 1.019 25706 3048 1 7 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.005 0.193 25706 3049 1 7 . 1 1 74 74 ALA H H 74 7.765 7.765 7.584 0.181 25706 3050 1 7 . 1 1 75 75 GLY N N 75 106.485 106.485 105.102 1.383 25706 3051 1 7 . 1 1 75 75 GLY C C 75 174.299 174.299 174.808 -0.509 25706 3052 1 7 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.324 0.463 25706 3053 1 7 . 1 1 75 75 GLY H H 75 7.895 7.895 7.426 0.469 25706 3054 1 7 . 1 1 76 76 ARG N N 76 119.703 119.703 119.578 0.125 25706 3055 1 7 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.785 -0.283 25706 3056 1 7 . 1 1 76 76 ARG C C 76 175.750 175.750 175.549 0.201 25706 3057 1 7 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.429 1.978 25706 3058 1 7 . 1 1 76 76 ARG CB C 76 31.303 31.303 31.480 -0.177 25706 3059 1 7 . 1 1 76 76 ARG H H 76 8.110 8.110 8.267 -0.157 25706 3060 1 7 . 1 1 77 77 THR N N 77 116.771 116.771 114.119 2.652 25706 3061 1 7 . 1 1 77 77 THR HA H 77 4.582 4.582 4.488 0.094 25706 3062 1 7 . 1 1 77 77 THR CA C 77 59.920 59.920 59.800 0.120 25706 3063 1 7 . 1 1 77 77 THR CB C 77 69.810 69.810 68.917 0.893 25706 3064 1 7 . 1 1 77 77 THR H H 77 8.181 8.181 8.290 -0.109 25706 3065 1 7 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.437 -0.069 25706 3066 1 7 . 1 1 78 78 PRO C C 78 176.366 176.366 175.872 0.494 25706 3067 1 7 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.510 0.644 25706 3068 1 7 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.152 -0.044 25706 3069 1 7 . 1 1 79 79 ALA N N 79 124.715 124.715 121.972 2.743 25706 3070 1 7 . 1 1 79 79 ALA HA H 79 4.246 4.246 5.068 -0.822 25706 3071 1 7 . 1 1 79 79 ALA C C 79 177.314 177.314 175.937 1.377 25706 3072 1 7 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.662 0.736 25706 3073 1 7 . 1 1 79 79 ALA CB C 79 19.306 19.306 21.148 -1.843 25706 3074 1 7 . 1 1 79 79 ALA H H 79 8.417 8.417 8.735 -0.318 25706 3075 1 7 . 1 1 80 80 ALA N N 80 123.467 123.467 122.588 0.879 25706 3076 1 7 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.692 -0.402 25706 3077 1 7 . 1 1 80 80 ALA C C 80 177.000 177.000 176.857 0.143 25706 3078 1 7 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.453 0.557 25706 3079 1 7 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.833 -0.386 25706 3080 1 7 . 1 1 80 80 ALA H H 80 8.232 8.232 8.202 0.030 25706 3081 1 7 . 1 1 81 81 ALA N N 81 125.029 125.029 122.746 2.283 25706 3082 1 7 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.268 0.294 25706 3083 1 7 . 1 1 81 81 ALA CA C 81 50.431 50.431 52.067 -1.636 25706 3084 1 7 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.344 1.136 25706 3085 1 7 . 1 1 81 81 ALA H H 81 8.250 8.250 8.204 0.046 25706 3086 1 7 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.446 -0.034 25706 3087 1 7 . 1 1 82 82 PRO C C 82 176.531 176.531 175.834 0.697 25706 3088 1 7 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.078 -0.080 25706 3089 1 7 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.765 0.318 25706 3090 1 7 . 1 1 83 83 ARG N N 83 122.956 122.956 118.992 3.964 25706 3091 1 7 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.859 -0.248 25706 3092 1 7 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.099 -0.321 25706 3093 1 7 . 1 1 83 83 ARG CB C 83 30.242 30.242 30.549 -0.307 25706 3094 1 7 . 1 1 83 83 ARG H H 83 8.384 8.384 7.833 0.551 25706 3095 1 8 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.663 -0.191 25706 3096 1 8 . 1 1 2 2 PRO C C 2 177.459 177.459 176.163 1.296 25706 3097 1 8 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.499 1.075 25706 3098 1 8 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.402 -0.256 25706 3099 1 8 . 1 1 3 3 GLY N N 3 109.882 109.882 111.714 -1.832 25706 3100 1 8 . 1 1 3 3 GLY C C 3 174.103 174.103 175.368 -1.265 25706 3101 1 8 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.884 -0.612 25706 3102 1 8 . 1 1 3 3 GLY H H 3 8.645 8.645 8.728 -0.083 25706 3103 1 8 . 1 1 4 4 SER N N 4 115.534 115.534 116.417 -0.883 25706 3104 1 8 . 1 1 4 4 SER HA H 4 4.438 4.438 4.383 0.055 25706 3105 1 8 . 1 1 4 4 SER C C 4 174.137 174.137 174.465 -0.328 25706 3106 1 8 . 1 1 4 4 SER CA C 4 58.319 58.319 59.668 -1.349 25706 3107 1 8 . 1 1 4 4 SER CB C 4 63.864 63.864 63.506 0.358 25706 3108 1 8 . 1 1 4 4 SER H H 4 8.127 8.127 8.584 -0.457 25706 3109 1 8 . 1 1 5 5 TYR N N 5 122.533 122.533 121.916 0.617 25706 3110 1 8 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.809 -0.139 25706 3111 1 8 . 1 1 5 5 TYR C C 5 176.109 176.109 174.234 1.875 25706 3112 1 8 . 1 1 5 5 TYR CA C 5 58.115 58.115 56.614 1.501 25706 3113 1 8 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.867 -2.012 25706 3114 1 8 . 1 1 5 5 TYR H H 5 8.349 8.349 7.492 0.857 25706 3115 1 8 . 1 1 6 6 THR N N 6 116.290 116.290 114.884 1.406 25706 3116 1 8 . 1 1 6 6 THR HA H 6 4.305 4.305 4.393 -0.088 25706 3117 1 8 . 1 1 6 6 THR C C 6 174.899 174.899 174.575 0.324 25706 3118 1 8 . 1 1 6 6 THR CA C 6 61.743 61.743 60.969 0.774 25706 3119 1 8 . 1 1 6 6 THR CB C 6 69.859 69.859 69.243 0.616 25706 3120 1 8 . 1 1 6 6 THR H H 6 8.177 8.177 7.326 0.851 25706 3121 1 8 . 1 1 7 7 GLY N N 7 110.576 110.576 109.340 1.236 25706 3122 1 8 . 1 1 7 7 GLY C C 7 173.596 173.596 172.922 0.674 25706 3123 1 8 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.908 0.439 25706 3124 1 8 . 1 1 7 7 GLY H H 7 7.646 7.646 8.111 -0.465 25706 3125 1 8 . 1 1 8 8 ALA N N 8 123.499 123.499 121.739 1.760 25706 3126 1 8 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.522 -0.167 25706 3127 1 8 . 1 1 8 8 ALA C C 8 178.119 178.119 177.580 0.539 25706 3128 1 8 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.392 0.155 25706 3129 1 8 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.269 0.118 25706 3130 1 8 . 1 1 8 8 ALA H H 8 8.171 8.171 8.464 -0.293 25706 3131 1 8 . 1 1 9 9 GLY N N 9 108.467 108.467 108.581 -0.114 25706 3132 1 8 . 1 1 9 9 GLY C C 9 173.664 173.664 173.105 0.559 25706 3133 1 8 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.728 0.401 25706 3134 1 8 . 1 1 9 9 GLY H H 9 8.398 8.398 8.847 -0.449 25706 3135 1 8 . 1 1 10 10 GLU N N 10 121.535 121.535 120.221 1.314 25706 3136 1 8 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.550 0.048 25706 3137 1 8 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.706 -0.454 25706 3138 1 8 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.660 0.299 25706 3139 1 8 . 1 1 10 10 GLU H H 10 8.230 8.230 8.307 -0.077 25706 3140 1 8 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.409 0.045 25706 3141 1 8 . 1 1 11 11 PRO C C 11 176.799 176.799 176.123 0.676 25706 3142 1 8 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.569 0.733 25706 3143 1 8 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.994 -0.970 25706 3144 1 8 . 1 1 12 12 SER N N 12 117.122 117.122 115.077 2.045 25706 3145 1 8 . 1 1 12 12 SER HA H 12 4.469 4.469 4.410 0.059 25706 3146 1 8 . 1 1 12 12 SER C C 12 174.904 174.904 176.310 -1.406 25706 3147 1 8 . 1 1 12 12 SER CA C 12 57.876 57.876 56.988 0.888 25706 3148 1 8 . 1 1 12 12 SER CB C 12 64.624 64.624 64.717 -0.093 25706 3149 1 8 . 1 1 12 12 SER H H 12 8.721 8.721 8.648 0.073 25706 3150 1 8 . 1 1 13 13 GLN N N 13 121.678 121.678 125.163 -3.485 25706 3151 1 8 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.059 0.061 25706 3152 1 8 . 1 1 13 13 GLN C C 13 178.113 178.113 177.099 1.014 25706 3153 1 8 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.593 -0.736 25706 3154 1 8 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.242 0.500 25706 3155 1 8 . 1 1 13 13 GLN H H 13 8.660 8.660 8.976 -0.316 25706 3156 1 8 . 1 1 14 14 ALA N N 14 122.557 122.557 121.813 0.744 25706 3157 1 8 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.118 0.090 25706 3158 1 8 . 1 1 14 14 ALA C C 14 179.168 179.168 179.098 0.070 25706 3159 1 8 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.775 -0.712 25706 3160 1 8 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.396 0.578 25706 3161 1 8 . 1 1 14 14 ALA H H 14 8.251 8.251 7.827 0.424 25706 3162 1 8 . 1 1 15 15 ASP N N 15 120.191 120.191 120.328 -0.137 25706 3163 1 8 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.447 0.048 25706 3164 1 8 . 1 1 15 15 ASP C C 15 178.121 178.121 178.506 -0.385 25706 3165 1 8 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.890 -1.387 25706 3166 1 8 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.482 0.103 25706 3167 1 8 . 1 1 15 15 ASP H H 15 8.049 8.049 7.648 0.401 25706 3168 1 8 . 1 1 16 16 LEU N N 16 122.661 122.661 120.649 2.012 25706 3169 1 8 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.882 0.121 25706 3170 1 8 . 1 1 16 16 LEU C C 16 178.320 178.320 178.597 -0.277 25706 3171 1 8 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.010 -0.274 25706 3172 1 8 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.845 0.072 25706 3173 1 8 . 1 1 16 16 LEU H H 16 8.258 8.258 8.083 0.175 25706 3174 1 8 . 1 1 17 17 ASP N N 17 119.364 119.364 119.011 0.353 25706 3175 1 8 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.263 -0.020 25706 3176 1 8 . 1 1 17 17 ASP C C 17 178.534 178.534 178.165 0.369 25706 3177 1 8 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.575 0.519 25706 3178 1 8 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.727 0.728 25706 3179 1 8 . 1 1 17 17 ASP H H 17 8.299 8.299 8.311 -0.012 25706 3180 1 8 . 1 1 18 18 ALA N N 18 121.057 121.057 121.794 -0.737 25706 3181 1 8 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.132 -0.007 25706 3182 1 8 . 1 1 18 18 ALA C C 18 180.942 180.942 179.780 1.162 25706 3183 1 8 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.939 0.008 25706 3184 1 8 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.484 -0.267 25706 3185 1 8 . 1 1 18 18 ALA H H 18 7.851 7.851 7.512 0.339 25706 3186 1 8 . 1 1 19 19 LEU N N 19 122.159 122.159 119.847 2.312 25706 3187 1 8 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.077 -0.102 25706 3188 1 8 . 1 1 19 19 LEU C C 19 178.447 178.447 178.630 -0.183 25706 3189 1 8 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.737 1.077 25706 3190 1 8 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.241 0.132 25706 3191 1 8 . 1 1 19 19 LEU H H 19 7.941 7.941 7.488 0.453 25706 3192 1 8 . 1 1 20 20 LEU N N 20 119.065 119.065 118.808 0.257 25706 3193 1 8 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.870 -0.160 25706 3194 1 8 . 1 1 20 20 LEU C C 20 179.763 179.763 179.194 0.569 25706 3195 1 8 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.489 -0.092 25706 3196 1 8 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.310 -1.444 25706 3197 1 8 . 1 1 20 20 LEU H H 20 8.454 8.454 8.586 -0.132 25706 3198 1 8 . 1 1 21 21 SER N N 21 115.603 115.603 114.070 1.533 25706 3199 1 8 . 1 1 21 21 SER HA H 21 4.199 4.199 4.193 0.006 25706 3200 1 8 . 1 1 21 21 SER C C 21 175.002 175.002 176.126 -1.124 25706 3201 1 8 . 1 1 21 21 SER CA C 21 62.502 62.502 61.283 1.219 25706 3202 1 8 . 1 1 21 21 SER CB C 21 62.806 62.806 63.079 -0.273 25706 3203 1 8 . 1 1 21 21 SER H H 21 8.248 8.248 8.298 -0.050 25706 3204 1 8 . 1 1 22 22 ALA N N 22 123.437 123.437 123.180 0.257 25706 3205 1 8 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.178 -0.112 25706 3206 1 8 . 1 1 22 22 ALA C C 22 180.273 180.273 178.839 1.434 25706 3207 1 8 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.762 0.725 25706 3208 1 8 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.393 -0.162 25706 3209 1 8 . 1 1 22 22 ALA H H 22 7.982 7.982 7.488 0.494 25706 3210 1 8 . 1 1 23 23 VAL N N 23 119.580 119.580 119.355 0.225 25706 3211 1 8 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.157 0.076 25706 3212 1 8 . 1 1 23 23 VAL C C 23 180.144 180.144 178.319 1.825 25706 3213 1 8 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.664 0.810 25706 3214 1 8 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.402 0.809 25706 3215 1 8 . 1 1 23 23 VAL H H 23 8.382 8.382 7.554 0.828 25706 3216 1 8 . 1 1 24 24 ARG N N 24 122.585 122.585 118.329 4.256 25706 3217 1 8 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.083 -0.162 25706 3218 1 8 . 1 1 24 24 ARG C C 24 177.169 177.169 177.187 -0.018 25706 3219 1 8 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.813 0.701 25706 3220 1 8 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.169 -0.274 25706 3221 1 8 . 1 1 24 24 ARG H H 24 8.589 8.589 8.090 0.499 25706 3222 1 8 . 1 1 25 25 ASP N N 25 115.538 115.538 116.911 -1.373 25706 3223 1 8 . 1 1 25 25 ASP C C 25 175.579 175.579 175.469 0.110 25706 3224 1 8 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.057 1.296 25706 3225 1 8 . 1 1 25 25 ASP CB C 25 40.715 40.715 41.721 -1.006 25706 3226 1 8 . 1 1 25 25 ASP H H 25 8.083 8.083 7.659 0.424 25706 3227 1 8 . 1 1 26 26 ASN N N 26 113.668 113.668 115.758 -2.090 25706 3228 1 8 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.323 0.169 25706 3229 1 8 . 1 1 26 26 ASN C C 26 174.953 174.953 175.483 -0.530 25706 3230 1 8 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.997 0.226 25706 3231 1 8 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.688 0.763 25706 3232 1 8 . 1 1 26 26 ASN H H 26 7.860 7.860 8.046 -0.186 25706 3233 1 8 . 1 1 27 27 ARG N N 27 117.078 117.078 116.743 0.335 25706 3234 1 8 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.359 -0.056 25706 3235 1 8 . 1 1 27 27 ARG C C 27 176.011 176.011 175.975 0.036 25706 3236 1 8 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.725 0.857 25706 3237 1 8 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.843 0.531 25706 3238 1 8 . 1 1 27 27 ARG H H 27 8.700 8.700 8.412 0.288 25706 3239 1 8 . 1 1 28 28 LEU N N 28 119.538 119.538 119.741 -0.203 25706 3240 1 8 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.803 -0.177 25706 3241 1 8 . 1 1 28 28 LEU C C 28 175.563 175.563 175.773 -0.210 25706 3242 1 8 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.230 0.173 25706 3243 1 8 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.461 1.259 25706 3244 1 8 . 1 1 28 28 LEU H H 28 7.101 7.101 7.620 -0.519 25706 3245 1 8 . 1 1 29 29 SER N N 29 119.714 119.714 116.697 3.017 25706 3246 1 8 . 1 1 29 29 SER HA H 29 4.512 4.512 4.691 -0.179 25706 3247 1 8 . 1 1 29 29 SER C C 29 174.769 174.769 175.317 -0.548 25706 3248 1 8 . 1 1 29 29 SER CA C 29 56.883 56.883 56.225 0.658 25706 3249 1 8 . 1 1 29 29 SER CB C 29 65.067 65.067 65.763 -0.696 25706 3250 1 8 . 1 1 29 29 SER H H 29 8.885 8.885 8.364 0.521 25706 3251 1 8 . 1 1 30 30 ILE N N 30 121.990 121.990 124.305 -2.315 25706 3252 1 8 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.731 -0.167 25706 3253 1 8 . 1 1 30 30 ILE C C 30 177.419 177.419 178.040 -0.621 25706 3254 1 8 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.778 0.928 25706 3255 1 8 . 1 1 30 30 ILE CB C 30 37.132 37.132 36.986 0.146 25706 3256 1 8 . 1 1 30 30 ILE H H 30 8.953 8.953 8.818 0.135 25706 3257 1 8 . 1 1 31 31 GLU N N 31 117.222 117.222 118.507 -1.285 25706 3258 1 8 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.129 -0.266 25706 3259 1 8 . 1 1 31 31 GLU C C 31 179.559 179.559 178.541 1.018 25706 3260 1 8 . 1 1 31 31 GLU CA C 31 60.514 60.514 58.989 1.524 25706 3261 1 8 . 1 1 31 31 GLU CB C 31 29.046 29.046 28.689 0.357 25706 3262 1 8 . 1 1 31 31 GLU H H 31 8.669 8.669 8.712 -0.043 25706 3263 1 8 . 1 1 32 32 GLN N N 32 118.595 118.595 118.518 0.077 25706 3264 1 8 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.195 -0.150 25706 3265 1 8 . 1 1 32 32 GLN C C 32 179.113 179.113 178.260 0.853 25706 3266 1 8 . 1 1 32 32 GLN CA C 32 58.501 58.501 57.991 0.510 25706 3267 1 8 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.038 1.248 25706 3268 1 8 . 1 1 32 32 GLN H H 32 7.949 7.949 8.388 -0.439 25706 3269 1 8 . 1 1 33 33 ALA N N 33 123.062 123.062 122.672 0.390 25706 3270 1 8 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.169 -0.256 25706 3271 1 8 . 1 1 33 33 ALA C C 33 178.918 178.918 179.643 -0.725 25706 3272 1 8 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.050 0.488 25706 3273 1 8 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.488 0.658 25706 3274 1 8 . 1 1 33 33 ALA H H 33 8.520 8.520 8.327 0.193 25706 3275 1 8 . 1 1 34 34 VAL N N 34 115.551 115.551 118.757 -3.206 25706 3276 1 8 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.641 -0.258 25706 3277 1 8 . 1 1 34 34 VAL C C 34 179.013 179.013 178.210 0.803 25706 3278 1 8 . 1 1 34 34 VAL CA C 34 67.031 67.031 67.246 -0.215 25706 3279 1 8 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.583 -0.008 25706 3280 1 8 . 1 1 34 34 VAL H H 34 8.469 8.469 7.794 0.675 25706 3281 1 8 . 1 1 35 35 THR N N 35 114.806 114.806 115.298 -0.492 25706 3282 1 8 . 1 1 35 35 THR HA H 35 4.012 4.012 4.077 -0.065 25706 3283 1 8 . 1 1 35 35 THR C C 35 176.151 176.151 175.764 0.387 25706 3284 1 8 . 1 1 35 35 THR CA C 35 65.944 65.944 65.948 -0.004 25706 3285 1 8 . 1 1 35 35 THR CB C 35 68.902 68.902 68.796 0.106 25706 3286 1 8 . 1 1 35 35 THR H H 35 7.598 7.598 7.760 -0.162 25706 3287 1 8 . 1 1 36 36 LEU N N 36 120.922 120.922 118.046 2.876 25706 3288 1 8 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.279 -0.096 25706 3289 1 8 . 1 1 36 36 LEU C C 36 177.940 177.940 178.045 -0.105 25706 3290 1 8 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.052 0.558 25706 3291 1 8 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.158 0.119 25706 3292 1 8 . 1 1 36 36 LEU H H 36 7.516 7.516 7.405 0.111 25706 3293 1 8 . 1 1 37 37 LEU N N 37 118.066 118.066 118.915 -0.849 25706 3294 1 8 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.259 0.078 25706 3295 1 8 . 1 1 37 37 LEU C C 37 177.013 177.013 177.081 -0.068 25706 3296 1 8 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.196 -1.319 25706 3297 1 8 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.937 0.084 25706 3298 1 8 . 1 1 37 37 LEU H H 37 7.444 7.444 7.681 -0.237 25706 3299 1 8 . 1 1 38 38 THR N N 38 116.689 116.689 117.778 -1.089 25706 3300 1 8 . 1 1 38 38 THR HA H 38 4.469 4.469 4.368 0.101 25706 3301 1 8 . 1 1 38 38 THR CA C 38 61.736 61.736 62.083 -0.347 25706 3302 1 8 . 1 1 38 38 THR CB C 38 69.544 69.544 68.769 0.775 25706 3303 1 8 . 1 1 38 38 THR H H 38 7.925 7.925 7.793 0.132 25706 3304 1 8 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.524 -0.051 25706 3305 1 8 . 1 1 39 39 PRO C C 39 177.055 177.055 177.864 -0.809 25706 3306 1 8 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.650 0.855 25706 3307 1 8 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.474 -0.334 25706 3308 1 8 . 1 1 40 40 ARG N N 40 120.701 120.701 121.361 -0.660 25706 3309 1 8 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.297 0.010 25706 3310 1 8 . 1 1 40 40 ARG C C 40 176.527 176.527 177.013 -0.486 25706 3311 1 8 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.570 -1.263 25706 3312 1 8 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.548 0.249 25706 3313 1 8 . 1 1 40 40 ARG H H 40 8.384 8.384 8.455 -0.071 25706 3314 1 8 . 1 1 41 41 ARG N N 41 121.467 121.467 118.639 2.828 25706 3315 1 8 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.502 -0.121 25706 3316 1 8 . 1 1 41 41 ARG C C 41 176.791 176.791 176.085 0.706 25706 3317 1 8 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.498 0.729 25706 3318 1 8 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.445 0.424 25706 3319 1 8 . 1 1 41 41 ARG H H 41 8.367 8.367 7.815 0.552 25706 3320 1 8 . 1 1 42 42 GLY N N 42 110.418 110.418 109.021 1.397 25706 3321 1 8 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.240 0.107 25706 3322 1 8 . 1 1 42 42 GLY H H 42 8.538 8.538 7.710 0.828 25706 3323 1 8 . 1 1 44 44 GLY C C 44 174.487 174.487 173.922 0.565 25706 3324 1 8 . 1 1 45 45 SER N N 45 115.788 115.788 118.563 -2.775 25706 3325 1 8 . 1 1 45 45 SER HA H 45 4.515 4.515 4.627 -0.112 25706 3326 1 8 . 1 1 45 45 SER C C 45 175.337 175.337 174.973 0.364 25706 3327 1 8 . 1 1 45 45 SER CA C 45 58.590 58.590 57.415 1.175 25706 3328 1 8 . 1 1 45 45 SER CB C 45 63.920 63.920 64.446 -0.526 25706 3329 1 8 . 1 1 45 45 SER H H 45 8.422 8.422 8.454 -0.032 25706 3330 1 8 . 1 1 46 46 GLY N N 46 111.003 111.003 109.106 1.897 25706 3331 1 8 . 1 1 46 46 GLY C C 46 174.837 174.837 174.603 0.234 25706 3332 1 8 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.309 1.188 25706 3333 1 8 . 1 1 46 46 GLY H H 46 8.600 8.600 8.549 0.051 25706 3334 1 8 . 1 1 47 47 GLY N N 47 108.933 108.933 108.449 0.484 25706 3335 1 8 . 1 1 47 47 GLY C C 47 174.864 174.864 175.137 -0.273 25706 3336 1 8 . 1 1 47 47 GLY H H 47 8.398 8.398 8.526 -0.128 25706 3337 1 8 . 1 1 48 48 GLY N N 48 108.905 108.905 109.297 -0.392 25706 3338 1 8 . 1 1 48 48 GLY C C 48 174.496 174.496 174.343 0.153 25706 3339 1 8 . 1 1 48 48 GLY H H 48 8.418 8.418 7.975 0.443 25706 3340 1 8 . 1 1 49 49 SER N N 49 115.575 115.575 115.484 0.091 25706 3341 1 8 . 1 1 49 49 SER HA H 49 4.439 4.439 4.236 0.203 25706 3342 1 8 . 1 1 49 49 SER C C 49 174.539 174.539 174.841 -0.302 25706 3343 1 8 . 1 1 49 49 SER CA C 49 58.826 58.826 58.253 0.573 25706 3344 1 8 . 1 1 49 49 SER CB C 49 64.100 64.100 63.671 0.429 25706 3345 1 8 . 1 1 49 49 SER H H 49 8.292 8.292 8.285 0.007 25706 3346 1 8 . 1 1 50 50 MET N N 50 121.907 121.907 119.035 2.872 25706 3347 1 8 . 1 1 50 50 MET HA H 50 4.445 4.445 4.146 0.299 25706 3348 1 8 . 1 1 50 50 MET C C 50 175.456 175.456 174.657 0.799 25706 3349 1 8 . 1 1 50 50 MET CA C 50 55.951 55.951 55.579 0.372 25706 3350 1 8 . 1 1 50 50 MET CB C 50 33.967 33.967 31.632 2.335 25706 3351 1 8 . 1 1 50 50 MET H H 50 8.310 8.310 8.369 -0.059 25706 3352 1 8 . 1 1 51 51 ASP N N 51 122.904 122.904 119.780 3.124 25706 3353 1 8 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.574 0.067 25706 3354 1 8 . 1 1 51 51 ASP C C 51 176.239 176.239 177.229 -0.990 25706 3355 1 8 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.055 -0.544 25706 3356 1 8 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.747 -1.234 25706 3357 1 8 . 1 1 51 51 ASP H H 51 8.506 8.506 8.010 0.496 25706 3358 1 8 . 1 1 52 52 ALA N N 52 123.354 123.354 129.363 -6.009 25706 3359 1 8 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.003 -0.157 25706 3360 1 8 . 1 1 52 52 ALA C C 52 178.517 178.517 179.199 -0.682 25706 3361 1 8 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.095 0.503 25706 3362 1 8 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.839 -0.222 25706 3363 1 8 . 1 1 52 52 ALA H H 52 8.506 8.506 8.680 -0.174 25706 3364 1 8 . 1 1 53 53 LYS N N 53 117.034 117.034 118.474 -1.440 25706 3365 1 8 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.024 -0.426 25706 3366 1 8 . 1 1 53 53 LYS C C 53 179.171 179.171 178.689 0.482 25706 3367 1 8 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.411 0.991 25706 3368 1 8 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.748 0.310 25706 3369 1 8 . 1 1 53 53 LYS H H 53 8.407 8.407 8.262 0.145 25706 3370 1 8 . 1 1 54 54 GLU N N 54 123.212 123.212 119.091 4.121 25706 3371 1 8 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.146 -0.073 25706 3372 1 8 . 1 1 54 54 GLU C C 54 178.526 178.526 178.878 -0.352 25706 3373 1 8 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.135 0.609 25706 3374 1 8 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.113 0.225 25706 3375 1 8 . 1 1 54 54 GLU H H 54 8.005 8.005 8.424 -0.419 25706 3376 1 8 . 1 1 55 55 ILE N N 55 119.567 119.567 120.900 -1.333 25706 3377 1 8 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.731 -0.302 25706 3378 1 8 . 1 1 55 55 ILE C C 55 177.999 177.999 178.172 -0.173 25706 3379 1 8 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.666 -0.054 25706 3380 1 8 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.868 0.843 25706 3381 1 8 . 1 1 55 55 ILE H H 55 8.088 8.088 8.004 0.084 25706 3382 1 8 . 1 1 56 56 LEU N N 56 116.646 116.646 120.305 -3.659 25706 3383 1 8 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.136 -0.132 25706 3384 1 8 . 1 1 56 56 LEU C C 56 178.636 178.636 179.619 -0.983 25706 3385 1 8 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.168 -0.104 25706 3386 1 8 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.321 2.623 25706 3387 1 8 . 1 1 56 56 LEU H H 56 8.477 8.477 8.550 -0.073 25706 3388 1 8 . 1 1 57 57 THR N N 57 117.148 117.148 115.893 1.255 25706 3389 1 8 . 1 1 57 57 THR HA H 57 3.833 3.833 3.993 -0.160 25706 3390 1 8 . 1 1 57 57 THR C C 57 175.836 175.836 177.214 -1.378 25706 3391 1 8 . 1 1 57 57 THR CA C 57 67.615 67.615 67.045 0.570 25706 3392 1 8 . 1 1 57 57 THR CB C 57 68.860 68.860 68.499 0.361 25706 3393 1 8 . 1 1 57 57 THR H H 57 8.260 8.260 8.506 -0.246 25706 3394 1 8 . 1 1 58 58 ARG N N 58 120.818 120.818 121.297 -0.479 25706 3395 1 8 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.048 0.200 25706 3396 1 8 . 1 1 58 58 ARG C C 58 179.476 179.476 178.493 0.983 25706 3397 1 8 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.578 -0.303 25706 3398 1 8 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.160 0.388 25706 3399 1 8 . 1 1 58 58 ARG H H 58 8.202 8.202 8.166 0.036 25706 3400 1 8 . 1 1 59 59 PHE N N 59 119.668 119.668 121.623 -1.955 25706 3401 1 8 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.474 0.274 25706 3402 1 8 . 1 1 59 59 PHE C C 59 178.260 178.260 177.703 0.557 25706 3403 1 8 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.853 -0.576 25706 3404 1 8 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.209 0.011 25706 3405 1 8 . 1 1 59 59 PHE H H 59 8.615 8.615 8.718 -0.103 25706 3406 1 8 . 1 1 60 60 LYS N N 60 123.687 123.687 118.212 5.475 25706 3407 1 8 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.813 -0.326 25706 3408 1 8 . 1 1 60 60 LYS C C 60 177.801 177.801 178.092 -0.291 25706 3409 1 8 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.051 0.774 25706 3410 1 8 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.174 0.242 25706 3411 1 8 . 1 1 60 60 LYS H H 60 8.800 8.800 8.411 0.389 25706 3412 1 8 . 1 1 61 61 ASP N N 61 116.083 116.083 116.668 -0.585 25706 3413 1 8 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.529 0.064 25706 3414 1 8 . 1 1 61 61 ASP C C 61 177.052 177.052 176.597 0.455 25706 3415 1 8 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.382 0.537 25706 3416 1 8 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.625 -0.619 25706 3417 1 8 . 1 1 61 61 ASP H H 61 8.107 8.107 7.724 0.383 25706 3418 1 8 . 1 1 62 62 GLY N N 62 107.294 107.294 106.135 1.159 25706 3419 1 8 . 1 1 62 62 GLY C C 62 175.018 175.018 175.552 -0.534 25706 3420 1 8 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.228 0.156 25706 3421 1 8 . 1 1 62 62 GLY H H 62 7.625 7.625 7.441 0.184 25706 3422 1 8 . 1 1 63 63 GLY N N 63 109.718 109.718 107.690 2.028 25706 3423 1 8 . 1 1 63 63 GLY C C 63 173.393 173.393 173.034 0.359 25706 3424 1 8 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.775 0.962 25706 3425 1 8 . 1 1 63 63 GLY H H 63 8.687 8.687 8.311 0.376 25706 3426 1 8 . 1 1 64 64 LEU N N 64 119.332 119.332 118.812 0.520 25706 3427 1 8 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.790 -0.072 25706 3428 1 8 . 1 1 64 64 LEU C C 64 175.357 175.357 174.481 0.876 25706 3429 1 8 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.161 -0.224 25706 3430 1 8 . 1 1 64 64 LEU CB C 64 47.077 47.077 46.264 0.813 25706 3431 1 8 . 1 1 64 64 LEU H H 64 7.034 7.034 7.258 -0.224 25706 3432 1 8 . 1 1 65 65 ASP N N 65 121.569 121.569 123.839 -2.270 25706 3433 1 8 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.859 -0.066 25706 3434 1 8 . 1 1 65 65 ASP C C 65 175.652 175.652 177.342 -1.690 25706 3435 1 8 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.015 -1.138 25706 3436 1 8 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.750 -0.932 25706 3437 1 8 . 1 1 65 65 ASP H H 65 8.287 8.287 8.669 -0.382 25706 3438 1 8 . 1 1 66 66 ARG N N 66 120.199 120.199 122.820 -2.621 25706 3439 1 8 . 1 1 66 66 ARG HA H 66 3.755 3.755 4.141 -0.386 25706 3440 1 8 . 1 1 66 66 ARG C C 66 177.271 177.271 177.851 -0.580 25706 3441 1 8 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.897 0.667 25706 3442 1 8 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.232 0.617 25706 3443 1 8 . 1 1 66 66 ARG H H 66 8.860 8.860 8.809 0.051 25706 3444 1 8 . 1 1 67 67 ALA N N 67 120.212 120.212 121.113 -0.901 25706 3445 1 8 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.193 -0.109 25706 3446 1 8 . 1 1 67 67 ALA C C 67 181.015 181.015 179.629 1.386 25706 3447 1 8 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.811 0.365 25706 3448 1 8 . 1 1 67 67 ALA CB C 67 17.841 17.841 17.983 -0.142 25706 3449 1 8 . 1 1 67 67 ALA H H 67 8.339 8.339 8.586 -0.247 25706 3450 1 8 . 1 1 68 68 ALA N N 68 122.433 122.433 121.438 0.995 25706 3451 1 8 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.193 -0.038 25706 3452 1 8 . 1 1 68 68 ALA C C 68 180.071 180.071 179.498 0.573 25706 3453 1 8 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.616 0.334 25706 3454 1 8 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.270 0.977 25706 3455 1 8 . 1 1 68 68 ALA H H 68 8.184 8.184 8.326 -0.142 25706 3456 1 8 . 1 1 69 69 ALA N N 69 119.845 119.845 121.454 -1.609 25706 3457 1 8 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.905 -0.073 25706 3458 1 8 . 1 1 69 69 ALA C C 69 178.826 178.826 179.736 -0.910 25706 3459 1 8 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.180 0.350 25706 3460 1 8 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.954 0.023 25706 3461 1 8 . 1 1 69 69 ALA H H 69 8.511 8.511 8.560 -0.049 25706 3462 1 8 . 1 1 70 70 GLN N N 70 116.137 116.137 118.218 -2.081 25706 3463 1 8 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.849 -0.249 25706 3464 1 8 . 1 1 70 70 GLN C C 70 177.832 177.832 178.486 -0.654 25706 3465 1 8 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.779 1.271 25706 3466 1 8 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.627 -0.452 25706 3467 1 8 . 1 1 70 70 GLN H H 70 8.528 8.528 8.288 0.240 25706 3468 1 8 . 1 1 71 71 ALA N N 71 120.118 120.118 123.201 -3.083 25706 3469 1 8 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.002 0.061 25706 3470 1 8 . 1 1 71 71 ALA C C 71 180.495 180.495 179.627 0.868 25706 3471 1 8 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.237 -0.059 25706 3472 1 8 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.499 -0.603 25706 3473 1 8 . 1 1 71 71 ALA H H 71 7.625 7.625 7.802 -0.177 25706 3474 1 8 . 1 1 72 72 LEU N N 72 117.959 117.959 119.208 -1.249 25706 3475 1 8 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.137 0.036 25706 3476 1 8 . 1 1 72 72 LEU C C 72 180.674 180.674 179.584 1.090 25706 3477 1 8 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.406 0.148 25706 3478 1 8 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.343 1.424 25706 3479 1 8 . 1 1 72 72 LEU H H 72 8.068 8.068 8.232 -0.164 25706 3480 1 8 . 1 1 73 73 LEU N N 73 119.237 119.237 117.539 1.698 25706 3481 1 8 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.013 0.101 25706 3482 1 8 . 1 1 73 73 LEU C C 73 177.691 177.691 178.523 -0.832 25706 3483 1 8 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.132 -0.408 25706 3484 1 8 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.843 0.746 25706 3485 1 8 . 1 1 73 73 LEU H H 73 8.251 8.251 7.956 0.295 25706 3486 1 8 . 1 1 74 74 ALA N N 74 120.421 120.421 118.030 2.391 25706 3487 1 8 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.325 -0.037 25706 3488 1 8 . 1 1 74 74 ALA C C 74 178.222 178.222 177.798 0.424 25706 3489 1 8 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.205 0.656 25706 3490 1 8 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.394 -0.196 25706 3491 1 8 . 1 1 74 74 ALA H H 74 7.765 7.765 7.706 0.059 25706 3492 1 8 . 1 1 75 75 GLY N N 75 106.485 106.485 106.080 0.405 25706 3493 1 8 . 1 1 75 75 GLY C C 75 174.299 174.299 174.248 0.051 25706 3494 1 8 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.145 0.642 25706 3495 1 8 . 1 1 75 75 GLY H H 75 7.895 7.895 7.536 0.359 25706 3496 1 8 . 1 1 76 76 ARG N N 76 119.703 119.703 118.490 1.213 25706 3497 1 8 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.769 -0.267 25706 3498 1 8 . 1 1 76 76 ARG C C 76 175.750 175.750 175.000 0.750 25706 3499 1 8 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.740 1.667 25706 3500 1 8 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.701 -1.398 25706 3501 1 8 . 1 1 76 76 ARG H H 76 8.110 8.110 8.249 -0.139 25706 3502 1 8 . 1 1 77 77 THR N N 77 116.771 116.771 113.585 3.186 25706 3503 1 8 . 1 1 77 77 THR HA H 77 4.582 4.582 4.470 0.113 25706 3504 1 8 . 1 1 77 77 THR CA C 77 59.920 59.920 60.048 -0.128 25706 3505 1 8 . 1 1 77 77 THR CB C 77 69.810 69.810 68.727 1.083 25706 3506 1 8 . 1 1 77 77 THR H H 77 8.181 8.181 8.295 -0.114 25706 3507 1 8 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.187 0.181 25706 3508 1 8 . 1 1 78 78 PRO C C 78 176.366 176.366 176.948 -0.582 25706 3509 1 8 . 1 1 78 78 PRO CA C 78 63.154 63.154 63.201 -0.047 25706 3510 1 8 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.059 0.049 25706 3511 1 8 . 1 1 79 79 ALA N N 79 124.715 124.715 126.312 -1.597 25706 3512 1 8 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.294 -0.048 25706 3513 1 8 . 1 1 79 79 ALA C C 79 177.314 177.314 176.727 0.587 25706 3514 1 8 . 1 1 79 79 ALA CA C 79 52.398 52.398 52.106 0.292 25706 3515 1 8 . 1 1 79 79 ALA CB C 79 19.306 19.306 19.327 -0.021 25706 3516 1 8 . 1 1 79 79 ALA H H 79 8.417 8.417 8.230 0.187 25706 3517 1 8 . 1 1 80 80 ALA N N 80 123.467 123.467 122.301 1.166 25706 3518 1 8 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.399 -0.109 25706 3519 1 8 . 1 1 80 80 ALA C C 80 177.000 177.000 176.584 0.416 25706 3520 1 8 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.247 0.763 25706 3521 1 8 . 1 1 80 80 ALA CB C 80 19.447 19.447 20.214 -0.767 25706 3522 1 8 . 1 1 80 80 ALA H H 80 8.232 8.232 8.217 0.015 25706 3523 1 8 . 1 1 81 81 ALA N N 81 125.029 125.029 124.065 0.964 25706 3524 1 8 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.563 -0.001 25706 3525 1 8 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.807 -0.376 25706 3526 1 8 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.907 0.573 25706 3527 1 8 . 1 1 81 81 ALA H H 81 8.250 8.250 8.428 -0.178 25706 3528 1 8 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.470 -0.058 25706 3529 1 8 . 1 1 82 82 PRO C C 82 176.531 176.531 176.137 0.394 25706 3530 1 8 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.721 0.277 25706 3531 1 8 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.397 1.686 25706 3532 1 8 . 1 1 83 83 ARG N N 83 122.956 122.956 121.433 1.523 25706 3533 1 8 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.558 0.053 25706 3534 1 8 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.533 -0.755 25706 3535 1 8 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.172 1.070 25706 3536 1 8 . 1 1 83 83 ARG H H 83 8.384 8.384 7.689 0.696 25706 3537 1 9 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.520 -0.048 25706 3538 1 9 . 1 1 2 2 PRO C C 2 177.459 177.459 176.897 0.562 25706 3539 1 9 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.848 0.726 25706 3540 1 9 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.337 -0.191 25706 3541 1 9 . 1 1 3 3 GLY N N 3 109.882 109.882 110.018 -0.136 25706 3542 1 9 . 1 1 3 3 GLY C C 3 174.103 174.103 173.489 0.614 25706 3543 1 9 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.264 1.008 25706 3544 1 9 . 1 1 3 3 GLY H H 3 8.645 8.645 8.269 0.376 25706 3545 1 9 . 1 1 4 4 SER N N 4 115.534 115.534 115.090 0.444 25706 3546 1 9 . 1 1 4 4 SER HA H 4 4.438 4.438 4.513 -0.075 25706 3547 1 9 . 1 1 4 4 SER C C 4 174.137 174.137 173.143 0.994 25706 3548 1 9 . 1 1 4 4 SER CA C 4 58.319 58.319 57.869 0.450 25706 3549 1 9 . 1 1 4 4 SER CB C 4 63.864 63.864 64.198 -0.334 25706 3550 1 9 . 1 1 4 4 SER H H 4 8.127 8.127 7.821 0.306 25706 3551 1 9 . 1 1 5 5 TYR N N 5 122.533 122.533 123.499 -0.966 25706 3552 1 9 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.756 -0.086 25706 3553 1 9 . 1 1 5 5 TYR C C 5 176.109 176.109 175.646 0.463 25706 3554 1 9 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.079 0.036 25706 3555 1 9 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.486 -0.631 25706 3556 1 9 . 1 1 5 5 TYR H H 5 8.349 8.349 8.549 -0.200 25706 3557 1 9 . 1 1 6 6 THR N N 6 116.290 116.290 118.593 -2.303 25706 3558 1 9 . 1 1 6 6 THR HA H 6 4.305 4.305 4.689 -0.384 25706 3559 1 9 . 1 1 6 6 THR C C 6 174.899 174.899 174.536 0.363 25706 3560 1 9 . 1 1 6 6 THR CA C 6 61.743 61.743 61.973 -0.230 25706 3561 1 9 . 1 1 6 6 THR CB C 6 69.859 69.859 70.520 -0.661 25706 3562 1 9 . 1 1 6 6 THR H H 6 8.177 8.177 8.207 -0.030 25706 3563 1 9 . 1 1 7 7 GLY N N 7 110.576 110.576 111.745 -1.169 25706 3564 1 9 . 1 1 7 7 GLY C C 7 173.596 173.596 173.604 -0.008 25706 3565 1 9 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.575 0.772 25706 3566 1 9 . 1 1 7 7 GLY H H 7 7.646 7.646 8.397 -0.751 25706 3567 1 9 . 1 1 8 8 ALA N N 8 123.499 123.499 122.909 0.590 25706 3568 1 9 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.363 -0.008 25706 3569 1 9 . 1 1 8 8 ALA C C 8 178.119 178.119 178.263 -0.144 25706 3570 1 9 . 1 1 8 8 ALA CA C 8 52.547 52.547 51.852 0.695 25706 3571 1 9 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.691 -0.304 25706 3572 1 9 . 1 1 8 8 ALA H H 8 8.171 8.171 8.472 -0.301 25706 3573 1 9 . 1 1 9 9 GLY N N 9 108.467 108.467 109.243 -0.776 25706 3574 1 9 . 1 1 9 9 GLY C C 9 173.664 173.664 173.708 -0.044 25706 3575 1 9 . 1 1 9 9 GLY CA C 9 45.129 45.129 45.065 0.064 25706 3576 1 9 . 1 1 9 9 GLY H H 9 8.398 8.398 8.535 -0.137 25706 3577 1 9 . 1 1 10 10 GLU N N 10 121.535 121.535 123.646 -2.111 25706 3578 1 9 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.612 -0.015 25706 3579 1 9 . 1 1 10 10 GLU CA C 10 54.252 54.252 53.606 0.646 25706 3580 1 9 . 1 1 10 10 GLU CB C 10 29.959 29.959 31.723 -1.764 25706 3581 1 9 . 1 1 10 10 GLU H H 10 8.230 8.230 8.307 -0.077 25706 3582 1 9 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.498 -0.044 25706 3583 1 9 . 1 1 11 11 PRO C C 11 176.799 176.799 176.147 0.652 25706 3584 1 9 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.642 0.660 25706 3585 1 9 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.758 -0.734 25706 3586 1 9 . 1 1 12 12 SER N N 12 117.122 117.122 116.176 0.946 25706 3587 1 9 . 1 1 12 12 SER HA H 12 4.469 4.469 4.464 0.005 25706 3588 1 9 . 1 1 12 12 SER C C 12 174.904 174.904 176.536 -1.632 25706 3589 1 9 . 1 1 12 12 SER CA C 12 57.876 57.876 57.123 0.752 25706 3590 1 9 . 1 1 12 12 SER CB C 12 64.624 64.624 64.522 0.102 25706 3591 1 9 . 1 1 12 12 SER H H 12 8.721 8.721 8.817 -0.096 25706 3592 1 9 . 1 1 13 13 GLN N N 13 121.678 121.678 125.186 -3.508 25706 3593 1 9 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.051 0.069 25706 3594 1 9 . 1 1 13 13 GLN C C 13 178.113 178.113 177.039 1.074 25706 3595 1 9 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.599 -0.742 25706 3596 1 9 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.289 0.453 25706 3597 1 9 . 1 1 13 13 GLN H H 13 8.660 8.660 8.988 -0.328 25706 3598 1 9 . 1 1 14 14 ALA N N 14 122.557 122.557 121.917 0.640 25706 3599 1 9 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.144 0.064 25706 3600 1 9 . 1 1 14 14 ALA C C 14 179.168 179.168 178.983 0.185 25706 3601 1 9 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.837 -0.774 25706 3602 1 9 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.388 0.586 25706 3603 1 9 . 1 1 14 14 ALA H H 14 8.251 8.251 7.772 0.479 25706 3604 1 9 . 1 1 15 15 ASP N N 15 120.191 120.191 120.533 -0.342 25706 3605 1 9 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.396 0.099 25706 3606 1 9 . 1 1 15 15 ASP C C 15 178.121 178.121 178.556 -0.435 25706 3607 1 9 . 1 1 15 15 ASP CA C 15 55.503 55.503 57.187 -1.684 25706 3608 1 9 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.332 0.253 25706 3609 1 9 . 1 1 15 15 ASP H H 15 8.049 8.049 7.512 0.537 25706 3610 1 9 . 1 1 16 16 LEU N N 16 122.661 122.661 120.386 2.275 25706 3611 1 9 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.889 0.114 25706 3612 1 9 . 1 1 16 16 LEU C C 16 178.320 178.320 178.568 -0.248 25706 3613 1 9 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.992 -0.257 25706 3614 1 9 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.856 0.061 25706 3615 1 9 . 1 1 16 16 LEU H H 16 8.258 8.258 8.041 0.217 25706 3616 1 9 . 1 1 17 17 ASP N N 17 119.364 119.364 118.762 0.602 25706 3617 1 9 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.194 0.049 25706 3618 1 9 . 1 1 17 17 ASP C C 17 178.534 178.534 177.759 0.775 25706 3619 1 9 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.407 0.688 25706 3620 1 9 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.813 0.642 25706 3621 1 9 . 1 1 17 17 ASP H H 17 8.299 8.299 8.118 0.181 25706 3622 1 9 . 1 1 18 18 ALA N N 18 121.057 121.057 121.829 -0.772 25706 3623 1 9 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.166 -0.041 25706 3624 1 9 . 1 1 18 18 ALA C C 18 180.942 180.942 179.576 1.366 25706 3625 1 9 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.014 -0.067 25706 3626 1 9 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.483 -0.266 25706 3627 1 9 . 1 1 18 18 ALA H H 18 7.851 7.851 7.619 0.232 25706 3628 1 9 . 1 1 19 19 LEU N N 19 122.159 122.159 119.613 2.546 25706 3629 1 9 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.054 -0.079 25706 3630 1 9 . 1 1 19 19 LEU C C 19 178.447 178.447 178.718 -0.271 25706 3631 1 9 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.618 1.196 25706 3632 1 9 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.214 0.159 25706 3633 1 9 . 1 1 19 19 LEU H H 19 7.941 7.941 7.575 0.366 25706 3634 1 9 . 1 1 20 20 LEU N N 20 119.065 119.065 119.274 -0.209 25706 3635 1 9 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.850 -0.140 25706 3636 1 9 . 1 1 20 20 LEU C C 20 179.763 179.763 179.049 0.714 25706 3637 1 9 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.250 0.147 25706 3638 1 9 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.369 -1.503 25706 3639 1 9 . 1 1 20 20 LEU H H 20 8.454 8.454 8.595 -0.141 25706 3640 1 9 . 1 1 21 21 SER N N 21 115.603 115.603 114.782 0.821 25706 3641 1 9 . 1 1 21 21 SER HA H 21 4.199 4.199 4.117 0.082 25706 3642 1 9 . 1 1 21 21 SER C C 21 175.002 175.002 176.045 -1.043 25706 3643 1 9 . 1 1 21 21 SER CA C 21 62.502 62.502 61.529 0.973 25706 3644 1 9 . 1 1 21 21 SER CB C 21 62.806 62.806 63.065 -0.259 25706 3645 1 9 . 1 1 21 21 SER H H 21 8.248 8.248 8.105 0.143 25706 3646 1 9 . 1 1 22 22 ALA N N 22 123.437 123.437 124.146 -0.709 25706 3647 1 9 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.206 -0.140 25706 3648 1 9 . 1 1 22 22 ALA C C 22 180.273 180.273 178.838 1.435 25706 3649 1 9 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.962 0.525 25706 3650 1 9 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.355 -0.124 25706 3651 1 9 . 1 1 22 22 ALA H H 22 7.982 7.982 7.641 0.341 25706 3652 1 9 . 1 1 23 23 VAL N N 23 119.580 119.580 118.803 0.777 25706 3653 1 9 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.135 0.098 25706 3654 1 9 . 1 1 23 23 VAL C C 23 180.144 180.144 178.357 1.787 25706 3655 1 9 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.438 1.036 25706 3656 1 9 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.897 0.314 25706 3657 1 9 . 1 1 23 23 VAL H H 23 8.382 8.382 7.794 0.588 25706 3658 1 9 . 1 1 24 24 ARG N N 24 122.585 122.585 121.075 1.510 25706 3659 1 9 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.135 -0.214 25706 3660 1 9 . 1 1 24 24 ARG C C 24 177.169 177.169 177.590 -0.421 25706 3661 1 9 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.418 1.096 25706 3662 1 9 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.165 -0.270 25706 3663 1 9 . 1 1 24 24 ARG H H 24 8.589 8.589 8.419 0.170 25706 3664 1 9 . 1 1 25 25 ASP N N 25 115.538 115.538 117.101 -1.563 25706 3665 1 9 . 1 1 25 25 ASP C C 25 175.579 175.579 175.496 0.083 25706 3666 1 9 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.450 0.903 25706 3667 1 9 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.713 0.002 25706 3668 1 9 . 1 1 25 25 ASP H H 25 8.083 8.083 7.874 0.209 25706 3669 1 9 . 1 1 26 26 ASN N N 26 113.668 113.668 114.866 -1.198 25706 3670 1 9 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.396 0.096 25706 3671 1 9 . 1 1 26 26 ASN C C 26 174.953 174.953 175.775 -0.822 25706 3672 1 9 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.433 0.790 25706 3673 1 9 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.634 -0.183 25706 3674 1 9 . 1 1 26 26 ASN H H 26 7.860 7.860 7.776 0.084 25706 3675 1 9 . 1 1 27 27 ARG N N 27 117.078 117.078 116.471 0.607 25706 3676 1 9 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.321 -0.018 25706 3677 1 9 . 1 1 27 27 ARG C C 27 176.011 176.011 176.526 -0.515 25706 3678 1 9 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.485 1.097 25706 3679 1 9 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.002 0.372 25706 3680 1 9 . 1 1 27 27 ARG H H 27 8.700 8.700 8.368 0.332 25706 3681 1 9 . 1 1 28 28 LEU N N 28 119.538 119.538 121.415 -1.877 25706 3682 1 9 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.623 0.003 25706 3683 1 9 . 1 1 28 28 LEU C C 28 175.563 175.563 175.738 -0.175 25706 3684 1 9 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.194 0.209 25706 3685 1 9 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.139 2.580 25706 3686 1 9 . 1 1 28 28 LEU H H 28 7.101 7.101 7.788 -0.687 25706 3687 1 9 . 1 1 29 29 SER N N 29 119.714 119.714 120.114 -0.400 25706 3688 1 9 . 1 1 29 29 SER HA H 29 4.512 4.512 4.648 -0.136 25706 3689 1 9 . 1 1 29 29 SER C C 29 174.769 174.769 175.875 -1.106 25706 3690 1 9 . 1 1 29 29 SER CA C 29 56.883 56.883 57.073 -0.190 25706 3691 1 9 . 1 1 29 29 SER CB C 29 65.067 65.067 64.955 0.112 25706 3692 1 9 . 1 1 29 29 SER H H 29 8.885 8.885 8.546 0.339 25706 3693 1 9 . 1 1 30 30 ILE N N 30 121.990 121.990 124.557 -2.567 25706 3694 1 9 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.721 -0.157 25706 3695 1 9 . 1 1 30 30 ILE C C 30 177.419 177.419 177.995 -0.576 25706 3696 1 9 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.759 0.947 25706 3697 1 9 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.263 -0.131 25706 3698 1 9 . 1 1 30 30 ILE H H 30 8.953 8.953 8.851 0.102 25706 3699 1 9 . 1 1 31 31 GLU N N 31 117.222 117.222 118.174 -0.952 25706 3700 1 9 . 1 1 31 31 GLU HA H 31 3.863 3.863 3.985 -0.122 25706 3701 1 9 . 1 1 31 31 GLU C C 31 179.559 179.559 178.664 0.895 25706 3702 1 9 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.153 1.361 25706 3703 1 9 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.117 -0.071 25706 3704 1 9 . 1 1 31 31 GLU H H 31 8.669 8.669 8.745 -0.076 25706 3705 1 9 . 1 1 32 32 GLN N N 32 118.595 118.595 119.076 -0.481 25706 3706 1 9 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.157 -0.112 25706 3707 1 9 . 1 1 32 32 GLN C C 32 179.113 179.113 178.234 0.879 25706 3708 1 9 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.297 0.204 25706 3709 1 9 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.096 1.190 25706 3710 1 9 . 1 1 32 32 GLN H H 32 7.949 7.949 8.253 -0.304 25706 3711 1 9 . 1 1 33 33 ALA N N 33 123.062 123.062 122.337 0.725 25706 3712 1 9 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.114 -0.201 25706 3713 1 9 . 1 1 33 33 ALA C C 33 178.918 178.918 180.018 -1.100 25706 3714 1 9 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.106 0.432 25706 3715 1 9 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.215 0.930 25706 3716 1 9 . 1 1 33 33 ALA H H 33 8.520 8.520 8.513 0.007 25706 3717 1 9 . 1 1 34 34 VAL N N 34 115.551 115.551 118.186 -2.635 25706 3718 1 9 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.778 -0.395 25706 3719 1 9 . 1 1 34 34 VAL C C 34 179.013 179.013 177.733 1.280 25706 3720 1 9 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.279 0.752 25706 3721 1 9 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.055 0.520 25706 3722 1 9 . 1 1 34 34 VAL H H 34 8.469 8.469 7.510 0.959 25706 3723 1 9 . 1 1 35 35 THR N N 35 114.806 114.806 116.410 -1.604 25706 3724 1 9 . 1 1 35 35 THR HA H 35 4.012 4.012 4.347 -0.335 25706 3725 1 9 . 1 1 35 35 THR C C 35 176.151 176.151 176.669 -0.518 25706 3726 1 9 . 1 1 35 35 THR CA C 35 65.944 65.944 66.081 -0.137 25706 3727 1 9 . 1 1 35 35 THR CB C 35 68.902 68.902 68.662 0.240 25706 3728 1 9 . 1 1 35 35 THR H H 35 7.598 7.598 8.101 -0.503 25706 3729 1 9 . 1 1 36 36 LEU N N 36 120.922 120.922 120.306 0.616 25706 3730 1 9 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.166 0.017 25706 3731 1 9 . 1 1 36 36 LEU C C 36 177.940 177.940 178.040 -0.100 25706 3732 1 9 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.853 -0.243 25706 3733 1 9 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.072 0.205 25706 3734 1 9 . 1 1 36 36 LEU H H 36 7.516 7.516 8.093 -0.577 25706 3735 1 9 . 1 1 37 37 LEU N N 37 118.066 118.066 119.671 -1.605 25706 3736 1 9 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.210 0.127 25706 3737 1 9 . 1 1 37 37 LEU C C 37 177.013 177.013 176.898 0.115 25706 3738 1 9 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.900 -2.023 25706 3739 1 9 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.484 -0.463 25706 3740 1 9 . 1 1 37 37 LEU H H 37 7.444 7.444 7.397 0.047 25706 3741 1 9 . 1 1 38 38 THR N N 38 116.689 116.689 113.605 3.084 25706 3742 1 9 . 1 1 38 38 THR HA H 38 4.469 4.469 4.754 -0.285 25706 3743 1 9 . 1 1 38 38 THR CA C 38 61.736 61.736 59.687 2.049 25706 3744 1 9 . 1 1 38 38 THR CB C 38 69.544 69.544 70.376 -0.832 25706 3745 1 9 . 1 1 38 38 THR H H 38 7.925 7.925 8.033 -0.108 25706 3746 1 9 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.351 0.122 25706 3747 1 9 . 1 1 39 39 PRO C C 39 177.055 177.055 176.409 0.646 25706 3748 1 9 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.873 0.632 25706 3749 1 9 . 1 1 39 39 PRO CB C 39 32.140 32.140 31.093 1.047 25706 3750 1 9 . 1 1 40 40 ARG N N 40 120.701 120.701 123.813 -3.112 25706 3751 1 9 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.371 -0.064 25706 3752 1 9 . 1 1 40 40 ARG C C 40 176.527 176.527 176.452 0.075 25706 3753 1 9 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.298 0.009 25706 3754 1 9 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.834 -0.037 25706 3755 1 9 . 1 1 40 40 ARG H H 40 8.384 8.384 8.159 0.225 25706 3756 1 9 . 1 1 41 41 ARG N N 41 121.467 121.467 121.867 -0.400 25706 3757 1 9 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.412 -0.031 25706 3758 1 9 . 1 1 41 41 ARG C C 41 176.791 176.791 176.952 -0.161 25706 3759 1 9 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.543 0.684 25706 3760 1 9 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.299 0.570 25706 3761 1 9 . 1 1 41 41 ARG H H 41 8.367 8.367 8.761 -0.394 25706 3762 1 9 . 1 1 42 42 GLY N N 42 110.418 110.418 109.524 0.894 25706 3763 1 9 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.976 0.371 25706 3764 1 9 . 1 1 42 42 GLY H H 42 8.538 8.538 7.822 0.716 25706 3765 1 9 . 1 1 44 44 GLY C C 44 174.487 174.487 174.216 0.271 25706 3766 1 9 . 1 1 45 45 SER N N 45 115.788 115.788 117.551 -1.763 25706 3767 1 9 . 1 1 45 45 SER HA H 45 4.515 4.515 4.529 -0.014 25706 3768 1 9 . 1 1 45 45 SER C C 45 175.337 175.337 174.402 0.935 25706 3769 1 9 . 1 1 45 45 SER CA C 45 58.590 58.590 58.687 -0.097 25706 3770 1 9 . 1 1 45 45 SER CB C 45 63.920 63.920 63.516 0.404 25706 3771 1 9 . 1 1 45 45 SER H H 45 8.422 8.422 8.338 0.084 25706 3772 1 9 . 1 1 46 46 GLY N N 46 111.003 111.003 111.005 -0.002 25706 3773 1 9 . 1 1 46 46 GLY C C 46 174.837 174.837 172.832 2.005 25706 3774 1 9 . 1 1 46 46 GLY CA C 46 45.497 45.497 45.198 0.299 25706 3775 1 9 . 1 1 46 46 GLY H H 46 8.600 8.600 8.237 0.363 25706 3776 1 9 . 1 1 47 47 GLY N N 47 108.933 108.933 106.971 1.962 25706 3777 1 9 . 1 1 47 47 GLY C C 47 174.864 174.864 172.775 2.089 25706 3778 1 9 . 1 1 47 47 GLY H H 47 8.398 8.398 8.404 -0.006 25706 3779 1 9 . 1 1 48 48 GLY N N 48 108.905 108.905 107.134 1.771 25706 3780 1 9 . 1 1 48 48 GLY C C 48 174.496 174.496 173.549 0.947 25706 3781 1 9 . 1 1 48 48 GLY H H 48 8.418 8.418 8.088 0.330 25706 3782 1 9 . 1 1 49 49 SER N N 49 115.575 115.575 117.613 -2.038 25706 3783 1 9 . 1 1 49 49 SER HA H 49 4.439 4.439 4.550 -0.111 25706 3784 1 9 . 1 1 49 49 SER C C 49 174.539 174.539 175.497 -0.958 25706 3785 1 9 . 1 1 49 49 SER CA C 49 58.826 58.826 59.201 -0.375 25706 3786 1 9 . 1 1 49 49 SER CB C 49 64.100 64.100 63.537 0.563 25706 3787 1 9 . 1 1 49 49 SER H H 49 8.292 8.292 8.497 -0.205 25706 3788 1 9 . 1 1 50 50 MET N N 50 121.907 121.907 120.390 1.517 25706 3789 1 9 . 1 1 50 50 MET HA H 50 4.445 4.445 3.955 0.490 25706 3790 1 9 . 1 1 50 50 MET C C 50 175.456 175.456 175.109 0.347 25706 3791 1 9 . 1 1 50 50 MET CA C 50 55.951 55.951 56.303 -0.352 25706 3792 1 9 . 1 1 50 50 MET CB C 50 33.967 33.967 29.989 3.978 25706 3793 1 9 . 1 1 50 50 MET H H 50 8.310 8.310 9.235 -0.925 25706 3794 1 9 . 1 1 51 51 ASP N N 51 122.904 122.904 119.645 3.259 25706 3795 1 9 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.552 0.089 25706 3796 1 9 . 1 1 51 51 ASP C C 51 176.239 176.239 176.999 -0.760 25706 3797 1 9 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.883 -0.372 25706 3798 1 9 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.050 -1.536 25706 3799 1 9 . 1 1 51 51 ASP H H 51 8.506 8.506 7.627 0.879 25706 3800 1 9 . 1 1 52 52 ALA N N 52 123.354 123.354 128.270 -4.916 25706 3801 1 9 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.005 -0.159 25706 3802 1 9 . 1 1 52 52 ALA C C 52 178.517 178.517 179.438 -0.921 25706 3803 1 9 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.047 0.551 25706 3804 1 9 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.711 -0.094 25706 3805 1 9 . 1 1 52 52 ALA H H 52 8.506 8.506 8.712 -0.206 25706 3806 1 9 . 1 1 53 53 LYS N N 53 117.034 117.034 118.503 -1.469 25706 3807 1 9 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.002 -0.404 25706 3808 1 9 . 1 1 53 53 LYS C C 53 179.171 179.171 178.692 0.479 25706 3809 1 9 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.602 0.800 25706 3810 1 9 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.151 -0.093 25706 3811 1 9 . 1 1 53 53 LYS H H 53 8.407 8.407 8.566 -0.159 25706 3812 1 9 . 1 1 54 54 GLU N N 54 123.212 123.212 119.870 3.342 25706 3813 1 9 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.130 -0.057 25706 3814 1 9 . 1 1 54 54 GLU C C 54 178.526 178.526 179.060 -0.534 25706 3815 1 9 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.319 0.425 25706 3816 1 9 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.440 -0.102 25706 3817 1 9 . 1 1 54 54 GLU H H 54 8.005 8.005 8.126 -0.121 25706 3818 1 9 . 1 1 55 55 ILE N N 55 119.567 119.567 121.170 -1.603 25706 3819 1 9 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.729 -0.300 25706 3820 1 9 . 1 1 55 55 ILE C C 55 177.999 177.999 178.251 -0.252 25706 3821 1 9 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.586 0.026 25706 3822 1 9 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.840 0.871 25706 3823 1 9 . 1 1 55 55 ILE H H 55 8.088 8.088 8.518 -0.430 25706 3824 1 9 . 1 1 56 56 LEU N N 56 116.646 116.646 120.691 -4.045 25706 3825 1 9 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.109 -0.105 25706 3826 1 9 . 1 1 56 56 LEU C C 56 178.636 178.636 179.397 -0.761 25706 3827 1 9 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.539 -0.475 25706 3828 1 9 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.551 2.393 25706 3829 1 9 . 1 1 56 56 LEU H H 56 8.477 8.477 8.364 0.113 25706 3830 1 9 . 1 1 57 57 THR N N 57 117.148 117.148 115.991 1.157 25706 3831 1 9 . 1 1 57 57 THR HA H 57 3.833 3.833 4.010 -0.176 25706 3832 1 9 . 1 1 57 57 THR C C 57 175.836 175.836 176.874 -1.038 25706 3833 1 9 . 1 1 57 57 THR CA C 57 67.615 67.615 67.145 0.470 25706 3834 1 9 . 1 1 57 57 THR CB C 57 68.860 68.860 68.491 0.369 25706 3835 1 9 . 1 1 57 57 THR H H 57 8.260 8.260 8.305 -0.045 25706 3836 1 9 . 1 1 58 58 ARG N N 58 120.818 120.818 121.982 -1.164 25706 3837 1 9 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.006 0.242 25706 3838 1 9 . 1 1 58 58 ARG C C 58 179.476 179.476 178.265 1.211 25706 3839 1 9 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.837 -0.562 25706 3840 1 9 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.110 0.438 25706 3841 1 9 . 1 1 58 58 ARG H H 58 8.202 8.202 8.555 -0.353 25706 3842 1 9 . 1 1 59 59 PHE N N 59 119.668 119.668 121.143 -1.475 25706 3843 1 9 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.469 0.279 25706 3844 1 9 . 1 1 59 59 PHE C C 59 178.260 178.260 177.270 0.990 25706 3845 1 9 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.431 -0.154 25706 3846 1 9 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.333 -0.112 25706 3847 1 9 . 1 1 59 59 PHE H H 59 8.615 8.615 8.384 0.231 25706 3848 1 9 . 1 1 60 60 LYS N N 60 123.687 123.687 117.690 5.997 25706 3849 1 9 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.806 -0.319 25706 3850 1 9 . 1 1 60 60 LYS C C 60 177.801 177.801 178.122 -0.321 25706 3851 1 9 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.691 1.134 25706 3852 1 9 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.265 0.151 25706 3853 1 9 . 1 1 60 60 LYS H H 60 8.800 8.800 8.260 0.540 25706 3854 1 9 . 1 1 61 61 ASP N N 61 116.083 116.083 116.834 -0.751 25706 3855 1 9 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.514 0.079 25706 3856 1 9 . 1 1 61 61 ASP C C 61 177.052 177.052 176.604 0.448 25706 3857 1 9 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.612 0.307 25706 3858 1 9 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.655 -0.649 25706 3859 1 9 . 1 1 61 61 ASP H H 61 8.107 8.107 7.873 0.234 25706 3860 1 9 . 1 1 62 62 GLY N N 62 107.294 107.294 106.048 1.246 25706 3861 1 9 . 1 1 62 62 GLY C C 62 175.018 175.018 175.660 -0.642 25706 3862 1 9 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.039 0.346 25706 3863 1 9 . 1 1 62 62 GLY H H 62 7.625 7.625 7.450 0.175 25706 3864 1 9 . 1 1 63 63 GLY N N 63 109.718 109.718 107.962 1.756 25706 3865 1 9 . 1 1 63 63 GLY C C 63 173.393 173.393 174.150 -0.757 25706 3866 1 9 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.920 0.817 25706 3867 1 9 . 1 1 63 63 GLY H H 63 8.687 8.687 8.193 0.494 25706 3868 1 9 . 1 1 64 64 LEU N N 64 119.332 119.332 120.644 -1.312 25706 3869 1 9 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.692 0.026 25706 3870 1 9 . 1 1 64 64 LEU C C 64 175.357 175.357 175.446 -0.089 25706 3871 1 9 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.189 -0.252 25706 3872 1 9 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.271 1.806 25706 3873 1 9 . 1 1 64 64 LEU H H 64 7.034 7.034 7.235 -0.201 25706 3874 1 9 . 1 1 65 65 ASP N N 65 121.569 121.569 125.273 -3.704 25706 3875 1 9 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.846 -0.053 25706 3876 1 9 . 1 1 65 65 ASP C C 65 175.652 175.652 177.395 -1.743 25706 3877 1 9 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.514 -1.637 25706 3878 1 9 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.803 -0.985 25706 3879 1 9 . 1 1 65 65 ASP H H 65 8.287 8.287 8.674 -0.387 25706 3880 1 9 . 1 1 66 66 ARG N N 66 120.199 120.199 123.175 -2.976 25706 3881 1 9 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.927 -0.172 25706 3882 1 9 . 1 1 66 66 ARG C C 66 177.271 177.271 177.900 -0.629 25706 3883 1 9 . 1 1 66 66 ARG CA C 66 60.564 60.564 60.055 0.509 25706 3884 1 9 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.307 0.542 25706 3885 1 9 . 1 1 66 66 ARG H H 66 8.860 8.860 8.958 -0.098 25706 3886 1 9 . 1 1 67 67 ALA N N 67 120.212 120.212 120.386 -0.174 25706 3887 1 9 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.346 -0.262 25706 3888 1 9 . 1 1 67 67 ALA C C 67 181.015 181.015 179.744 1.271 25706 3889 1 9 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.975 0.201 25706 3890 1 9 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.152 -0.311 25706 3891 1 9 . 1 1 67 67 ALA H H 67 8.339 8.339 8.495 -0.156 25706 3892 1 9 . 1 1 68 68 ALA N N 68 122.433 122.433 120.928 1.505 25706 3893 1 9 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.147 0.008 25706 3894 1 9 . 1 1 68 68 ALA C C 68 180.071 180.071 179.457 0.614 25706 3895 1 9 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.420 0.530 25706 3896 1 9 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.248 0.999 25706 3897 1 9 . 1 1 68 68 ALA H H 68 8.184 8.184 7.605 0.579 25706 3898 1 9 . 1 1 69 69 ALA N N 69 119.845 119.845 121.566 -1.721 25706 3899 1 9 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.878 -0.046 25706 3900 1 9 . 1 1 69 69 ALA C C 69 178.826 178.826 179.730 -0.904 25706 3901 1 9 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.160 0.370 25706 3902 1 9 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.914 0.063 25706 3903 1 9 . 1 1 69 69 ALA H H 69 8.511 8.511 8.509 0.002 25706 3904 1 9 . 1 1 70 70 GLN N N 70 116.137 116.137 118.166 -2.029 25706 3905 1 9 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.817 -0.217 25706 3906 1 9 . 1 1 70 70 GLN C C 70 177.832 177.832 178.509 -0.677 25706 3907 1 9 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.985 1.065 25706 3908 1 9 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.561 -0.386 25706 3909 1 9 . 1 1 70 70 GLN H H 70 8.528 8.528 8.370 0.158 25706 3910 1 9 . 1 1 71 71 ALA N N 71 120.118 120.118 122.774 -2.656 25706 3911 1 9 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.991 0.072 25706 3912 1 9 . 1 1 71 71 ALA C C 71 180.495 180.495 179.363 1.132 25706 3913 1 9 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.197 -0.019 25706 3914 1 9 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.593 -0.697 25706 3915 1 9 . 1 1 71 71 ALA H H 71 7.625 7.625 7.699 -0.074 25706 3916 1 9 . 1 1 72 72 LEU N N 72 117.959 117.959 118.797 -0.838 25706 3917 1 9 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.171 0.002 25706 3918 1 9 . 1 1 72 72 LEU C C 72 180.674 180.674 179.584 1.090 25706 3919 1 9 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.343 0.211 25706 3920 1 9 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.548 1.219 25706 3921 1 9 . 1 1 72 72 LEU H H 72 8.068 8.068 8.183 -0.115 25706 3922 1 9 . 1 1 73 73 LEU N N 73 119.237 119.237 117.658 1.579 25706 3923 1 9 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.980 0.134 25706 3924 1 9 . 1 1 73 73 LEU C C 73 177.691 177.691 178.486 -0.795 25706 3925 1 9 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.010 -0.285 25706 3926 1 9 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.761 0.828 25706 3927 1 9 . 1 1 73 73 LEU H H 73 8.251 8.251 8.088 0.163 25706 3928 1 9 . 1 1 74 74 ALA N N 74 120.421 120.421 118.370 2.051 25706 3929 1 9 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.288 0.000 25706 3930 1 9 . 1 1 74 74 ALA C C 74 178.222 178.222 177.932 0.290 25706 3931 1 9 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.298 0.563 25706 3932 1 9 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.317 -0.119 25706 3933 1 9 . 1 1 74 74 ALA H H 74 7.765 7.765 7.728 0.037 25706 3934 1 9 . 1 1 75 75 GLY N N 75 106.485 106.485 106.864 -0.379 25706 3935 1 9 . 1 1 75 75 GLY C C 75 174.299 174.299 174.404 -0.105 25706 3936 1 9 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.176 0.611 25706 3937 1 9 . 1 1 75 75 GLY H H 75 7.895 7.895 7.647 0.248 25706 3938 1 9 . 1 1 76 76 ARG N N 76 119.703 119.703 121.273 -1.570 25706 3939 1 9 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.568 -0.066 25706 3940 1 9 . 1 1 76 76 ARG C C 76 175.750 175.750 175.679 0.071 25706 3941 1 9 . 1 1 76 76 ARG CA C 76 55.407 55.407 55.348 0.059 25706 3942 1 9 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.086 -0.782 25706 3943 1 9 . 1 1 76 76 ARG H H 76 8.110 8.110 7.928 0.182 25706 3944 1 9 . 1 1 77 77 THR N N 77 116.771 116.771 116.038 0.733 25706 3945 1 9 . 1 1 77 77 THR HA H 77 4.582 4.582 4.533 0.049 25706 3946 1 9 . 1 1 77 77 THR CA C 77 59.920 59.920 60.227 -0.308 25706 3947 1 9 . 1 1 77 77 THR CB C 77 69.810 69.810 68.565 1.245 25706 3948 1 9 . 1 1 77 77 THR H H 77 8.181 8.181 8.268 -0.087 25706 3949 1 9 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.357 0.011 25706 3950 1 9 . 1 1 78 78 PRO C C 78 176.366 176.366 176.196 0.170 25706 3951 1 9 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.931 0.223 25706 3952 1 9 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.149 -0.041 25706 3953 1 9 . 1 1 79 79 ALA N N 79 124.715 124.715 122.532 2.183 25706 3954 1 9 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.549 -0.303 25706 3955 1 9 . 1 1 79 79 ALA C C 79 177.314 177.314 176.317 0.997 25706 3956 1 9 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.410 0.988 25706 3957 1 9 . 1 1 79 79 ALA CB C 79 19.306 19.306 20.456 -1.150 25706 3958 1 9 . 1 1 79 79 ALA H H 79 8.417 8.417 7.996 0.421 25706 3959 1 9 . 1 1 80 80 ALA N N 80 123.467 123.467 123.162 0.305 25706 3960 1 9 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.461 -0.171 25706 3961 1 9 . 1 1 80 80 ALA C C 80 177.000 177.000 176.389 0.611 25706 3962 1 9 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.275 -0.265 25706 3963 1 9 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.470 -0.023 25706 3964 1 9 . 1 1 80 80 ALA H H 80 8.232 8.232 8.539 -0.307 25706 3965 1 9 . 1 1 81 81 ALA N N 81 125.029 125.029 123.550 1.479 25706 3966 1 9 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.725 -0.163 25706 3967 1 9 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.292 0.139 25706 3968 1 9 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.461 0.019 25706 3969 1 9 . 1 1 81 81 ALA H H 81 8.250 8.250 8.296 -0.046 25706 3970 1 9 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.558 -0.146 25706 3971 1 9 . 1 1 82 82 PRO C C 82 176.531 176.531 175.661 0.870 25706 3972 1 9 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.027 -0.029 25706 3973 1 9 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.604 1.480 25706 3974 1 9 . 1 1 83 83 ARG N N 83 122.956 122.956 123.214 -0.258 25706 3975 1 9 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.694 -0.083 25706 3976 1 9 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.440 0.338 25706 3977 1 9 . 1 1 83 83 ARG CB C 83 30.242 30.242 32.584 -2.342 25706 3978 1 9 . 1 1 83 83 ARG H H 83 8.384 8.384 7.848 0.536 25706 3979 1 10 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.757 -0.285 25706 3980 1 10 . 1 1 2 2 PRO C C 2 177.459 177.459 177.821 -0.362 25706 3981 1 10 . 1 1 2 2 PRO CA C 2 63.574 63.574 65.011 -1.437 25706 3982 1 10 . 1 1 2 2 PRO CB C 2 32.146 32.146 31.549 0.597 25706 3983 1 10 . 1 1 3 3 GLY N N 3 109.882 109.882 108.135 1.747 25706 3984 1 10 . 1 1 3 3 GLY C C 3 174.103 174.103 173.980 0.123 25706 3985 1 10 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.310 0.962 25706 3986 1 10 . 1 1 3 3 GLY H H 3 8.645 8.645 8.132 0.513 25706 3987 1 10 . 1 1 4 4 SER N N 4 115.534 115.534 115.637 -0.103 25706 3988 1 10 . 1 1 4 4 SER HA H 4 4.438 4.438 4.862 -0.424 25706 3989 1 10 . 1 1 4 4 SER C C 4 174.137 174.137 173.727 0.410 25706 3990 1 10 . 1 1 4 4 SER CA C 4 58.319 58.319 58.884 -0.565 25706 3991 1 10 . 1 1 4 4 SER CB C 4 63.864 63.864 64.310 -0.446 25706 3992 1 10 . 1 1 4 4 SER H H 4 8.127 8.127 8.706 -0.579 25706 3993 1 10 . 1 1 5 5 TYR N N 5 122.533 122.533 122.393 0.140 25706 3994 1 10 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.900 -0.230 25706 3995 1 10 . 1 1 5 5 TYR C C 5 176.109 176.109 174.737 1.372 25706 3996 1 10 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.584 0.531 25706 3997 1 10 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.405 -1.550 25706 3998 1 10 . 1 1 5 5 TYR H H 5 8.349 8.349 8.889 -0.540 25706 3999 1 10 . 1 1 6 6 THR N N 6 116.290 116.290 117.135 -0.845 25706 4000 1 10 . 1 1 6 6 THR HA H 6 4.305 4.305 5.040 -0.735 25706 4001 1 10 . 1 1 6 6 THR C C 6 174.899 174.899 172.740 2.159 25706 4002 1 10 . 1 1 6 6 THR CA C 6 61.743 61.743 60.273 1.470 25706 4003 1 10 . 1 1 6 6 THR CB C 6 69.859 69.859 72.360 -2.501 25706 4004 1 10 . 1 1 6 6 THR H H 6 8.177 8.177 8.296 -0.119 25706 4005 1 10 . 1 1 7 7 GLY N N 7 110.576 110.576 107.919 2.657 25706 4006 1 10 . 1 1 7 7 GLY C C 7 173.596 173.596 174.254 -0.658 25706 4007 1 10 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.417 0.930 25706 4008 1 10 . 1 1 7 7 GLY H H 7 7.646 7.646 8.376 -0.730 25706 4009 1 10 . 1 1 8 8 ALA N N 8 123.499 123.499 121.966 1.533 25706 4010 1 10 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.002 0.353 25706 4011 1 10 . 1 1 8 8 ALA C C 8 178.119 178.119 178.331 -0.212 25706 4012 1 10 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.709 -0.162 25706 4013 1 10 . 1 1 8 8 ALA CB C 8 19.387 19.387 18.253 1.134 25706 4014 1 10 . 1 1 8 8 ALA H H 8 8.171 8.171 8.601 -0.430 25706 4015 1 10 . 1 1 9 9 GLY N N 9 108.467 108.467 107.966 0.501 25706 4016 1 10 . 1 1 9 9 GLY C C 9 173.664 173.664 173.367 0.297 25706 4017 1 10 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.437 0.692 25706 4018 1 10 . 1 1 9 9 GLY H H 9 8.398 8.398 8.063 0.335 25706 4019 1 10 . 1 1 10 10 GLU N N 10 121.535 121.535 120.684 0.851 25706 4020 1 10 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.548 0.050 25706 4021 1 10 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.739 -0.487 25706 4022 1 10 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.715 0.244 25706 4023 1 10 . 1 1 10 10 GLU H H 10 8.230 8.230 8.341 -0.111 25706 4024 1 10 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.494 -0.040 25706 4025 1 10 . 1 1 11 11 PRO C C 11 176.799 176.799 176.420 0.379 25706 4026 1 10 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.010 0.292 25706 4027 1 10 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.258 -0.234 25706 4028 1 10 . 1 1 12 12 SER N N 12 117.122 117.122 119.984 -2.862 25706 4029 1 10 . 1 1 12 12 SER HA H 12 4.469 4.469 4.496 -0.027 25706 4030 1 10 . 1 1 12 12 SER C C 12 174.904 174.904 175.859 -0.955 25706 4031 1 10 . 1 1 12 12 SER CA C 12 57.876 57.876 57.567 0.309 25706 4032 1 10 . 1 1 12 12 SER CB C 12 64.624 64.624 65.311 -0.687 25706 4033 1 10 . 1 1 12 12 SER H H 12 8.721 8.721 8.270 0.451 25706 4034 1 10 . 1 1 13 13 GLN N N 13 121.678 121.678 120.095 1.583 25706 4035 1 10 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.021 0.099 25706 4036 1 10 . 1 1 13 13 GLN C C 13 178.113 178.113 177.547 0.566 25706 4037 1 10 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.480 -0.623 25706 4038 1 10 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.011 0.731 25706 4039 1 10 . 1 1 13 13 GLN H H 13 8.660 8.660 8.836 -0.176 25706 4040 1 10 . 1 1 14 14 ALA N N 14 122.557 122.557 122.058 0.499 25706 4041 1 10 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.200 0.008 25706 4042 1 10 . 1 1 14 14 ALA C C 14 179.168 179.168 179.127 0.041 25706 4043 1 10 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.377 -0.314 25706 4044 1 10 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.134 0.840 25706 4045 1 10 . 1 1 14 14 ALA H H 14 8.251 8.251 8.172 0.079 25706 4046 1 10 . 1 1 15 15 ASP N N 15 120.191 120.191 119.954 0.237 25706 4047 1 10 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.403 0.092 25706 4048 1 10 . 1 1 15 15 ASP C C 15 178.121 178.121 178.411 -0.290 25706 4049 1 10 . 1 1 15 15 ASP CA C 15 55.503 55.503 57.031 -1.528 25706 4050 1 10 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.989 -0.404 25706 4051 1 10 . 1 1 15 15 ASP H H 15 8.049 8.049 7.907 0.142 25706 4052 1 10 . 1 1 16 16 LEU N N 16 122.661 122.661 119.830 2.831 25706 4053 1 10 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.878 0.125 25706 4054 1 10 . 1 1 16 16 LEU C C 16 178.320 178.320 178.464 -0.144 25706 4055 1 10 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.969 -0.234 25706 4056 1 10 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.855 0.062 25706 4057 1 10 . 1 1 16 16 LEU H H 16 8.258 8.258 7.879 0.379 25706 4058 1 10 . 1 1 17 17 ASP N N 17 119.364 119.364 119.215 0.149 25706 4059 1 10 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.247 -0.004 25706 4060 1 10 . 1 1 17 17 ASP C C 17 178.534 178.534 178.226 0.308 25706 4061 1 10 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.406 0.688 25706 4062 1 10 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.717 0.738 25706 4063 1 10 . 1 1 17 17 ASP H H 17 8.299 8.299 8.067 0.232 25706 4064 1 10 . 1 1 18 18 ALA N N 18 121.057 121.057 121.373 -0.316 25706 4065 1 10 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.145 -0.020 25706 4066 1 10 . 1 1 18 18 ALA C C 18 180.942 180.942 179.693 1.249 25706 4067 1 10 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.020 -0.073 25706 4068 1 10 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.431 -0.214 25706 4069 1 10 . 1 1 18 18 ALA H H 18 7.851 7.851 7.908 -0.057 25706 4070 1 10 . 1 1 19 19 LEU N N 19 122.159 122.159 119.488 2.671 25706 4071 1 10 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.144 -0.169 25706 4072 1 10 . 1 1 19 19 LEU C C 19 178.447 178.447 178.518 -0.071 25706 4073 1 10 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.066 1.748 25706 4074 1 10 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.213 0.160 25706 4075 1 10 . 1 1 19 19 LEU H H 19 7.941 7.941 7.376 0.565 25706 4076 1 10 . 1 1 20 20 LEU N N 20 119.065 119.065 119.427 -0.362 25706 4077 1 10 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.828 -0.118 25706 4078 1 10 . 1 1 20 20 LEU C C 20 179.763 179.763 179.024 0.739 25706 4079 1 10 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.288 0.108 25706 4080 1 10 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.377 -1.511 25706 4081 1 10 . 1 1 20 20 LEU H H 20 8.454 8.454 8.561 -0.107 25706 4082 1 10 . 1 1 21 21 SER N N 21 115.603 115.603 114.811 0.792 25706 4083 1 10 . 1 1 21 21 SER HA H 21 4.199 4.199 4.179 0.020 25706 4084 1 10 . 1 1 21 21 SER C C 21 175.002 175.002 176.260 -1.258 25706 4085 1 10 . 1 1 21 21 SER CA C 21 62.502 62.502 61.620 0.882 25706 4086 1 10 . 1 1 21 21 SER CB C 21 62.806 62.806 62.937 -0.131 25706 4087 1 10 . 1 1 21 21 SER H H 21 8.248 8.248 7.918 0.330 25706 4088 1 10 . 1 1 22 22 ALA N N 22 123.437 123.437 124.027 -0.590 25706 4089 1 10 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.230 -0.164 25706 4090 1 10 . 1 1 22 22 ALA C C 22 180.273 180.273 178.751 1.522 25706 4091 1 10 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.718 0.769 25706 4092 1 10 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.465 -0.234 25706 4093 1 10 . 1 1 22 22 ALA H H 22 7.982 7.982 7.525 0.457 25706 4094 1 10 . 1 1 23 23 VAL N N 23 119.580 119.580 118.932 0.648 25706 4095 1 10 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.154 0.079 25706 4096 1 10 . 1 1 23 23 VAL C C 23 180.144 180.144 178.230 1.914 25706 4097 1 10 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.282 1.192 25706 4098 1 10 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.909 0.302 25706 4099 1 10 . 1 1 23 23 VAL H H 23 8.382 8.382 7.692 0.690 25706 4100 1 10 . 1 1 24 24 ARG N N 24 122.585 122.585 121.379 1.206 25706 4101 1 10 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.088 -0.167 25706 4102 1 10 . 1 1 24 24 ARG C C 24 177.169 177.169 177.452 -0.283 25706 4103 1 10 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.422 1.092 25706 4104 1 10 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.058 -0.164 25706 4105 1 10 . 1 1 24 24 ARG H H 24 8.589 8.589 8.537 0.052 25706 4106 1 10 . 1 1 25 25 ASP N N 25 115.538 115.538 116.884 -1.346 25706 4107 1 10 . 1 1 25 25 ASP C C 25 175.579 175.579 175.104 0.475 25706 4108 1 10 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.351 1.002 25706 4109 1 10 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.741 -0.026 25706 4110 1 10 . 1 1 25 25 ASP H H 25 8.083 8.083 7.752 0.331 25706 4111 1 10 . 1 1 26 26 ASN N N 26 113.668 113.668 114.097 -0.429 25706 4112 1 10 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.431 0.061 25706 4113 1 10 . 1 1 26 26 ASN C C 26 174.953 174.953 175.723 -0.770 25706 4114 1 10 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.824 0.399 25706 4115 1 10 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.608 0.843 25706 4116 1 10 . 1 1 26 26 ASN H H 26 7.860 7.860 7.892 -0.032 25706 4117 1 10 . 1 1 27 27 ARG N N 27 117.078 117.078 117.027 0.051 25706 4118 1 10 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.395 -0.092 25706 4119 1 10 . 1 1 27 27 ARG C C 27 176.011 176.011 176.187 -0.176 25706 4120 1 10 . 1 1 27 27 ARG CA C 27 57.582 57.582 55.978 1.604 25706 4121 1 10 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.587 0.787 25706 4122 1 10 . 1 1 27 27 ARG H H 27 8.700 8.700 8.471 0.229 25706 4123 1 10 . 1 1 28 28 LEU N N 28 119.538 119.538 121.168 -1.630 25706 4124 1 10 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.645 -0.019 25706 4125 1 10 . 1 1 28 28 LEU C C 28 175.563 175.563 175.695 -0.132 25706 4126 1 10 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.929 0.474 25706 4127 1 10 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.626 2.094 25706 4128 1 10 . 1 1 28 28 LEU H H 28 7.101 7.101 7.585 -0.484 25706 4129 1 10 . 1 1 29 29 SER N N 29 119.714 119.714 121.040 -1.326 25706 4130 1 10 . 1 1 29 29 SER HA H 29 4.512 4.512 4.705 -0.193 25706 4131 1 10 . 1 1 29 29 SER C C 29 174.769 174.769 175.695 -0.926 25706 4132 1 10 . 1 1 29 29 SER CA C 29 56.883 56.883 57.281 -0.398 25706 4133 1 10 . 1 1 29 29 SER CB C 29 65.067 65.067 65.087 -0.020 25706 4134 1 10 . 1 1 29 29 SER H H 29 8.885 8.885 8.722 0.163 25706 4135 1 10 . 1 1 30 30 ILE N N 30 121.990 121.990 124.609 -2.619 25706 4136 1 10 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.713 -0.149 25706 4137 1 10 . 1 1 30 30 ILE C C 30 177.419 177.419 178.113 -0.694 25706 4138 1 10 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.813 0.893 25706 4139 1 10 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.331 -0.199 25706 4140 1 10 . 1 1 30 30 ILE H H 30 8.953 8.953 8.836 0.117 25706 4141 1 10 . 1 1 31 31 GLU N N 31 117.222 117.222 118.779 -1.557 25706 4142 1 10 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.125 -0.262 25706 4143 1 10 . 1 1 31 31 GLU C C 31 179.559 179.559 178.986 0.573 25706 4144 1 10 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.183 1.331 25706 4145 1 10 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.088 -0.042 25706 4146 1 10 . 1 1 31 31 GLU H H 31 8.669 8.669 8.655 0.014 25706 4147 1 10 . 1 1 32 32 GLN N N 32 118.595 118.595 119.508 -0.913 25706 4148 1 10 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.102 -0.057 25706 4149 1 10 . 1 1 32 32 GLN C C 32 179.113 179.113 178.158 0.955 25706 4150 1 10 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.684 -0.183 25706 4151 1 10 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.436 0.851 25706 4152 1 10 . 1 1 32 32 GLN H H 32 7.949 7.949 8.341 -0.392 25706 4153 1 10 . 1 1 33 33 ALA N N 33 123.062 123.062 121.914 1.148 25706 4154 1 10 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.112 -0.199 25706 4155 1 10 . 1 1 33 33 ALA C C 33 178.918 178.918 179.824 -0.906 25706 4156 1 10 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.928 0.609 25706 4157 1 10 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.336 0.810 25706 4158 1 10 . 1 1 33 33 ALA H H 33 8.520 8.520 8.316 0.204 25706 4159 1 10 . 1 1 34 34 VAL N N 34 115.551 115.551 117.799 -2.248 25706 4160 1 10 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.695 -0.312 25706 4161 1 10 . 1 1 34 34 VAL C C 34 179.013 179.013 177.914 1.099 25706 4162 1 10 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.049 0.982 25706 4163 1 10 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.770 -0.195 25706 4164 1 10 . 1 1 34 34 VAL H H 34 8.469 8.469 7.483 0.986 25706 4165 1 10 . 1 1 35 35 THR N N 35 114.806 114.806 115.003 -0.197 25706 4166 1 10 . 1 1 35 35 THR HA H 35 4.012 4.012 4.111 -0.099 25706 4167 1 10 . 1 1 35 35 THR C C 35 176.151 176.151 176.117 0.034 25706 4168 1 10 . 1 1 35 35 THR CA C 35 65.944 65.944 65.520 0.424 25706 4169 1 10 . 1 1 35 35 THR CB C 35 68.902 68.902 68.991 -0.089 25706 4170 1 10 . 1 1 35 35 THR H H 35 7.598 7.598 7.757 -0.159 25706 4171 1 10 . 1 1 36 36 LEU N N 36 120.922 120.922 119.590 1.332 25706 4172 1 10 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.267 -0.084 25706 4173 1 10 . 1 1 36 36 LEU C C 36 177.940 177.940 178.586 -0.646 25706 4174 1 10 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.137 0.473 25706 4175 1 10 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.116 0.161 25706 4176 1 10 . 1 1 36 36 LEU H H 36 7.516 7.516 7.960 -0.444 25706 4177 1 10 . 1 1 37 37 LEU N N 37 118.066 118.066 119.501 -1.435 25706 4178 1 10 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.301 0.036 25706 4179 1 10 . 1 1 37 37 LEU C C 37 177.013 177.013 176.785 0.228 25706 4180 1 10 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.367 -1.490 25706 4181 1 10 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.905 0.116 25706 4182 1 10 . 1 1 37 37 LEU H H 37 7.444 7.444 7.301 0.143 25706 4183 1 10 . 1 1 38 38 THR N N 38 116.689 116.689 112.829 3.860 25706 4184 1 10 . 1 1 38 38 THR HA H 38 4.469 4.469 4.075 0.394 25706 4185 1 10 . 1 1 38 38 THR CA C 38 61.736 61.736 62.707 -0.971 25706 4186 1 10 . 1 1 38 38 THR CB C 38 69.544 69.544 67.369 2.175 25706 4187 1 10 . 1 1 38 38 THR H H 38 7.925 7.925 7.793 0.132 25706 4188 1 10 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.372 0.101 25706 4189 1 10 . 1 1 39 39 PRO C C 39 177.055 177.055 177.340 -0.285 25706 4190 1 10 . 1 1 39 39 PRO CA C 39 63.505 63.505 63.272 0.233 25706 4191 1 10 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.261 -0.122 25706 4192 1 10 . 1 1 40 40 ARG N N 40 120.701 120.701 124.087 -3.386 25706 4193 1 10 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.506 -0.199 25706 4194 1 10 . 1 1 40 40 ARG C C 40 176.527 176.527 177.643 -1.116 25706 4195 1 10 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.063 0.244 25706 4196 1 10 . 1 1 40 40 ARG CB C 40 30.797 30.797 31.065 -0.268 25706 4197 1 10 . 1 1 40 40 ARG H H 40 8.384 8.384 8.706 -0.322 25706 4198 1 10 . 1 1 41 41 ARG N N 41 121.467 121.467 115.619 5.848 25706 4199 1 10 . 1 1 41 41 ARG HA H 41 4.381 4.381 3.932 0.449 25706 4200 1 10 . 1 1 41 41 ARG C C 41 176.791 176.791 176.936 -0.145 25706 4201 1 10 . 1 1 41 41 ARG CA C 41 56.227 56.227 57.897 -1.670 25706 4202 1 10 . 1 1 41 41 ARG CB C 41 30.869 30.869 28.373 2.496 25706 4203 1 10 . 1 1 41 41 ARG H H 41 8.367 8.367 8.566 -0.199 25706 4204 1 10 . 1 1 42 42 GLY N N 42 110.418 110.418 108.124 2.294 25706 4205 1 10 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.405 -0.058 25706 4206 1 10 . 1 1 42 42 GLY H H 42 8.538 8.538 8.149 0.390 25706 4207 1 10 . 1 1 44 44 GLY C C 44 174.487 174.487 174.414 0.073 25706 4208 1 10 . 1 1 45 45 SER N N 45 115.788 115.788 114.501 1.287 25706 4209 1 10 . 1 1 45 45 SER HA H 45 4.515 4.515 4.019 0.496 25706 4210 1 10 . 1 1 45 45 SER C C 45 175.337 175.337 174.463 0.874 25706 4211 1 10 . 1 1 45 45 SER CA C 45 58.590 58.590 58.794 -0.204 25706 4212 1 10 . 1 1 45 45 SER CB C 45 63.920 63.920 62.311 1.609 25706 4213 1 10 . 1 1 45 45 SER H H 45 8.422 8.422 7.917 0.505 25706 4214 1 10 . 1 1 46 46 GLY N N 46 111.003 111.003 107.905 3.098 25706 4215 1 10 . 1 1 46 46 GLY C C 46 174.837 174.837 173.397 1.440 25706 4216 1 10 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.177 1.320 25706 4217 1 10 . 1 1 46 46 GLY H H 46 8.600 8.600 8.526 0.074 25706 4218 1 10 . 1 1 47 47 GLY N N 47 108.933 108.933 106.842 2.091 25706 4219 1 10 . 1 1 47 47 GLY C C 47 174.864 174.864 175.424 -0.560 25706 4220 1 10 . 1 1 47 47 GLY H H 47 8.398 8.398 8.273 0.125 25706 4221 1 10 . 1 1 48 48 GLY N N 48 108.905 108.905 105.832 3.073 25706 4222 1 10 . 1 1 48 48 GLY C C 48 174.496 174.496 174.460 0.036 25706 4223 1 10 . 1 1 48 48 GLY H H 48 8.418 8.418 8.413 0.005 25706 4224 1 10 . 1 1 49 49 SER N N 49 115.575 115.575 114.122 1.453 25706 4225 1 10 . 1 1 49 49 SER HA H 49 4.439 4.439 4.046 0.393 25706 4226 1 10 . 1 1 49 49 SER C C 49 174.539 174.539 173.741 0.798 25706 4227 1 10 . 1 1 49 49 SER CA C 49 58.826 58.826 58.539 0.287 25706 4228 1 10 . 1 1 49 49 SER CB C 49 64.100 64.100 62.492 1.608 25706 4229 1 10 . 1 1 49 49 SER H H 49 8.292 8.292 8.201 0.091 25706 4230 1 10 . 1 1 50 50 MET N N 50 121.907 121.907 121.172 0.735 25706 4231 1 10 . 1 1 50 50 MET HA H 50 4.445 4.445 4.483 -0.038 25706 4232 1 10 . 1 1 50 50 MET C C 50 175.456 175.456 174.376 1.080 25706 4233 1 10 . 1 1 50 50 MET CA C 50 55.951 55.951 55.784 0.167 25706 4234 1 10 . 1 1 50 50 MET CB C 50 33.967 33.967 33.219 0.748 25706 4235 1 10 . 1 1 50 50 MET H H 50 8.310 8.310 7.483 0.827 25706 4236 1 10 . 1 1 51 51 ASP N N 51 122.904 122.904 125.028 -2.124 25706 4237 1 10 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.887 -0.246 25706 4238 1 10 . 1 1 51 51 ASP C C 51 176.239 176.239 175.374 0.865 25706 4239 1 10 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.404 0.107 25706 4240 1 10 . 1 1 51 51 ASP CB C 51 41.513 41.513 45.519 -4.005 25706 4241 1 10 . 1 1 51 51 ASP H H 51 8.506 8.506 8.705 -0.199 25706 4242 1 10 . 1 1 52 52 ALA N N 52 123.354 123.354 127.980 -4.626 25706 4243 1 10 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.036 -0.190 25706 4244 1 10 . 1 1 52 52 ALA C C 52 178.517 178.517 178.951 -0.434 25706 4245 1 10 . 1 1 52 52 ALA CA C 52 55.598 55.598 54.997 0.601 25706 4246 1 10 . 1 1 52 52 ALA CB C 52 18.617 18.617 19.064 -0.446 25706 4247 1 10 . 1 1 52 52 ALA H H 52 8.506 8.506 8.749 -0.243 25706 4248 1 10 . 1 1 53 53 LYS N N 53 117.034 117.034 118.647 -1.613 25706 4249 1 10 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.045 -0.447 25706 4250 1 10 . 1 1 53 53 LYS C C 53 179.171 179.171 178.743 0.428 25706 4251 1 10 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.503 0.899 25706 4252 1 10 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.183 -0.125 25706 4253 1 10 . 1 1 53 53 LYS H H 53 8.407 8.407 8.509 -0.102 25706 4254 1 10 . 1 1 54 54 GLU N N 54 123.212 123.212 119.934 3.278 25706 4255 1 10 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.129 -0.056 25706 4256 1 10 . 1 1 54 54 GLU C C 54 178.526 178.526 179.035 -0.509 25706 4257 1 10 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.047 0.697 25706 4258 1 10 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.189 0.149 25706 4259 1 10 . 1 1 54 54 GLU H H 54 8.005 8.005 7.949 0.056 25706 4260 1 10 . 1 1 55 55 ILE N N 55 119.567 119.567 120.797 -1.230 25706 4261 1 10 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.733 -0.304 25706 4262 1 10 . 1 1 55 55 ILE C C 55 177.999 177.999 178.195 -0.196 25706 4263 1 10 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.649 -0.037 25706 4264 1 10 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.859 0.852 25706 4265 1 10 . 1 1 55 55 ILE H H 55 8.088 8.088 8.246 -0.158 25706 4266 1 10 . 1 1 56 56 LEU N N 56 116.646 116.646 120.232 -3.586 25706 4267 1 10 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.137 -0.133 25706 4268 1 10 . 1 1 56 56 LEU C C 56 178.636 178.636 179.416 -0.780 25706 4269 1 10 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.091 -0.027 25706 4270 1 10 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.542 2.402 25706 4271 1 10 . 1 1 56 56 LEU H H 56 8.477 8.477 8.463 0.014 25706 4272 1 10 . 1 1 57 57 THR N N 57 117.148 117.148 116.209 0.939 25706 4273 1 10 . 1 1 57 57 THR HA H 57 3.833 3.833 3.928 -0.095 25706 4274 1 10 . 1 1 57 57 THR C C 57 175.836 175.836 176.913 -1.077 25706 4275 1 10 . 1 1 57 57 THR CA C 57 67.615 67.615 67.373 0.242 25706 4276 1 10 . 1 1 57 57 THR CB C 57 68.860 68.860 68.587 0.273 25706 4277 1 10 . 1 1 57 57 THR H H 57 8.260 8.260 8.498 -0.238 25706 4278 1 10 . 1 1 58 58 ARG N N 58 120.818 120.818 121.574 -0.756 25706 4279 1 10 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.064 0.184 25706 4280 1 10 . 1 1 58 58 ARG C C 58 179.476 179.476 178.444 1.032 25706 4281 1 10 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.523 -0.248 25706 4282 1 10 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.195 0.353 25706 4283 1 10 . 1 1 58 58 ARG H H 58 8.202 8.202 8.217 -0.015 25706 4284 1 10 . 1 1 59 59 PHE N N 59 119.668 119.668 121.652 -1.984 25706 4285 1 10 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.427 0.321 25706 4286 1 10 . 1 1 59 59 PHE C C 59 178.260 178.260 177.279 0.981 25706 4287 1 10 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.592 -0.315 25706 4288 1 10 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.193 0.027 25706 4289 1 10 . 1 1 59 59 PHE H H 59 8.615 8.615 8.460 0.155 25706 4290 1 10 . 1 1 60 60 LYS N N 60 123.687 123.687 118.946 4.741 25706 4291 1 10 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.625 -0.138 25706 4292 1 10 . 1 1 60 60 LYS C C 60 177.801 177.801 178.293 -0.492 25706 4293 1 10 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.291 0.534 25706 4294 1 10 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.415 0.001 25706 4295 1 10 . 1 1 60 60 LYS H H 60 8.800 8.800 8.391 0.409 25706 4296 1 10 . 1 1 61 61 ASP N N 61 116.083 116.083 117.588 -1.505 25706 4297 1 10 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.441 0.152 25706 4298 1 10 . 1 1 61 61 ASP C C 61 177.052 177.052 177.218 -0.166 25706 4299 1 10 . 1 1 61 61 ASP CA C 61 54.919 54.919 55.338 -0.419 25706 4300 1 10 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.245 -0.239 25706 4301 1 10 . 1 1 61 61 ASP H H 61 8.107 8.107 7.911 0.196 25706 4302 1 10 . 1 1 62 62 GLY N N 62 107.294 107.294 105.710 1.584 25706 4303 1 10 . 1 1 62 62 GLY C C 62 175.018 175.018 175.621 -0.603 25706 4304 1 10 . 1 1 62 62 GLY CA C 62 45.385 45.385 44.985 0.400 25706 4305 1 10 . 1 1 62 62 GLY H H 62 7.625 7.625 7.690 -0.065 25706 4306 1 10 . 1 1 63 63 GLY N N 63 109.718 109.718 107.528 2.190 25706 4307 1 10 . 1 1 63 63 GLY C C 63 173.393 173.393 172.809 0.584 25706 4308 1 10 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.571 1.167 25706 4309 1 10 . 1 1 63 63 GLY H H 63 8.687 8.687 8.229 0.458 25706 4310 1 10 . 1 1 64 64 LEU N N 64 119.332 119.332 119.302 0.030 25706 4311 1 10 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.694 0.024 25706 4312 1 10 . 1 1 64 64 LEU C C 64 175.357 175.357 175.038 0.319 25706 4313 1 10 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.897 0.040 25706 4314 1 10 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.861 1.216 25706 4315 1 10 . 1 1 64 64 LEU H H 64 7.034 7.034 7.320 -0.286 25706 4316 1 10 . 1 1 65 65 ASP N N 65 121.569 121.569 125.239 -3.670 25706 4317 1 10 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.887 -0.094 25706 4318 1 10 . 1 1 65 65 ASP C C 65 175.652 175.652 177.574 -1.922 25706 4319 1 10 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.338 -1.461 25706 4320 1 10 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.308 -0.490 25706 4321 1 10 . 1 1 65 65 ASP H H 65 8.287 8.287 8.602 -0.315 25706 4322 1 10 . 1 1 66 66 ARG N N 66 120.199 120.199 123.287 -3.088 25706 4323 1 10 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.972 -0.217 25706 4324 1 10 . 1 1 66 66 ARG C C 66 177.271 177.271 177.964 -0.693 25706 4325 1 10 . 1 1 66 66 ARG CA C 66 60.564 60.564 60.068 0.496 25706 4326 1 10 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.344 0.505 25706 4327 1 10 . 1 1 66 66 ARG H H 66 8.860 8.860 8.936 -0.076 25706 4328 1 10 . 1 1 67 67 ALA N N 67 120.212 120.212 121.150 -0.938 25706 4329 1 10 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.344 -0.260 25706 4330 1 10 . 1 1 67 67 ALA C C 67 181.015 181.015 179.725 1.290 25706 4331 1 10 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.917 0.259 25706 4332 1 10 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.083 -0.242 25706 4333 1 10 . 1 1 67 67 ALA H H 67 8.339 8.339 8.569 -0.230 25706 4334 1 10 . 1 1 68 68 ALA N N 68 122.433 122.433 121.675 0.758 25706 4335 1 10 . 1 1 68 68 ALA HA H 68 4.155 4.155 3.976 0.179 25706 4336 1 10 . 1 1 68 68 ALA C C 68 180.071 180.071 179.317 0.754 25706 4337 1 10 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.784 0.166 25706 4338 1 10 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.293 0.954 25706 4339 1 10 . 1 1 68 68 ALA H H 68 8.184 8.184 8.363 -0.179 25706 4340 1 10 . 1 1 69 69 ALA N N 69 119.845 119.845 121.383 -1.538 25706 4341 1 10 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.883 -0.051 25706 4342 1 10 . 1 1 69 69 ALA C C 69 178.826 178.826 179.712 -0.886 25706 4343 1 10 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.173 0.357 25706 4344 1 10 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.936 0.041 25706 4345 1 10 . 1 1 69 69 ALA H H 69 8.511 8.511 8.500 0.011 25706 4346 1 10 . 1 1 70 70 GLN N N 70 116.137 116.137 118.069 -1.932 25706 4347 1 10 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.827 -0.227 25706 4348 1 10 . 1 1 70 70 GLN C C 70 177.832 177.832 178.535 -0.703 25706 4349 1 10 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.911 1.139 25706 4350 1 10 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.562 -0.387 25706 4351 1 10 . 1 1 70 70 GLN H H 70 8.528 8.528 8.117 0.411 25706 4352 1 10 . 1 1 71 71 ALA N N 71 120.118 120.118 123.034 -2.916 25706 4353 1 10 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.008 0.055 25706 4354 1 10 . 1 1 71 71 ALA C C 71 180.495 180.495 179.450 1.045 25706 4355 1 10 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.184 -0.006 25706 4356 1 10 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.616 -0.720 25706 4357 1 10 . 1 1 71 71 ALA H H 71 7.625 7.625 7.868 -0.243 25706 4358 1 10 . 1 1 72 72 LEU N N 72 117.959 117.959 119.146 -1.187 25706 4359 1 10 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.172 0.001 25706 4360 1 10 . 1 1 72 72 LEU C C 72 180.674 180.674 179.627 1.047 25706 4361 1 10 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.289 0.265 25706 4362 1 10 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.464 1.303 25706 4363 1 10 . 1 1 72 72 LEU H H 72 8.068 8.068 8.259 -0.191 25706 4364 1 10 . 1 1 73 73 LEU N N 73 119.237 119.237 118.929 0.308 25706 4365 1 10 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.955 0.159 25706 4366 1 10 . 1 1 73 73 LEU C C 73 177.691 177.691 178.324 -0.633 25706 4367 1 10 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.816 -1.092 25706 4368 1 10 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.422 1.167 25706 4369 1 10 . 1 1 73 73 LEU H H 73 8.251 8.251 8.353 -0.102 25706 4370 1 10 . 1 1 74 74 ALA N N 74 120.421 120.421 119.046 1.375 25706 4371 1 10 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.175 0.113 25706 4372 1 10 . 1 1 74 74 ALA C C 74 178.222 178.222 177.553 0.669 25706 4373 1 10 . 1 1 74 74 ALA CA C 74 52.861 52.861 53.186 -0.325 25706 4374 1 10 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.080 0.118 25706 4375 1 10 . 1 1 74 74 ALA H H 74 7.765 7.765 7.424 0.341 25706 4376 1 10 . 1 1 75 75 GLY N N 75 106.485 106.485 103.277 3.208 25706 4377 1 10 . 1 1 75 75 GLY C C 75 174.299 174.299 174.396 -0.097 25706 4378 1 10 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.265 0.522 25706 4379 1 10 . 1 1 75 75 GLY H H 75 7.895 7.895 7.304 0.591 25706 4380 1 10 . 1 1 76 76 ARG N N 76 119.703 119.703 119.234 0.469 25706 4381 1 10 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.770 -0.268 25706 4382 1 10 . 1 1 76 76 ARG C C 76 175.750 175.750 175.626 0.124 25706 4383 1 10 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.152 2.255 25706 4384 1 10 . 1 1 76 76 ARG CB C 76 31.303 31.303 30.924 0.379 25706 4385 1 10 . 1 1 76 76 ARG H H 76 8.110 8.110 8.382 -0.272 25706 4386 1 10 . 1 1 77 77 THR N N 77 116.771 116.771 114.389 2.382 25706 4387 1 10 . 1 1 77 77 THR HA H 77 4.582 4.582 4.410 0.172 25706 4388 1 10 . 1 1 77 77 THR CA C 77 59.920 59.920 60.077 -0.157 25706 4389 1 10 . 1 1 77 77 THR CB C 77 69.810 69.810 68.484 1.326 25706 4390 1 10 . 1 1 77 77 THR H H 77 8.181 8.181 8.237 -0.056 25706 4391 1 10 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.381 -0.013 25706 4392 1 10 . 1 1 78 78 PRO C C 78 176.366 176.366 177.028 -0.662 25706 4393 1 10 . 1 1 78 78 PRO CA C 78 63.154 63.154 63.327 -0.173 25706 4394 1 10 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.061 0.047 25706 4395 1 10 . 1 1 79 79 ALA N N 79 124.715 124.715 126.597 -1.882 25706 4396 1 10 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.223 0.023 25706 4397 1 10 . 1 1 79 79 ALA C C 79 177.314 177.314 176.847 0.467 25706 4398 1 10 . 1 1 79 79 ALA CA C 79 52.398 52.398 52.282 0.116 25706 4399 1 10 . 1 1 79 79 ALA CB C 79 19.306 19.306 19.024 0.281 25706 4400 1 10 . 1 1 79 79 ALA H H 79 8.417 8.417 8.098 0.319 25706 4401 1 10 . 1 1 80 80 ALA N N 80 123.467 123.467 122.605 0.862 25706 4402 1 10 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.702 -0.412 25706 4403 1 10 . 1 1 80 80 ALA C C 80 177.000 177.000 175.578 1.422 25706 4404 1 10 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.397 -0.387 25706 4405 1 10 . 1 1 80 80 ALA CB C 80 19.447 19.447 20.338 -0.891 25706 4406 1 10 . 1 1 80 80 ALA H H 80 8.232 8.232 8.439 -0.207 25706 4407 1 10 . 1 1 81 81 ALA N N 81 125.029 125.029 123.908 1.121 25706 4408 1 10 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.699 -0.137 25706 4409 1 10 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.200 -0.769 25706 4410 1 10 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.786 -0.306 25706 4411 1 10 . 1 1 81 81 ALA H H 81 8.250 8.250 8.248 0.002 25706 4412 1 10 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.516 -0.104 25706 4413 1 10 . 1 1 82 82 PRO C C 82 176.531 176.531 176.467 0.064 25706 4414 1 10 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.966 0.032 25706 4415 1 10 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.742 0.341 25706 4416 1 10 . 1 1 83 83 ARG N N 83 122.956 122.956 122.086 0.870 25706 4417 1 10 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.470 0.141 25706 4418 1 10 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.644 -0.866 25706 4419 1 10 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.260 0.982 25706 4420 1 10 . 1 1 83 83 ARG H H 83 8.384 8.384 7.658 0.726 25706 4421 1 11 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.510 -0.038 25706 4422 1 11 . 1 1 2 2 PRO C C 2 177.459 177.459 177.436 0.023 25706 4423 1 11 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.278 1.296 25706 4424 1 11 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.470 -0.324 25706 4425 1 11 . 1 1 3 3 GLY N N 3 109.882 109.882 107.669 2.213 25706 4426 1 11 . 1 1 3 3 GLY C C 3 174.103 174.103 174.825 -0.722 25706 4427 1 11 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.412 -0.140 25706 4428 1 11 . 1 1 3 3 GLY H H 3 8.645 8.645 8.318 0.327 25706 4429 1 11 . 1 1 4 4 SER N N 4 115.534 115.534 116.232 -0.698 25706 4430 1 11 . 1 1 4 4 SER HA H 4 4.438 4.438 4.096 0.342 25706 4431 1 11 . 1 1 4 4 SER C C 4 174.137 174.137 174.166 -0.029 25706 4432 1 11 . 1 1 4 4 SER CA C 4 58.319 58.319 58.715 -0.396 25706 4433 1 11 . 1 1 4 4 SER CB C 4 63.864 63.864 62.438 1.426 25706 4434 1 11 . 1 1 4 4 SER H H 4 8.127 8.127 8.461 -0.334 25706 4435 1 11 . 1 1 5 5 TYR N N 5 122.533 122.533 120.858 1.675 25706 4436 1 11 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.455 0.215 25706 4437 1 11 . 1 1 5 5 TYR C C 5 176.109 176.109 176.385 -0.276 25706 4438 1 11 . 1 1 5 5 TYR CA C 5 58.115 58.115 60.239 -2.124 25706 4439 1 11 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.369 -0.514 25706 4440 1 11 . 1 1 5 5 TYR H H 5 8.349 8.349 7.754 0.595 25706 4441 1 11 . 1 1 6 6 THR N N 6 116.290 116.290 121.081 -4.791 25706 4442 1 11 . 1 1 6 6 THR HA H 6 4.305 4.305 4.292 0.013 25706 4443 1 11 . 1 1 6 6 THR C C 6 174.899 174.899 174.146 0.753 25706 4444 1 11 . 1 1 6 6 THR CA C 6 61.743 61.743 61.304 0.439 25706 4445 1 11 . 1 1 6 6 THR CB C 6 69.859 69.859 68.799 1.060 25706 4446 1 11 . 1 1 6 6 THR H H 6 8.177 8.177 7.663 0.514 25706 4447 1 11 . 1 1 7 7 GLY N N 7 110.576 110.576 109.516 1.060 25706 4448 1 11 . 1 1 7 7 GLY C C 7 173.596 173.596 173.350 0.246 25706 4449 1 11 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.768 0.579 25706 4450 1 11 . 1 1 7 7 GLY H H 7 7.646 7.646 6.396 1.250 25706 4451 1 11 . 1 1 8 8 ALA N N 8 123.499 123.499 124.377 -0.878 25706 4452 1 11 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.592 -0.237 25706 4453 1 11 . 1 1 8 8 ALA C C 8 178.119 178.119 176.660 1.459 25706 4454 1 11 . 1 1 8 8 ALA CA C 8 52.547 52.547 51.949 0.598 25706 4455 1 11 . 1 1 8 8 ALA CB C 8 19.387 19.387 20.685 -1.298 25706 4456 1 11 . 1 1 8 8 ALA H H 8 8.171 8.171 8.290 -0.119 25706 4457 1 11 . 1 1 9 9 GLY N N 9 108.467 108.467 109.198 -0.731 25706 4458 1 11 . 1 1 9 9 GLY C C 9 173.664 173.664 172.363 1.301 25706 4459 1 11 . 1 1 9 9 GLY CA C 9 45.129 45.129 45.499 -0.370 25706 4460 1 11 . 1 1 9 9 GLY H H 9 8.398 8.398 8.711 -0.313 25706 4461 1 11 . 1 1 10 10 GLU N N 10 121.535 121.535 119.246 2.289 25706 4462 1 11 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.651 -0.053 25706 4463 1 11 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.592 -0.340 25706 4464 1 11 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.401 -0.442 25706 4465 1 11 . 1 1 10 10 GLU H H 10 8.230 8.230 8.684 -0.454 25706 4466 1 11 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.451 0.003 25706 4467 1 11 . 1 1 11 11 PRO C C 11 176.799 176.799 175.814 0.985 25706 4468 1 11 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.592 -0.290 25706 4469 1 11 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.096 -0.072 25706 4470 1 11 . 1 1 12 12 SER N N 12 117.122 117.122 116.813 0.309 25706 4471 1 11 . 1 1 12 12 SER HA H 12 4.469 4.469 4.626 -0.157 25706 4472 1 11 . 1 1 12 12 SER C C 12 174.904 174.904 175.102 -0.198 25706 4473 1 11 . 1 1 12 12 SER CA C 12 57.876 57.876 56.912 0.964 25706 4474 1 11 . 1 1 12 12 SER CB C 12 64.624 64.624 65.075 -0.451 25706 4475 1 11 . 1 1 12 12 SER H H 12 8.721 8.721 7.692 1.029 25706 4476 1 11 . 1 1 13 13 GLN N N 13 121.678 121.678 126.002 -4.324 25706 4477 1 11 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.110 0.010 25706 4478 1 11 . 1 1 13 13 GLN C C 13 178.113 178.113 176.873 1.240 25706 4479 1 11 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.532 -0.675 25706 4480 1 11 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.662 0.080 25706 4481 1 11 . 1 1 13 13 GLN H H 13 8.660 8.660 8.950 -0.290 25706 4482 1 11 . 1 1 14 14 ALA N N 14 122.557 122.557 121.911 0.646 25706 4483 1 11 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.175 0.033 25706 4484 1 11 . 1 1 14 14 ALA C C 14 179.168 179.168 178.876 0.292 25706 4485 1 11 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.735 -0.672 25706 4486 1 11 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.567 0.407 25706 4487 1 11 . 1 1 14 14 ALA H H 14 8.251 8.251 7.747 0.504 25706 4488 1 11 . 1 1 15 15 ASP N N 15 120.191 120.191 120.332 -0.141 25706 4489 1 11 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.458 0.037 25706 4490 1 11 . 1 1 15 15 ASP C C 15 178.121 178.121 178.507 -0.386 25706 4491 1 11 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.907 -1.405 25706 4492 1 11 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.492 0.093 25706 4493 1 11 . 1 1 15 15 ASP H H 15 8.049 8.049 7.692 0.357 25706 4494 1 11 . 1 1 16 16 LEU N N 16 122.661 122.661 120.561 2.100 25706 4495 1 11 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.904 0.099 25706 4496 1 11 . 1 1 16 16 LEU C C 16 178.320 178.320 178.429 -0.109 25706 4497 1 11 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.065 -0.330 25706 4498 1 11 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.867 0.050 25706 4499 1 11 . 1 1 16 16 LEU H H 16 8.258 8.258 8.163 0.095 25706 4500 1 11 . 1 1 17 17 ASP N N 17 119.364 119.364 119.285 0.079 25706 4501 1 11 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.240 0.003 25706 4502 1 11 . 1 1 17 17 ASP C C 17 178.534 178.534 178.223 0.311 25706 4503 1 11 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.673 0.421 25706 4504 1 11 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.785 0.670 25706 4505 1 11 . 1 1 17 17 ASP H H 17 8.299 8.299 8.161 0.138 25706 4506 1 11 . 1 1 18 18 ALA N N 18 121.057 121.057 121.961 -0.904 25706 4507 1 11 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.142 -0.017 25706 4508 1 11 . 1 1 18 18 ALA C C 18 180.942 180.942 179.663 1.279 25706 4509 1 11 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.034 -0.087 25706 4510 1 11 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.461 -0.244 25706 4511 1 11 . 1 1 18 18 ALA H H 18 7.851 7.851 7.732 0.119 25706 4512 1 11 . 1 1 19 19 LEU N N 19 122.159 122.159 120.008 2.151 25706 4513 1 11 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.020 -0.045 25706 4514 1 11 . 1 1 19 19 LEU C C 19 178.447 178.447 178.793 -0.346 25706 4515 1 11 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.920 0.894 25706 4516 1 11 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.189 0.184 25706 4517 1 11 . 1 1 19 19 LEU H H 19 7.941 7.941 7.661 0.280 25706 4518 1 11 . 1 1 20 20 LEU N N 20 119.065 119.065 118.235 0.830 25706 4519 1 11 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.903 -0.193 25706 4520 1 11 . 1 1 20 20 LEU C C 20 179.763 179.763 178.965 0.798 25706 4521 1 11 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.431 -0.035 25706 4522 1 11 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.350 -1.484 25706 4523 1 11 . 1 1 20 20 LEU H H 20 8.454 8.454 8.591 -0.137 25706 4524 1 11 . 1 1 21 21 SER N N 21 115.603 115.603 114.249 1.354 25706 4525 1 11 . 1 1 21 21 SER HA H 21 4.199 4.199 4.113 0.086 25706 4526 1 11 . 1 1 21 21 SER C C 21 175.002 175.002 176.174 -1.172 25706 4527 1 11 . 1 1 21 21 SER CA C 21 62.502 62.502 61.239 1.263 25706 4528 1 11 . 1 1 21 21 SER CB C 21 62.806 62.806 62.982 -0.176 25706 4529 1 11 . 1 1 21 21 SER H H 21 8.248 8.248 8.312 -0.064 25706 4530 1 11 . 1 1 22 22 ALA N N 22 123.437 123.437 122.675 0.762 25706 4531 1 11 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.196 -0.130 25706 4532 1 11 . 1 1 22 22 ALA C C 22 180.273 180.273 178.609 1.664 25706 4533 1 11 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.997 0.490 25706 4534 1 11 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.536 -0.305 25706 4535 1 11 . 1 1 22 22 ALA H H 22 7.982 7.982 7.616 0.366 25706 4536 1 11 . 1 1 23 23 VAL N N 23 119.580 119.580 119.210 0.370 25706 4537 1 11 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.290 -0.057 25706 4538 1 11 . 1 1 23 23 VAL C C 23 180.144 180.144 178.318 1.826 25706 4539 1 11 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.462 1.012 25706 4540 1 11 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.401 0.810 25706 4541 1 11 . 1 1 23 23 VAL H H 23 8.382 8.382 7.421 0.961 25706 4542 1 11 . 1 1 24 24 ARG N N 24 122.585 122.585 120.507 2.078 25706 4543 1 11 . 1 1 24 24 ARG HA H 24 3.921 3.921 3.952 -0.031 25706 4544 1 11 . 1 1 24 24 ARG C C 24 177.169 177.169 177.411 -0.242 25706 4545 1 11 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.319 1.195 25706 4546 1 11 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.001 -0.106 25706 4547 1 11 . 1 1 24 24 ARG H H 24 8.589 8.589 8.415 0.174 25706 4548 1 11 . 1 1 25 25 ASP N N 25 115.538 115.538 117.344 -1.806 25706 4549 1 11 . 1 1 25 25 ASP C C 25 175.579 175.579 175.690 -0.111 25706 4550 1 11 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.257 1.096 25706 4551 1 11 . 1 1 25 25 ASP CB C 25 40.715 40.715 41.494 -0.779 25706 4552 1 11 . 1 1 25 25 ASP H H 25 8.083 8.083 7.740 0.343 25706 4553 1 11 . 1 1 26 26 ASN N N 26 113.668 113.668 113.735 -0.067 25706 4554 1 11 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.400 0.092 25706 4555 1 11 . 1 1 26 26 ASN C C 26 174.953 174.953 175.375 -0.422 25706 4556 1 11 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.871 0.352 25706 4557 1 11 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.468 0.983 25706 4558 1 11 . 1 1 26 26 ASN H H 26 7.860 7.860 7.964 -0.104 25706 4559 1 11 . 1 1 27 27 ARG N N 27 117.078 117.078 118.008 -0.930 25706 4560 1 11 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.449 -0.146 25706 4561 1 11 . 1 1 27 27 ARG C C 27 176.011 176.011 175.949 0.062 25706 4562 1 11 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.522 1.060 25706 4563 1 11 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.324 0.050 25706 4564 1 11 . 1 1 27 27 ARG H H 27 8.700 8.700 8.315 0.385 25706 4565 1 11 . 1 1 28 28 LEU N N 28 119.538 119.538 121.219 -1.681 25706 4566 1 11 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.690 -0.064 25706 4567 1 11 . 1 1 28 28 LEU C C 28 175.563 175.563 175.312 0.251 25706 4568 1 11 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.978 0.425 25706 4569 1 11 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.068 1.652 25706 4570 1 11 . 1 1 28 28 LEU H H 28 7.101 7.101 7.552 -0.451 25706 4571 1 11 . 1 1 29 29 SER N N 29 119.714 119.714 119.477 0.237 25706 4572 1 11 . 1 1 29 29 SER HA H 29 4.512 4.512 4.626 -0.114 25706 4573 1 11 . 1 1 29 29 SER C C 29 174.769 174.769 175.766 -0.997 25706 4574 1 11 . 1 1 29 29 SER CA C 29 56.883 56.883 57.457 -0.574 25706 4575 1 11 . 1 1 29 29 SER CB C 29 65.067 65.067 64.715 0.352 25706 4576 1 11 . 1 1 29 29 SER H H 29 8.885 8.885 8.502 0.383 25706 4577 1 11 . 1 1 30 30 ILE N N 30 121.990 121.990 124.438 -2.448 25706 4578 1 11 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.720 -0.156 25706 4579 1 11 . 1 1 30 30 ILE C C 30 177.419 177.419 177.846 -0.427 25706 4580 1 11 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.931 0.775 25706 4581 1 11 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.516 -0.384 25706 4582 1 11 . 1 1 30 30 ILE H H 30 8.953 8.953 8.840 0.113 25706 4583 1 11 . 1 1 31 31 GLU N N 31 117.222 117.222 117.634 -0.412 25706 4584 1 11 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.166 -0.303 25706 4585 1 11 . 1 1 31 31 GLU C C 31 179.559 179.559 179.106 0.453 25706 4586 1 11 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.026 1.488 25706 4587 1 11 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.149 -0.103 25706 4588 1 11 . 1 1 31 31 GLU H H 31 8.669 8.669 8.594 0.075 25706 4589 1 11 . 1 1 32 32 GLN N N 32 118.595 118.595 119.338 -0.743 25706 4590 1 11 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.167 -0.122 25706 4591 1 11 . 1 1 32 32 GLN C C 32 179.113 179.113 178.318 0.795 25706 4592 1 11 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.353 0.148 25706 4593 1 11 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.141 1.145 25706 4594 1 11 . 1 1 32 32 GLN H H 32 7.949 7.949 7.531 0.418 25706 4595 1 11 . 1 1 33 33 ALA N N 33 123.062 123.062 121.817 1.245 25706 4596 1 11 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.118 -0.205 25706 4597 1 11 . 1 1 33 33 ALA C C 33 178.918 178.918 179.410 -0.492 25706 4598 1 11 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.923 0.615 25706 4599 1 11 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.352 0.794 25706 4600 1 11 . 1 1 33 33 ALA H H 33 8.520 8.520 8.356 0.164 25706 4601 1 11 . 1 1 34 34 VAL N N 34 115.551 115.551 117.539 -1.988 25706 4602 1 11 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.828 -0.445 25706 4603 1 11 . 1 1 34 34 VAL C C 34 179.013 179.013 177.990 1.023 25706 4604 1 11 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.329 0.702 25706 4605 1 11 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.638 -0.063 25706 4606 1 11 . 1 1 34 34 VAL H H 34 8.469 8.469 7.398 1.071 25706 4607 1 11 . 1 1 35 35 THR N N 35 114.806 114.806 116.756 -1.950 25706 4608 1 11 . 1 1 35 35 THR HA H 35 4.012 4.012 4.378 -0.366 25706 4609 1 11 . 1 1 35 35 THR C C 35 176.151 176.151 177.008 -0.857 25706 4610 1 11 . 1 1 35 35 THR CA C 35 65.944 65.944 65.773 0.171 25706 4611 1 11 . 1 1 35 35 THR CB C 35 68.902 68.902 68.499 0.403 25706 4612 1 11 . 1 1 35 35 THR H H 35 7.598 7.598 8.072 -0.474 25706 4613 1 11 . 1 1 36 36 LEU N N 36 120.922 120.922 120.016 0.906 25706 4614 1 11 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.239 -0.056 25706 4615 1 11 . 1 1 36 36 LEU C C 36 177.940 177.940 176.980 0.960 25706 4616 1 11 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.191 0.418 25706 4617 1 11 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.733 0.544 25706 4618 1 11 . 1 1 36 36 LEU H H 36 7.516 7.516 7.947 -0.431 25706 4619 1 11 . 1 1 37 37 LEU N N 37 118.066 118.066 118.540 -0.474 25706 4620 1 11 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.402 -0.065 25706 4621 1 11 . 1 1 37 37 LEU C C 37 177.013 177.013 176.879 0.134 25706 4622 1 11 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.963 -1.086 25706 4623 1 11 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.655 -0.634 25706 4624 1 11 . 1 1 37 37 LEU H H 37 7.444 7.444 7.399 0.045 25706 4625 1 11 . 1 1 38 38 THR N N 38 116.689 116.689 113.829 2.860 25706 4626 1 11 . 1 1 38 38 THR HA H 38 4.469 4.469 4.780 -0.311 25706 4627 1 11 . 1 1 38 38 THR CA C 38 61.736 61.736 60.140 1.596 25706 4628 1 11 . 1 1 38 38 THR CB C 38 69.544 69.544 70.056 -0.512 25706 4629 1 11 . 1 1 38 38 THR H H 38 7.925 7.925 8.318 -0.393 25706 4630 1 11 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.466 0.007 25706 4631 1 11 . 1 1 39 39 PRO C C 39 177.055 177.055 176.611 0.444 25706 4632 1 11 . 1 1 39 39 PRO CA C 39 63.505 63.505 63.022 0.483 25706 4633 1 11 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.163 -0.023 25706 4634 1 11 . 1 1 40 40 ARG N N 40 120.701 120.701 123.484 -2.783 25706 4635 1 11 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.877 -0.570 25706 4636 1 11 . 1 1 40 40 ARG C C 40 176.527 176.527 176.119 0.408 25706 4637 1 11 . 1 1 40 40 ARG CA C 40 56.307 56.307 54.300 2.007 25706 4638 1 11 . 1 1 40 40 ARG CB C 40 30.797 30.797 31.537 -0.740 25706 4639 1 11 . 1 1 40 40 ARG H H 40 8.384 8.384 8.572 -0.188 25706 4640 1 11 . 1 1 41 41 ARG N N 41 121.467 121.467 120.485 0.982 25706 4641 1 11 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.590 -0.209 25706 4642 1 11 . 1 1 41 41 ARG C C 41 176.791 176.791 176.232 0.559 25706 4643 1 11 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.062 1.165 25706 4644 1 11 . 1 1 41 41 ARG CB C 41 30.869 30.869 31.543 -0.674 25706 4645 1 11 . 1 1 41 41 ARG H H 41 8.367 8.367 8.702 -0.335 25706 4646 1 11 . 1 1 42 42 GLY N N 42 110.418 110.418 108.635 1.783 25706 4647 1 11 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.070 0.277 25706 4648 1 11 . 1 1 42 42 GLY H H 42 8.538 8.538 8.186 0.352 25706 4649 1 11 . 1 1 44 44 GLY C C 44 174.487 174.487 174.752 -0.265 25706 4650 1 11 . 1 1 45 45 SER N N 45 115.788 115.788 115.602 0.186 25706 4651 1 11 . 1 1 45 45 SER HA H 45 4.515 4.515 4.544 -0.029 25706 4652 1 11 . 1 1 45 45 SER C C 45 175.337 175.337 174.963 0.374 25706 4653 1 11 . 1 1 45 45 SER CA C 45 58.590 58.590 58.004 0.586 25706 4654 1 11 . 1 1 45 45 SER CB C 45 63.920 63.920 63.775 0.145 25706 4655 1 11 . 1 1 45 45 SER H H 45 8.422 8.422 8.559 -0.137 25706 4656 1 11 . 1 1 46 46 GLY N N 46 111.003 111.003 109.367 1.636 25706 4657 1 11 . 1 1 46 46 GLY C C 46 174.837 174.837 173.462 1.375 25706 4658 1 11 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.670 0.827 25706 4659 1 11 . 1 1 46 46 GLY H H 46 8.600 8.600 7.708 0.892 25706 4660 1 11 . 1 1 47 47 GLY N N 47 108.933 108.933 106.440 2.493 25706 4661 1 11 . 1 1 47 47 GLY C C 47 174.864 174.864 173.416 1.448 25706 4662 1 11 . 1 1 47 47 GLY H H 47 8.398 8.398 8.031 0.367 25706 4663 1 11 . 1 1 48 48 GLY N N 48 108.905 108.905 107.557 1.348 25706 4664 1 11 . 1 1 48 48 GLY C C 48 174.496 174.496 174.090 0.406 25706 4665 1 11 . 1 1 48 48 GLY H H 48 8.418 8.418 8.343 0.075 25706 4666 1 11 . 1 1 49 49 SER N N 49 115.575 115.575 113.820 1.755 25706 4667 1 11 . 1 1 49 49 SER HA H 49 4.439 4.439 4.681 -0.242 25706 4668 1 11 . 1 1 49 49 SER C C 49 174.539 174.539 173.746 0.793 25706 4669 1 11 . 1 1 49 49 SER CA C 49 58.826 58.826 56.606 2.220 25706 4670 1 11 . 1 1 49 49 SER CB C 49 64.100 64.100 63.979 0.121 25706 4671 1 11 . 1 1 49 49 SER H H 49 8.292 8.292 7.657 0.635 25706 4672 1 11 . 1 1 50 50 MET N N 50 121.907 121.907 122.611 -0.704 25706 4673 1 11 . 1 1 50 50 MET HA H 50 4.445 4.445 4.452 -0.007 25706 4674 1 11 . 1 1 50 50 MET C C 50 175.456 175.456 175.137 0.319 25706 4675 1 11 . 1 1 50 50 MET CA C 50 55.951 55.951 54.364 1.587 25706 4676 1 11 . 1 1 50 50 MET CB C 50 33.967 33.967 30.994 2.973 25706 4677 1 11 . 1 1 50 50 MET H H 50 8.310 8.310 8.826 -0.516 25706 4678 1 11 . 1 1 51 51 ASP N N 51 122.904 122.904 121.591 1.313 25706 4679 1 11 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.639 0.002 25706 4680 1 11 . 1 1 51 51 ASP C C 51 176.239 176.239 177.244 -1.005 25706 4681 1 11 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.278 -0.767 25706 4682 1 11 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.265 -0.752 25706 4683 1 11 . 1 1 51 51 ASP H H 51 8.506 8.506 7.932 0.574 25706 4684 1 11 . 1 1 52 52 ALA N N 52 123.354 123.354 124.887 -1.533 25706 4685 1 11 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.991 -0.145 25706 4686 1 11 . 1 1 52 52 ALA C C 52 178.517 178.517 179.082 -0.565 25706 4687 1 11 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.687 -0.089 25706 4688 1 11 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.923 -0.306 25706 4689 1 11 . 1 1 52 52 ALA H H 52 8.506 8.506 8.598 -0.092 25706 4690 1 11 . 1 1 53 53 LYS N N 53 117.034 117.034 118.466 -1.432 25706 4691 1 11 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.002 -0.404 25706 4692 1 11 . 1 1 53 53 LYS C C 53 179.171 179.171 178.108 1.063 25706 4693 1 11 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.786 0.616 25706 4694 1 11 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.078 -0.020 25706 4695 1 11 . 1 1 53 53 LYS H H 53 8.407 8.407 8.279 0.128 25706 4696 1 11 . 1 1 54 54 GLU N N 54 123.212 123.212 120.037 3.175 25706 4697 1 11 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.149 -0.076 25706 4698 1 11 . 1 1 54 54 GLU C C 54 178.526 178.526 178.986 -0.460 25706 4699 1 11 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.151 0.592 25706 4700 1 11 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.555 -0.217 25706 4701 1 11 . 1 1 54 54 GLU H H 54 8.005 8.005 7.694 0.311 25706 4702 1 11 . 1 1 55 55 ILE N N 55 119.567 119.567 121.602 -2.035 25706 4703 1 11 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.704 -0.275 25706 4704 1 11 . 1 1 55 55 ILE C C 55 177.999 177.999 178.262 -0.263 25706 4705 1 11 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.633 -0.021 25706 4706 1 11 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.829 0.882 25706 4707 1 11 . 1 1 55 55 ILE H H 55 8.088 8.088 8.266 -0.178 25706 4708 1 11 . 1 1 56 56 LEU N N 56 116.646 116.646 120.276 -3.630 25706 4709 1 11 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.119 -0.115 25706 4710 1 11 . 1 1 56 56 LEU C C 56 178.636 178.636 179.316 -0.680 25706 4711 1 11 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.215 -0.151 25706 4712 1 11 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.583 2.361 25706 4713 1 11 . 1 1 56 56 LEU H H 56 8.477 8.477 8.514 -0.037 25706 4714 1 11 . 1 1 57 57 THR N N 57 117.148 117.148 116.124 1.024 25706 4715 1 11 . 1 1 57 57 THR HA H 57 3.833 3.833 3.900 -0.066 25706 4716 1 11 . 1 1 57 57 THR C C 57 175.836 175.836 176.874 -1.038 25706 4717 1 11 . 1 1 57 57 THR CA C 57 67.615 67.615 67.370 0.245 25706 4718 1 11 . 1 1 57 57 THR CB C 57 68.860 68.860 68.585 0.275 25706 4719 1 11 . 1 1 57 57 THR H H 57 8.260 8.260 8.519 -0.259 25706 4720 1 11 . 1 1 58 58 ARG N N 58 120.818 120.818 121.097 -0.279 25706 4721 1 11 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.055 0.193 25706 4722 1 11 . 1 1 58 58 ARG C C 58 179.476 179.476 178.769 0.707 25706 4723 1 11 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.627 -0.352 25706 4724 1 11 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.104 0.444 25706 4725 1 11 . 1 1 58 58 ARG H H 58 8.202 8.202 8.352 -0.150 25706 4726 1 11 . 1 1 59 59 PHE N N 59 119.668 119.668 121.651 -1.983 25706 4727 1 11 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.418 0.330 25706 4728 1 11 . 1 1 59 59 PHE C C 59 178.260 178.260 177.157 1.103 25706 4729 1 11 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.003 0.274 25706 4730 1 11 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.450 -0.230 25706 4731 1 11 . 1 1 59 59 PHE H H 59 8.615 8.615 8.264 0.351 25706 4732 1 11 . 1 1 60 60 LYS N N 60 123.687 123.687 119.641 4.046 25706 4733 1 11 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.825 -0.338 25706 4734 1 11 . 1 1 60 60 LYS C C 60 177.801 177.801 178.173 -0.372 25706 4735 1 11 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.087 0.738 25706 4736 1 11 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.273 0.143 25706 4737 1 11 . 1 1 60 60 LYS H H 60 8.800 8.800 8.574 0.226 25706 4738 1 11 . 1 1 61 61 ASP N N 61 116.083 116.083 117.387 -1.304 25706 4739 1 11 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.496 0.097 25706 4740 1 11 . 1 1 61 61 ASP C C 61 177.052 177.052 176.808 0.244 25706 4741 1 11 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.819 0.100 25706 4742 1 11 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.135 -0.128 25706 4743 1 11 . 1 1 61 61 ASP H H 61 8.107 8.107 7.950 0.157 25706 4744 1 11 . 1 1 62 62 GLY N N 62 107.294 107.294 105.818 1.476 25706 4745 1 11 . 1 1 62 62 GLY C C 62 175.018 175.018 175.850 -0.832 25706 4746 1 11 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.256 0.129 25706 4747 1 11 . 1 1 62 62 GLY H H 62 7.625 7.625 7.280 0.345 25706 4748 1 11 . 1 1 63 63 GLY N N 63 109.718 109.718 108.451 1.267 25706 4749 1 11 . 1 1 63 63 GLY C C 63 173.393 173.393 174.746 -1.353 25706 4750 1 11 . 1 1 63 63 GLY CA C 63 45.737 45.737 45.087 0.649 25706 4751 1 11 . 1 1 63 63 GLY H H 63 8.687 8.687 7.920 0.767 25706 4752 1 11 . 1 1 64 64 LEU N N 64 119.332 119.332 122.473 -3.141 25706 4753 1 11 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.729 -0.011 25706 4754 1 11 . 1 1 64 64 LEU C C 64 175.357 175.357 175.414 -0.057 25706 4755 1 11 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.773 0.165 25706 4756 1 11 . 1 1 64 64 LEU CB C 64 47.077 47.077 44.869 2.208 25706 4757 1 11 . 1 1 64 64 LEU H H 64 7.034 7.034 7.504 -0.470 25706 4758 1 11 . 1 1 65 65 ASP N N 65 121.569 121.569 124.602 -3.033 25706 4759 1 11 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.826 -0.033 25706 4760 1 11 . 1 1 65 65 ASP C C 65 175.652 175.652 176.892 -1.240 25706 4761 1 11 . 1 1 65 65 ASP CA C 65 52.877 52.877 53.780 -0.903 25706 4762 1 11 . 1 1 65 65 ASP CB C 65 41.818 41.818 43.116 -1.298 25706 4763 1 11 . 1 1 65 65 ASP H H 65 8.287 8.287 8.664 -0.377 25706 4764 1 11 . 1 1 66 66 ARG N N 66 120.199 120.199 120.851 -0.652 25706 4765 1 11 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.934 -0.179 25706 4766 1 11 . 1 1 66 66 ARG C C 66 177.271 177.271 178.001 -0.730 25706 4767 1 11 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.497 1.067 25706 4768 1 11 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.136 0.714 25706 4769 1 11 . 1 1 66 66 ARG H H 66 8.860 8.860 9.035 -0.175 25706 4770 1 11 . 1 1 67 67 ALA N N 67 120.212 120.212 121.204 -0.992 25706 4771 1 11 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.429 -0.345 25706 4772 1 11 . 1 1 67 67 ALA C C 67 181.015 181.015 179.495 1.520 25706 4773 1 11 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.721 0.455 25706 4774 1 11 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.220 -0.379 25706 4775 1 11 . 1 1 67 67 ALA H H 67 8.339 8.339 8.178 0.161 25706 4776 1 11 . 1 1 68 68 ALA N N 68 122.433 122.433 120.728 1.705 25706 4777 1 11 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.043 0.112 25706 4778 1 11 . 1 1 68 68 ALA C C 68 180.071 180.071 179.349 0.722 25706 4779 1 11 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.763 0.187 25706 4780 1 11 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.390 0.858 25706 4781 1 11 . 1 1 68 68 ALA H H 68 8.184 8.184 8.622 -0.438 25706 4782 1 11 . 1 1 69 69 ALA N N 69 119.845 119.845 121.141 -1.296 25706 4783 1 11 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.842 -0.010 25706 4784 1 11 . 1 1 69 69 ALA C C 69 178.826 178.826 179.769 -0.943 25706 4785 1 11 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.059 0.471 25706 4786 1 11 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.757 0.220 25706 4787 1 11 . 1 1 69 69 ALA H H 69 8.511 8.511 8.266 0.245 25706 4788 1 11 . 1 1 70 70 GLN N N 70 116.137 116.137 118.124 -1.987 25706 4789 1 11 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.826 -0.226 25706 4790 1 11 . 1 1 70 70 GLN C C 70 177.832 177.832 178.479 -0.647 25706 4791 1 11 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.949 1.101 25706 4792 1 11 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.551 -0.376 25706 4793 1 11 . 1 1 70 70 GLN H H 70 8.528 8.528 8.268 0.260 25706 4794 1 11 . 1 1 71 71 ALA N N 71 120.118 120.118 123.143 -3.025 25706 4795 1 11 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.989 0.074 25706 4796 1 11 . 1 1 71 71 ALA C C 71 180.495 180.495 179.357 1.138 25706 4797 1 11 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.305 -0.127 25706 4798 1 11 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.471 -0.575 25706 4799 1 11 . 1 1 71 71 ALA H H 71 7.625 7.625 7.696 -0.071 25706 4800 1 11 . 1 1 72 72 LEU N N 72 117.959 117.959 118.603 -0.644 25706 4801 1 11 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.252 -0.079 25706 4802 1 11 . 1 1 72 72 LEU C C 72 180.674 180.674 179.692 0.982 25706 4803 1 11 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.246 0.308 25706 4804 1 11 . 1 1 72 72 LEU CB C 72 42.767 42.767 42.069 0.698 25706 4805 1 11 . 1 1 72 72 LEU H H 72 8.068 8.068 8.173 -0.105 25706 4806 1 11 . 1 1 73 73 LEU N N 73 119.237 119.237 118.394 0.843 25706 4807 1 11 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.017 0.097 25706 4808 1 11 . 1 1 73 73 LEU C C 73 177.691 177.691 178.954 -1.263 25706 4809 1 11 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.069 -0.345 25706 4810 1 11 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.855 0.734 25706 4811 1 11 . 1 1 73 73 LEU H H 73 8.251 8.251 8.038 0.213 25706 4812 1 11 . 1 1 74 74 ALA N N 74 120.421 120.421 119.382 1.039 25706 4813 1 11 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.328 -0.040 25706 4814 1 11 . 1 1 74 74 ALA C C 74 178.222 178.222 177.878 0.344 25706 4815 1 11 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.194 0.667 25706 4816 1 11 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.070 0.128 25706 4817 1 11 . 1 1 74 74 ALA H H 74 7.765 7.765 7.981 -0.216 25706 4818 1 11 . 1 1 75 75 GLY N N 75 106.485 106.485 106.124 0.361 25706 4819 1 11 . 1 1 75 75 GLY C C 75 174.299 174.299 174.783 -0.484 25706 4820 1 11 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.085 0.702 25706 4821 1 11 . 1 1 75 75 GLY H H 75 7.895 7.895 7.554 0.341 25706 4822 1 11 . 1 1 76 76 ARG N N 76 119.703 119.703 120.966 -1.263 25706 4823 1 11 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.573 -0.071 25706 4824 1 11 . 1 1 76 76 ARG C C 76 175.750 175.750 176.239 -0.489 25706 4825 1 11 . 1 1 76 76 ARG CA C 76 55.407 55.407 55.358 0.049 25706 4826 1 11 . 1 1 76 76 ARG CB C 76 31.303 31.303 31.614 -0.311 25706 4827 1 11 . 1 1 76 76 ARG H H 76 8.110 8.110 8.316 -0.206 25706 4828 1 11 . 1 1 77 77 THR N N 77 116.771 116.771 114.198 2.573 25706 4829 1 11 . 1 1 77 77 THR HA H 77 4.582 4.582 4.551 0.031 25706 4830 1 11 . 1 1 77 77 THR CA C 77 59.920 59.920 59.734 0.186 25706 4831 1 11 . 1 1 77 77 THR CB C 77 69.810 69.810 68.269 1.541 25706 4832 1 11 . 1 1 77 77 THR H H 77 8.181 8.181 8.184 -0.003 25706 4833 1 11 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.389 -0.021 25706 4834 1 11 . 1 1 78 78 PRO C C 78 176.366 176.366 177.588 -1.222 25706 4835 1 11 . 1 1 78 78 PRO CA C 78 63.154 63.154 63.228 -0.074 25706 4836 1 11 . 1 1 78 78 PRO CB C 78 32.108 32.108 31.797 0.311 25706 4837 1 11 . 1 1 79 79 ALA N N 79 124.715 124.715 118.794 5.921 25706 4838 1 11 . 1 1 79 79 ALA HA H 79 4.246 4.246 3.959 0.287 25706 4839 1 11 . 1 1 79 79 ALA C C 79 177.314 177.314 177.218 0.096 25706 4840 1 11 . 1 1 79 79 ALA CA C 79 52.398 52.398 52.743 -0.345 25706 4841 1 11 . 1 1 79 79 ALA CB C 79 19.306 19.306 17.937 1.369 25706 4842 1 11 . 1 1 79 79 ALA H H 79 8.417 8.417 8.619 -0.202 25706 4843 1 11 . 1 1 80 80 ALA N N 80 123.467 123.467 121.480 1.987 25706 4844 1 11 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.295 -0.005 25706 4845 1 11 . 1 1 80 80 ALA C C 80 177.000 177.000 176.563 0.437 25706 4846 1 11 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.195 -0.185 25706 4847 1 11 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.699 -0.252 25706 4848 1 11 . 1 1 80 80 ALA H H 80 8.232 8.232 8.023 0.209 25706 4849 1 11 . 1 1 81 81 ALA N N 81 125.029 125.029 123.379 1.650 25706 4850 1 11 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.683 -0.121 25706 4851 1 11 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.405 0.026 25706 4852 1 11 . 1 1 81 81 ALA CB C 81 19.480 19.480 20.183 -0.703 25706 4853 1 11 . 1 1 81 81 ALA H H 81 8.250 8.250 8.156 0.094 25706 4854 1 11 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.444 -0.032 25706 4855 1 11 . 1 1 82 82 PRO C C 82 176.531 176.531 176.408 0.123 25706 4856 1 11 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.913 0.085 25706 4857 1 11 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.991 1.091 25706 4858 1 11 . 1 1 83 83 ARG N N 83 122.956 122.956 123.568 -0.612 25706 4859 1 11 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.116 0.495 25706 4860 1 11 . 1 1 83 83 ARG CA C 83 53.778 53.778 55.946 -2.168 25706 4861 1 11 . 1 1 83 83 ARG CB C 83 30.242 30.242 28.886 1.356 25706 4862 1 11 . 1 1 83 83 ARG H H 83 8.384 8.384 8.143 0.241 25706 4863 1 12 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.445 0.027 25706 4864 1 12 . 1 1 2 2 PRO C C 2 177.459 177.459 177.889 -0.430 25706 4865 1 12 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.839 0.735 25706 4866 1 12 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.492 -0.346 25706 4867 1 12 . 1 1 3 3 GLY N N 3 109.882 109.882 109.226 0.656 25706 4868 1 12 . 1 1 3 3 GLY C C 3 174.103 174.103 173.865 0.238 25706 4869 1 12 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.331 -0.059 25706 4870 1 12 . 1 1 3 3 GLY H H 3 8.645 8.645 8.850 -0.205 25706 4871 1 12 . 1 1 4 4 SER N N 4 115.534 115.534 114.680 0.854 25706 4872 1 12 . 1 1 4 4 SER HA H 4 4.438 4.438 4.634 -0.196 25706 4873 1 12 . 1 1 4 4 SER C C 4 174.137 174.137 173.365 0.772 25706 4874 1 12 . 1 1 4 4 SER CA C 4 58.319 58.319 57.578 0.741 25706 4875 1 12 . 1 1 4 4 SER CB C 4 63.864 63.864 64.235 -0.371 25706 4876 1 12 . 1 1 4 4 SER H H 4 8.127 8.127 8.468 -0.341 25706 4877 1 12 . 1 1 5 5 TYR N N 5 122.533 122.533 123.845 -1.312 25706 4878 1 12 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.571 0.099 25706 4879 1 12 . 1 1 5 5 TYR C C 5 176.109 176.109 176.398 -0.289 25706 4880 1 12 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.983 0.132 25706 4881 1 12 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.232 -0.377 25706 4882 1 12 . 1 1 5 5 TYR H H 5 8.349 8.349 8.515 -0.166 25706 4883 1 12 . 1 1 6 6 THR N N 6 116.290 116.290 116.388 -0.098 25706 4884 1 12 . 1 1 6 6 THR HA H 6 4.305 4.305 4.069 0.236 25706 4885 1 12 . 1 1 6 6 THR C C 6 174.899 174.899 174.469 0.430 25706 4886 1 12 . 1 1 6 6 THR CA C 6 61.743 61.743 62.503 -0.760 25706 4887 1 12 . 1 1 6 6 THR CB C 6 69.859 69.859 68.867 0.992 25706 4888 1 12 . 1 1 6 6 THR H H 6 8.177 8.177 7.269 0.908 25706 4889 1 12 . 1 1 7 7 GLY N N 7 110.576 110.576 110.927 -0.351 25706 4890 1 12 . 1 1 7 7 GLY C C 7 173.596 173.596 174.192 -0.596 25706 4891 1 12 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.433 0.914 25706 4892 1 12 . 1 1 7 7 GLY H H 7 7.646 7.646 8.172 -0.526 25706 4893 1 12 . 1 1 8 8 ALA N N 8 123.499 123.499 122.688 0.811 25706 4894 1 12 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.425 -0.070 25706 4895 1 12 . 1 1 8 8 ALA C C 8 178.119 178.119 178.212 -0.093 25706 4896 1 12 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.522 0.025 25706 4897 1 12 . 1 1 8 8 ALA CB C 8 19.387 19.387 18.808 0.579 25706 4898 1 12 . 1 1 8 8 ALA H H 8 8.171 8.171 8.693 -0.522 25706 4899 1 12 . 1 1 9 9 GLY N N 9 108.467 108.467 107.488 0.979 25706 4900 1 12 . 1 1 9 9 GLY C C 9 173.664 173.664 173.464 0.200 25706 4901 1 12 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.259 0.870 25706 4902 1 12 . 1 1 9 9 GLY H H 9 8.398 8.398 7.607 0.791 25706 4903 1 12 . 1 1 10 10 GLU N N 10 121.535 121.535 121.561 -0.026 25706 4904 1 12 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.478 0.120 25706 4905 1 12 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.342 -0.090 25706 4906 1 12 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.809 0.150 25706 4907 1 12 . 1 1 10 10 GLU H H 10 8.230 8.230 8.354 -0.124 25706 4908 1 12 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.411 0.043 25706 4909 1 12 . 1 1 11 11 PRO C C 11 176.799 176.799 176.297 0.502 25706 4910 1 12 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.251 0.051 25706 4911 1 12 . 1 1 11 11 PRO CB C 11 32.024 32.024 31.883 0.141 25706 4912 1 12 . 1 1 12 12 SER N N 12 117.122 117.122 119.583 -2.461 25706 4913 1 12 . 1 1 12 12 SER HA H 12 4.469 4.469 4.516 -0.047 25706 4914 1 12 . 1 1 12 12 SER C C 12 174.904 174.904 176.127 -1.223 25706 4915 1 12 . 1 1 12 12 SER CA C 12 57.876 57.876 57.692 0.184 25706 4916 1 12 . 1 1 12 12 SER CB C 12 64.624 64.624 64.525 0.099 25706 4917 1 12 . 1 1 12 12 SER H H 12 8.721 8.721 8.482 0.239 25706 4918 1 12 . 1 1 13 13 GLN N N 13 121.678 121.678 124.873 -3.195 25706 4919 1 12 . 1 1 13 13 GLN HA H 13 4.120 4.120 3.965 0.155 25706 4920 1 12 . 1 1 13 13 GLN C C 13 178.113 178.113 177.241 0.872 25706 4921 1 12 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.822 -0.965 25706 4922 1 12 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.075 0.668 25706 4923 1 12 . 1 1 13 13 GLN H H 13 8.660 8.660 9.022 -0.362 25706 4924 1 12 . 1 1 14 14 ALA N N 14 122.557 122.557 121.737 0.820 25706 4925 1 12 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.167 0.041 25706 4926 1 12 . 1 1 14 14 ALA C C 14 179.168 179.168 179.172 -0.004 25706 4927 1 12 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.700 -0.637 25706 4928 1 12 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.009 0.965 25706 4929 1 12 . 1 1 14 14 ALA H H 14 8.251 8.251 8.421 -0.170 25706 4930 1 12 . 1 1 15 15 ASP N N 15 120.191 120.191 120.209 -0.018 25706 4931 1 12 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.505 -0.010 25706 4932 1 12 . 1 1 15 15 ASP C C 15 178.121 178.121 178.546 -0.425 25706 4933 1 12 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.966 -1.463 25706 4934 1 12 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.767 -0.182 25706 4935 1 12 . 1 1 15 15 ASP H H 15 8.049 8.049 7.719 0.330 25706 4936 1 12 . 1 1 16 16 LEU N N 16 122.661 122.661 120.996 1.665 25706 4937 1 12 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.870 0.133 25706 4938 1 12 . 1 1 16 16 LEU C C 16 178.320 178.320 178.413 -0.093 25706 4939 1 12 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.157 -0.422 25706 4940 1 12 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.841 0.076 25706 4941 1 12 . 1 1 16 16 LEU H H 16 8.258 8.258 8.414 -0.156 25706 4942 1 12 . 1 1 17 17 ASP N N 17 119.364 119.364 118.993 0.371 25706 4943 1 12 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.226 0.017 25706 4944 1 12 . 1 1 17 17 ASP C C 17 178.534 178.534 178.149 0.385 25706 4945 1 12 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.656 0.438 25706 4946 1 12 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.740 0.715 25706 4947 1 12 . 1 1 17 17 ASP H H 17 8.299 8.299 8.083 0.216 25706 4948 1 12 . 1 1 18 18 ALA N N 18 121.057 121.057 122.136 -1.079 25706 4949 1 12 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.154 -0.029 25706 4950 1 12 . 1 1 18 18 ALA C C 18 180.942 180.942 179.488 1.454 25706 4951 1 12 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.018 -0.071 25706 4952 1 12 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.415 -0.198 25706 4953 1 12 . 1 1 18 18 ALA H H 18 7.851 7.851 7.460 0.391 25706 4954 1 12 . 1 1 19 19 LEU N N 19 122.159 122.159 119.861 2.298 25706 4955 1 12 . 1 1 19 19 LEU HA H 19 3.975 3.975 3.992 -0.017 25706 4956 1 12 . 1 1 19 19 LEU C C 19 178.447 178.447 178.891 -0.444 25706 4957 1 12 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.772 1.042 25706 4958 1 12 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.160 0.213 25706 4959 1 12 . 1 1 19 19 LEU H H 19 7.941 7.941 7.855 0.086 25706 4960 1 12 . 1 1 20 20 LEU N N 20 119.065 119.065 118.483 0.582 25706 4961 1 12 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.912 -0.202 25706 4962 1 12 . 1 1 20 20 LEU C C 20 179.763 179.763 178.938 0.825 25706 4963 1 12 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.246 0.151 25706 4964 1 12 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.410 -1.544 25706 4965 1 12 . 1 1 20 20 LEU H H 20 8.454 8.454 8.620 -0.166 25706 4966 1 12 . 1 1 21 21 SER N N 21 115.603 115.603 114.796 0.807 25706 4967 1 12 . 1 1 21 21 SER HA H 21 4.199 4.199 4.154 0.045 25706 4968 1 12 . 1 1 21 21 SER C C 21 175.002 175.002 176.640 -1.638 25706 4969 1 12 . 1 1 21 21 SER CA C 21 62.502 62.502 61.638 0.864 25706 4970 1 12 . 1 1 21 21 SER CB C 21 62.806 62.806 63.070 -0.264 25706 4971 1 12 . 1 1 21 21 SER H H 21 8.248 8.248 8.394 -0.146 25706 4972 1 12 . 1 1 22 22 ALA N N 22 123.437 123.437 123.609 -0.172 25706 4973 1 12 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.224 -0.158 25706 4974 1 12 . 1 1 22 22 ALA C C 22 180.273 180.273 179.008 1.265 25706 4975 1 12 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.897 0.590 25706 4976 1 12 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.494 -0.263 25706 4977 1 12 . 1 1 22 22 ALA H H 22 7.982 7.982 7.805 0.177 25706 4978 1 12 . 1 1 23 23 VAL N N 23 119.580 119.580 119.665 -0.085 25706 4979 1 12 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.206 0.027 25706 4980 1 12 . 1 1 23 23 VAL C C 23 180.144 180.144 178.110 2.034 25706 4981 1 12 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.286 1.188 25706 4982 1 12 . 1 1 23 23 VAL CB C 23 32.211 32.211 32.101 0.110 25706 4983 1 12 . 1 1 23 23 VAL H H 23 8.382 8.382 7.642 0.740 25706 4984 1 12 . 1 1 24 24 ARG N N 24 122.585 122.585 121.172 1.413 25706 4985 1 12 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.089 -0.168 25706 4986 1 12 . 1 1 24 24 ARG C C 24 177.169 177.169 177.330 -0.161 25706 4987 1 12 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.127 1.387 25706 4988 1 12 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.016 -0.121 25706 4989 1 12 . 1 1 24 24 ARG H H 24 8.589 8.589 8.479 0.110 25706 4990 1 12 . 1 1 25 25 ASP N N 25 115.538 115.538 116.763 -1.225 25706 4991 1 12 . 1 1 25 25 ASP C C 25 175.579 175.579 175.610 -0.031 25706 4992 1 12 . 1 1 25 25 ASP CA C 25 54.353 54.353 52.940 1.413 25706 4993 1 12 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.697 0.018 25706 4994 1 12 . 1 1 25 25 ASP H H 25 8.083 8.083 7.738 0.345 25706 4995 1 12 . 1 1 26 26 ASN N N 26 113.668 113.668 115.688 -2.020 25706 4996 1 12 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.411 0.081 25706 4997 1 12 . 1 1 26 26 ASN C C 26 174.953 174.953 175.623 -0.670 25706 4998 1 12 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.498 0.725 25706 4999 1 12 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.680 -0.229 25706 5000 1 12 . 1 1 26 26 ASN H H 26 7.860 7.860 7.895 -0.035 25706 5001 1 12 . 1 1 27 27 ARG N N 27 117.078 117.078 115.995 1.083 25706 5002 1 12 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.283 0.020 25706 5003 1 12 . 1 1 27 27 ARG C C 27 176.011 176.011 175.852 0.159 25706 5004 1 12 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.870 0.712 25706 5005 1 12 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.379 -0.005 25706 5006 1 12 . 1 1 27 27 ARG H H 27 8.700 8.700 8.380 0.320 25706 5007 1 12 . 1 1 28 28 LEU N N 28 119.538 119.538 120.627 -1.089 25706 5008 1 12 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.680 -0.054 25706 5009 1 12 . 1 1 28 28 LEU C C 28 175.563 175.563 175.371 0.192 25706 5010 1 12 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.008 0.395 25706 5011 1 12 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.194 1.526 25706 5012 1 12 . 1 1 28 28 LEU H H 28 7.101 7.101 7.589 -0.488 25706 5013 1 12 . 1 1 29 29 SER N N 29 119.714 119.714 120.415 -0.701 25706 5014 1 12 . 1 1 29 29 SER HA H 29 4.512 4.512 4.745 -0.233 25706 5015 1 12 . 1 1 29 29 SER C C 29 174.769 174.769 175.669 -0.900 25706 5016 1 12 . 1 1 29 29 SER CA C 29 56.883 56.883 57.079 -0.196 25706 5017 1 12 . 1 1 29 29 SER CB C 29 65.067 65.067 64.911 0.156 25706 5018 1 12 . 1 1 29 29 SER H H 29 8.885 8.885 8.724 0.161 25706 5019 1 12 . 1 1 30 30 ILE N N 30 121.990 121.990 123.995 -2.005 25706 5020 1 12 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.742 -0.178 25706 5021 1 12 . 1 1 30 30 ILE C C 30 177.419 177.419 177.853 -0.434 25706 5022 1 12 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.918 0.788 25706 5023 1 12 . 1 1 30 30 ILE CB C 30 37.132 37.132 36.851 0.281 25706 5024 1 12 . 1 1 30 30 ILE H H 30 8.953 8.953 8.840 0.113 25706 5025 1 12 . 1 1 31 31 GLU N N 31 117.222 117.222 118.797 -1.575 25706 5026 1 12 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.140 -0.277 25706 5027 1 12 . 1 1 31 31 GLU C C 31 179.559 179.559 179.192 0.367 25706 5028 1 12 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.543 0.971 25706 5029 1 12 . 1 1 31 31 GLU CB C 31 29.046 29.046 28.634 0.412 25706 5030 1 12 . 1 1 31 31 GLU H H 31 8.669 8.669 8.711 -0.042 25706 5031 1 12 . 1 1 32 32 GLN N N 32 118.595 118.595 119.192 -0.597 25706 5032 1 12 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.128 -0.083 25706 5033 1 12 . 1 1 32 32 GLN C C 32 179.113 179.113 178.153 0.960 25706 5034 1 12 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.752 -0.251 25706 5035 1 12 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.421 0.865 25706 5036 1 12 . 1 1 32 32 GLN H H 32 7.949 7.949 8.382 -0.433 25706 5037 1 12 . 1 1 33 33 ALA N N 33 123.062 123.062 121.885 1.177 25706 5038 1 12 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.123 -0.210 25706 5039 1 12 . 1 1 33 33 ALA C C 33 178.918 178.918 179.832 -0.914 25706 5040 1 12 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.891 0.647 25706 5041 1 12 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.320 0.826 25706 5042 1 12 . 1 1 33 33 ALA H H 33 8.520 8.520 8.317 0.203 25706 5043 1 12 . 1 1 34 34 VAL N N 34 115.551 115.551 118.103 -2.552 25706 5044 1 12 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.667 -0.284 25706 5045 1 12 . 1 1 34 34 VAL C C 34 179.013 179.013 177.836 1.177 25706 5046 1 12 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.408 0.623 25706 5047 1 12 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.872 -0.297 25706 5048 1 12 . 1 1 34 34 VAL H H 34 8.469 8.469 7.556 0.912 25706 5049 1 12 . 1 1 35 35 THR N N 35 114.806 114.806 115.162 -0.356 25706 5050 1 12 . 1 1 35 35 THR HA H 35 4.012 4.012 4.128 -0.116 25706 5051 1 12 . 1 1 35 35 THR C C 35 176.151 176.151 176.031 0.120 25706 5052 1 12 . 1 1 35 35 THR CA C 35 65.944 65.944 65.424 0.520 25706 5053 1 12 . 1 1 35 35 THR CB C 35 68.902 68.902 68.794 0.108 25706 5054 1 12 . 1 1 35 35 THR H H 35 7.598 7.598 7.920 -0.322 25706 5055 1 12 . 1 1 36 36 LEU N N 36 120.922 120.922 119.272 1.650 25706 5056 1 12 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.245 -0.062 25706 5057 1 12 . 1 1 36 36 LEU C C 36 177.940 177.940 177.748 0.192 25706 5058 1 12 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.245 0.365 25706 5059 1 12 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.276 0.001 25706 5060 1 12 . 1 1 36 36 LEU H H 36 7.516 7.516 7.998 -0.482 25706 5061 1 12 . 1 1 37 37 LEU N N 37 118.066 118.066 118.434 -0.368 25706 5062 1 12 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.243 0.094 25706 5063 1 12 . 1 1 37 37 LEU C C 37 177.013 177.013 177.114 -0.101 25706 5064 1 12 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.962 -1.085 25706 5065 1 12 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.407 0.614 25706 5066 1 12 . 1 1 37 37 LEU H H 37 7.444 7.444 7.141 0.303 25706 5067 1 12 . 1 1 38 38 THR N N 38 116.689 116.689 117.008 -0.319 25706 5068 1 12 . 1 1 38 38 THR HA H 38 4.469 4.469 4.393 0.076 25706 5069 1 12 . 1 1 38 38 THR CA C 38 61.736 61.736 62.067 -0.331 25706 5070 1 12 . 1 1 38 38 THR CB C 38 69.544 69.544 68.670 0.874 25706 5071 1 12 . 1 1 38 38 THR H H 38 7.925 7.925 7.590 0.335 25706 5072 1 12 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.601 -0.128 25706 5073 1 12 . 1 1 39 39 PRO C C 39 177.055 177.055 177.239 -0.184 25706 5074 1 12 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.022 1.483 25706 5075 1 12 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.665 -0.525 25706 5076 1 12 . 1 1 40 40 ARG N N 40 120.701 120.701 119.782 0.919 25706 5077 1 12 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.225 0.082 25706 5078 1 12 . 1 1 40 40 ARG C C 40 176.527 176.527 176.321 0.206 25706 5079 1 12 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.595 -1.288 25706 5080 1 12 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.443 0.354 25706 5081 1 12 . 1 1 40 40 ARG H H 40 8.384 8.384 8.606 -0.222 25706 5082 1 12 . 1 1 41 41 ARG N N 41 121.467 121.467 119.388 2.079 25706 5083 1 12 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.429 -0.048 25706 5084 1 12 . 1 1 41 41 ARG C C 41 176.791 176.791 176.778 0.013 25706 5085 1 12 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.345 0.882 25706 5086 1 12 . 1 1 41 41 ARG CB C 41 30.869 30.869 31.096 -0.228 25706 5087 1 12 . 1 1 41 41 ARG H H 41 8.367 8.367 7.717 0.650 25706 5088 1 12 . 1 1 42 42 GLY N N 42 110.418 110.418 111.061 -0.643 25706 5089 1 12 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.023 0.324 25706 5090 1 12 . 1 1 42 42 GLY H H 42 8.538 8.538 8.740 -0.202 25706 5091 1 12 . 1 1 44 44 GLY C C 44 174.487 174.487 173.833 0.654 25706 5092 1 12 . 1 1 45 45 SER N N 45 115.788 115.788 114.701 1.087 25706 5093 1 12 . 1 1 45 45 SER HA H 45 4.515 4.515 4.259 0.256 25706 5094 1 12 . 1 1 45 45 SER C C 45 175.337 175.337 174.712 0.625 25706 5095 1 12 . 1 1 45 45 SER CA C 45 58.590 58.590 57.851 0.739 25706 5096 1 12 . 1 1 45 45 SER CB C 45 63.920 63.920 63.162 0.758 25706 5097 1 12 . 1 1 45 45 SER H H 45 8.422 8.422 8.377 0.045 25706 5098 1 12 . 1 1 46 46 GLY N N 46 111.003 111.003 108.219 2.784 25706 5099 1 12 . 1 1 46 46 GLY C C 46 174.837 174.837 175.979 -1.142 25706 5100 1 12 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.444 1.053 25706 5101 1 12 . 1 1 46 46 GLY H H 46 8.600 8.600 7.968 0.632 25706 5102 1 12 . 1 1 47 47 GLY N N 47 108.933 108.933 108.394 0.539 25706 5103 1 12 . 1 1 47 47 GLY C C 47 174.864 174.864 174.838 0.026 25706 5104 1 12 . 1 1 47 47 GLY H H 47 8.398 8.398 8.761 -0.363 25706 5105 1 12 . 1 1 48 48 GLY N N 48 108.905 108.905 110.466 -1.561 25706 5106 1 12 . 1 1 48 48 GLY C C 48 174.496 174.496 176.073 -1.577 25706 5107 1 12 . 1 1 48 48 GLY H H 48 8.418 8.418 7.933 0.485 25706 5108 1 12 . 1 1 49 49 SER N N 49 115.575 115.575 121.149 -5.574 25706 5109 1 12 . 1 1 49 49 SER HA H 49 4.439 4.439 4.481 -0.042 25706 5110 1 12 . 1 1 49 49 SER C C 49 174.539 174.539 173.602 0.937 25706 5111 1 12 . 1 1 49 49 SER CA C 49 58.826 58.826 58.680 0.146 25706 5112 1 12 . 1 1 49 49 SER CB C 49 64.100 64.100 62.227 1.873 25706 5113 1 12 . 1 1 49 49 SER H H 49 8.292 8.292 8.455 -0.163 25706 5114 1 12 . 1 1 50 50 MET N N 50 121.907 121.907 122.061 -0.154 25706 5115 1 12 . 1 1 50 50 MET HA H 50 4.445 4.445 4.528 -0.083 25706 5116 1 12 . 1 1 50 50 MET C C 50 175.456 175.456 174.988 0.468 25706 5117 1 12 . 1 1 50 50 MET CA C 50 55.951 55.951 55.305 0.646 25706 5118 1 12 . 1 1 50 50 MET CB C 50 33.967 33.967 33.690 0.277 25706 5119 1 12 . 1 1 50 50 MET H H 50 8.310 8.310 7.570 0.740 25706 5120 1 12 . 1 1 51 51 ASP N N 51 122.904 122.904 124.393 -1.489 25706 5121 1 12 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.936 -0.295 25706 5122 1 12 . 1 1 51 51 ASP C C 51 176.239 176.239 175.851 0.388 25706 5123 1 12 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.728 -0.217 25706 5124 1 12 . 1 1 51 51 ASP CB C 51 41.513 41.513 44.030 -2.517 25706 5125 1 12 . 1 1 51 51 ASP H H 51 8.506 8.506 8.652 -0.146 25706 5126 1 12 . 1 1 52 52 ALA N N 52 123.354 123.354 126.763 -3.409 25706 5127 1 12 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.946 -0.100 25706 5128 1 12 . 1 1 52 52 ALA C C 52 178.517 178.517 178.897 -0.380 25706 5129 1 12 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.320 0.278 25706 5130 1 12 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.470 0.147 25706 5131 1 12 . 1 1 52 52 ALA H H 52 8.506 8.506 8.770 -0.264 25706 5132 1 12 . 1 1 53 53 LYS N N 53 117.034 117.034 118.847 -1.813 25706 5133 1 12 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.066 -0.468 25706 5134 1 12 . 1 1 53 53 LYS C C 53 179.171 179.171 178.813 0.358 25706 5135 1 12 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.308 1.094 25706 5136 1 12 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.652 0.406 25706 5137 1 12 . 1 1 53 53 LYS H H 53 8.407 8.407 8.525 -0.118 25706 5138 1 12 . 1 1 54 54 GLU N N 54 123.212 123.212 119.424 3.788 25706 5139 1 12 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.144 -0.071 25706 5140 1 12 . 1 1 54 54 GLU C C 54 178.526 178.526 178.843 -0.317 25706 5141 1 12 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.120 0.624 25706 5142 1 12 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.044 0.294 25706 5143 1 12 . 1 1 54 54 GLU H H 54 8.005 8.005 8.408 -0.403 25706 5144 1 12 . 1 1 55 55 ILE N N 55 119.567 119.567 120.812 -1.245 25706 5145 1 12 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.731 -0.302 25706 5146 1 12 . 1 1 55 55 ILE C C 55 177.999 177.999 178.255 -0.256 25706 5147 1 12 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.602 0.010 25706 5148 1 12 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.853 0.858 25706 5149 1 12 . 1 1 55 55 ILE H H 55 8.088 8.088 8.176 -0.088 25706 5150 1 12 . 1 1 56 56 LEU N N 56 116.646 116.646 120.281 -3.635 25706 5151 1 12 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.153 -0.149 25706 5152 1 12 . 1 1 56 56 LEU C C 56 178.636 178.636 179.579 -0.943 25706 5153 1 12 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.252 -0.188 25706 5154 1 12 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.405 2.539 25706 5155 1 12 . 1 1 56 56 LEU H H 56 8.477 8.477 8.614 -0.137 25706 5156 1 12 . 1 1 57 57 THR N N 57 117.148 117.148 115.818 1.330 25706 5157 1 12 . 1 1 57 57 THR HA H 57 3.833 3.833 4.030 -0.197 25706 5158 1 12 . 1 1 57 57 THR C C 57 175.836 175.836 177.012 -1.176 25706 5159 1 12 . 1 1 57 57 THR CA C 57 67.615 67.615 67.167 0.448 25706 5160 1 12 . 1 1 57 57 THR CB C 57 68.860 68.860 68.402 0.458 25706 5161 1 12 . 1 1 57 57 THR H H 57 8.260 8.260 8.363 -0.103 25706 5162 1 12 . 1 1 58 58 ARG N N 58 120.818 120.818 121.194 -0.376 25706 5163 1 12 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.039 0.209 25706 5164 1 12 . 1 1 58 58 ARG C C 58 179.476 179.476 178.432 1.044 25706 5165 1 12 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.611 -0.336 25706 5166 1 12 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.081 0.467 25706 5167 1 12 . 1 1 58 58 ARG H H 58 8.202 8.202 8.272 -0.070 25706 5168 1 12 . 1 1 59 59 PHE N N 59 119.668 119.668 121.275 -1.607 25706 5169 1 12 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.522 0.226 25706 5170 1 12 . 1 1 59 59 PHE C C 59 178.260 178.260 178.379 -0.119 25706 5171 1 12 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.379 -0.102 25706 5172 1 12 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.138 0.082 25706 5173 1 12 . 1 1 59 59 PHE H H 59 8.615 8.615 8.535 0.080 25706 5174 1 12 . 1 1 60 60 LYS N N 60 123.687 123.687 118.760 4.927 25706 5175 1 12 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.742 -0.255 25706 5176 1 12 . 1 1 60 60 LYS C C 60 177.801 177.801 177.783 0.018 25706 5177 1 12 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.836 0.989 25706 5178 1 12 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.246 0.170 25706 5179 1 12 . 1 1 60 60 LYS H H 60 8.800 8.800 8.297 0.503 25706 5180 1 12 . 1 1 61 61 ASP N N 61 116.083 116.083 116.845 -0.762 25706 5181 1 12 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.606 -0.013 25706 5182 1 12 . 1 1 61 61 ASP C C 61 177.052 177.052 176.646 0.406 25706 5183 1 12 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.558 0.361 25706 5184 1 12 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.126 -0.119 25706 5185 1 12 . 1 1 61 61 ASP H H 61 8.107 8.107 7.926 0.181 25706 5186 1 12 . 1 1 62 62 GLY N N 62 107.294 107.294 106.614 0.680 25706 5187 1 12 . 1 1 62 62 GLY C C 62 175.018 175.018 175.792 -0.774 25706 5188 1 12 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.199 0.186 25706 5189 1 12 . 1 1 62 62 GLY H H 62 7.625 7.625 7.615 0.010 25706 5190 1 12 . 1 1 63 63 GLY N N 63 109.718 109.718 108.049 1.669 25706 5191 1 12 . 1 1 63 63 GLY C C 63 173.393 173.393 174.203 -0.810 25706 5192 1 12 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.893 0.844 25706 5193 1 12 . 1 1 63 63 GLY H H 63 8.687 8.687 8.224 0.463 25706 5194 1 12 . 1 1 64 64 LEU N N 64 119.332 119.332 120.762 -1.430 25706 5195 1 12 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.713 0.005 25706 5196 1 12 . 1 1 64 64 LEU C C 64 175.357 175.357 175.451 -0.094 25706 5197 1 12 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.049 -0.112 25706 5198 1 12 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.256 1.821 25706 5199 1 12 . 1 1 64 64 LEU H H 64 7.034 7.034 7.282 -0.248 25706 5200 1 12 . 1 1 65 65 ASP N N 65 121.569 121.569 125.065 -3.496 25706 5201 1 12 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.868 -0.075 25706 5202 1 12 . 1 1 65 65 ASP C C 65 175.652 175.652 177.334 -1.682 25706 5203 1 12 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.559 -1.681 25706 5204 1 12 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.858 -1.040 25706 5205 1 12 . 1 1 65 65 ASP H H 65 8.287 8.287 8.677 -0.390 25706 5206 1 12 . 1 1 66 66 ARG N N 66 120.199 120.199 123.119 -2.920 25706 5207 1 12 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.752 0.003 25706 5208 1 12 . 1 1 66 66 ARG C C 66 177.271 177.271 177.941 -0.670 25706 5209 1 12 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.951 0.613 25706 5210 1 12 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.263 0.586 25706 5211 1 12 . 1 1 66 66 ARG H H 66 8.860 8.860 8.961 -0.101 25706 5212 1 12 . 1 1 67 67 ALA N N 67 120.212 120.212 120.732 -0.520 25706 5213 1 12 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.363 -0.279 25706 5214 1 12 . 1 1 67 67 ALA C C 67 181.015 181.015 179.669 1.346 25706 5215 1 12 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.976 0.200 25706 5216 1 12 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.185 -0.344 25706 5217 1 12 . 1 1 67 67 ALA H H 67 8.339 8.339 8.436 -0.097 25706 5218 1 12 . 1 1 68 68 ALA N N 68 122.433 122.433 121.199 1.234 25706 5219 1 12 . 1 1 68 68 ALA HA H 68 4.155 4.155 3.969 0.186 25706 5220 1 12 . 1 1 68 68 ALA C C 68 180.071 180.071 179.132 0.939 25706 5221 1 12 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.654 0.296 25706 5222 1 12 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.297 0.950 25706 5223 1 12 . 1 1 68 68 ALA H H 68 8.184 8.184 7.621 0.563 25706 5224 1 12 . 1 1 69 69 ALA N N 69 119.845 119.845 121.423 -1.578 25706 5225 1 12 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.866 -0.034 25706 5226 1 12 . 1 1 69 69 ALA C C 69 178.826 178.826 179.704 -0.878 25706 5227 1 12 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.129 0.401 25706 5228 1 12 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.869 0.108 25706 5229 1 12 . 1 1 69 69 ALA H H 69 8.511 8.511 8.428 0.083 25706 5230 1 12 . 1 1 70 70 GLN N N 70 116.137 116.137 118.255 -2.118 25706 5231 1 12 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.810 -0.210 25706 5232 1 12 . 1 1 70 70 GLN C C 70 177.832 177.832 178.478 -0.646 25706 5233 1 12 . 1 1 70 70 GLN CA C 70 60.050 60.050 59.007 1.043 25706 5234 1 12 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.545 -0.370 25706 5235 1 12 . 1 1 70 70 GLN H H 70 8.528 8.528 8.270 0.258 25706 5236 1 12 . 1 1 71 71 ALA N N 71 120.118 120.118 122.941 -2.823 25706 5237 1 12 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.996 0.067 25706 5238 1 12 . 1 1 71 71 ALA C C 71 180.495 180.495 179.504 0.991 25706 5239 1 12 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.215 -0.037 25706 5240 1 12 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.548 -0.652 25706 5241 1 12 . 1 1 71 71 ALA H H 71 7.625 7.625 7.782 -0.157 25706 5242 1 12 . 1 1 72 72 LEU N N 72 117.959 117.959 119.074 -1.115 25706 5243 1 12 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.152 0.021 25706 5244 1 12 . 1 1 72 72 LEU C C 72 180.674 180.674 179.531 1.143 25706 5245 1 12 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.411 0.143 25706 5246 1 12 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.471 1.296 25706 5247 1 12 . 1 1 72 72 LEU H H 72 8.068 8.068 8.131 -0.063 25706 5248 1 12 . 1 1 73 73 LEU N N 73 119.237 119.237 119.334 -0.097 25706 5249 1 12 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.024 0.090 25706 5250 1 12 . 1 1 73 73 LEU C C 73 177.691 177.691 178.460 -0.769 25706 5251 1 12 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.301 -0.577 25706 5252 1 12 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.746 0.843 25706 5253 1 12 . 1 1 73 73 LEU H H 73 8.251 8.251 8.237 0.014 25706 5254 1 12 . 1 1 74 74 ALA N N 74 120.421 120.421 118.939 1.482 25706 5255 1 12 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.257 0.031 25706 5256 1 12 . 1 1 74 74 ALA C C 74 178.222 178.222 177.841 0.381 25706 5257 1 12 . 1 1 74 74 ALA CA C 74 52.861 52.861 51.897 0.964 25706 5258 1 12 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.190 0.008 25706 5259 1 12 . 1 1 74 74 ALA H H 74 7.765 7.765 8.032 -0.267 25706 5260 1 12 . 1 1 75 75 GLY N N 75 106.485 106.485 106.665 -0.180 25706 5261 1 12 . 1 1 75 75 GLY C C 75 174.299 174.299 174.051 0.248 25706 5262 1 12 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.272 0.515 25706 5263 1 12 . 1 1 75 75 GLY H H 75 7.895 7.895 7.572 0.323 25706 5264 1 12 . 1 1 76 76 ARG N N 76 119.703 119.703 118.522 1.181 25706 5265 1 12 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.734 -0.232 25706 5266 1 12 . 1 1 76 76 ARG C C 76 175.750 175.750 174.888 0.862 25706 5267 1 12 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.935 1.472 25706 5268 1 12 . 1 1 76 76 ARG CB C 76 31.303 31.303 33.291 -1.988 25706 5269 1 12 . 1 1 76 76 ARG H H 76 8.110 8.110 8.114 -0.004 25706 5270 1 12 . 1 1 77 77 THR N N 77 116.771 116.771 114.326 2.445 25706 5271 1 12 . 1 1 77 77 THR HA H 77 4.582 4.582 4.476 0.106 25706 5272 1 12 . 1 1 77 77 THR CA C 77 59.920 59.920 59.995 -0.075 25706 5273 1 12 . 1 1 77 77 THR CB C 77 69.810 69.810 69.010 0.800 25706 5274 1 12 . 1 1 77 77 THR H H 77 8.181 8.181 8.322 -0.141 25706 5275 1 12 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.414 -0.046 25706 5276 1 12 . 1 1 78 78 PRO C C 78 176.366 176.366 176.714 -0.348 25706 5277 1 12 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.950 0.204 25706 5278 1 12 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.121 -0.013 25706 5279 1 12 . 1 1 79 79 ALA N N 79 124.715 124.715 126.476 -1.761 25706 5280 1 12 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.280 -0.034 25706 5281 1 12 . 1 1 79 79 ALA C C 79 177.314 177.314 177.096 0.218 25706 5282 1 12 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.735 0.663 25706 5283 1 12 . 1 1 79 79 ALA CB C 79 19.306 19.306 19.195 0.111 25706 5284 1 12 . 1 1 79 79 ALA H H 79 8.417 8.417 8.094 0.323 25706 5285 1 12 . 1 1 80 80 ALA N N 80 123.467 123.467 122.663 0.804 25706 5286 1 12 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.457 -0.167 25706 5287 1 12 . 1 1 80 80 ALA C C 80 177.000 177.000 177.317 -0.317 25706 5288 1 12 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.660 0.350 25706 5289 1 12 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.700 -0.253 25706 5290 1 12 . 1 1 80 80 ALA H H 80 8.232 8.232 8.251 -0.019 25706 5291 1 12 . 1 1 81 81 ALA N N 81 125.029 125.029 124.100 0.929 25706 5292 1 12 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.499 0.063 25706 5293 1 12 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.550 -0.119 25706 5294 1 12 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.065 0.415 25706 5295 1 12 . 1 1 81 81 ALA H H 81 8.250 8.250 8.217 0.033 25706 5296 1 12 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.491 -0.079 25706 5297 1 12 . 1 1 82 82 PRO C C 82 176.531 176.531 176.025 0.506 25706 5298 1 12 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.168 -0.170 25706 5299 1 12 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.931 0.152 25706 5300 1 12 . 1 1 83 83 ARG N N 83 122.956 122.956 120.344 2.612 25706 5301 1 12 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.736 -0.125 25706 5302 1 12 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.972 -0.194 25706 5303 1 12 . 1 1 83 83 ARG CB C 83 30.242 30.242 32.135 -1.893 25706 5304 1 12 . 1 1 83 83 ARG H H 83 8.384 8.384 7.892 0.492 25706 5305 1 13 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.540 -0.068 25706 5306 1 13 . 1 1 2 2 PRO C C 2 177.459 177.459 177.579 -0.120 25706 5307 1 13 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.532 1.042 25706 5308 1 13 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.617 -0.471 25706 5309 1 13 . 1 1 3 3 GLY N N 3 109.882 109.882 107.607 2.275 25706 5310 1 13 . 1 1 3 3 GLY C C 3 174.103 174.103 174.457 -0.354 25706 5311 1 13 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.199 1.073 25706 5312 1 13 . 1 1 3 3 GLY H H 3 8.645 8.645 8.249 0.396 25706 5313 1 13 . 1 1 4 4 SER N N 4 115.534 115.534 113.702 1.832 25706 5314 1 13 . 1 1 4 4 SER HA H 4 4.438 4.438 3.952 0.486 25706 5315 1 13 . 1 1 4 4 SER C C 4 174.137 174.137 173.911 0.226 25706 5316 1 13 . 1 1 4 4 SER CA C 4 58.319 58.319 58.352 -0.033 25706 5317 1 13 . 1 1 4 4 SER CB C 4 63.864 63.864 62.562 1.302 25706 5318 1 13 . 1 1 4 4 SER H H 4 8.127 8.127 8.555 -0.428 25706 5319 1 13 . 1 1 5 5 TYR N N 5 122.533 122.533 120.723 1.810 25706 5320 1 13 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.472 0.198 25706 5321 1 13 . 1 1 5 5 TYR C C 5 176.109 176.109 176.094 0.015 25706 5322 1 13 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.797 -0.681 25706 5323 1 13 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.543 -0.688 25706 5324 1 13 . 1 1 5 5 TYR H H 5 8.349 8.349 7.903 0.446 25706 5325 1 13 . 1 1 6 6 THR N N 6 116.290 116.290 120.296 -4.006 25706 5326 1 13 . 1 1 6 6 THR HA H 6 4.305 4.305 4.002 0.303 25706 5327 1 13 . 1 1 6 6 THR C C 6 174.899 174.899 175.584 -0.685 25706 5328 1 13 . 1 1 6 6 THR CA C 6 61.743 61.743 63.755 -2.012 25706 5329 1 13 . 1 1 6 6 THR CB C 6 69.859 69.859 68.834 1.026 25706 5330 1 13 . 1 1 6 6 THR H H 6 8.177 8.177 7.704 0.473 25706 5331 1 13 . 1 1 7 7 GLY N N 7 110.576 110.576 115.160 -4.584 25706 5332 1 13 . 1 1 7 7 GLY C C 7 173.596 173.596 173.878 -0.282 25706 5333 1 13 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.350 -0.003 25706 5334 1 13 . 1 1 7 7 GLY H H 7 7.646 7.646 8.753 -1.107 25706 5335 1 13 . 1 1 8 8 ALA N N 8 123.499 123.499 123.056 0.443 25706 5336 1 13 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.630 -0.276 25706 5337 1 13 . 1 1 8 8 ALA C C 8 178.119 178.119 178.293 -0.174 25706 5338 1 13 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.147 0.400 25706 5339 1 13 . 1 1 8 8 ALA CB C 8 19.387 19.387 20.625 -1.238 25706 5340 1 13 . 1 1 8 8 ALA H H 8 8.171 8.171 7.625 0.546 25706 5341 1 13 . 1 1 9 9 GLY N N 9 108.467 108.467 108.933 -0.466 25706 5342 1 13 . 1 1 9 9 GLY C C 9 173.664 173.664 174.411 -0.747 25706 5343 1 13 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.736 0.393 25706 5344 1 13 . 1 1 9 9 GLY H H 9 8.398 8.398 7.878 0.520 25706 5345 1 13 . 1 1 10 10 GLU N N 10 121.535 121.535 122.141 -0.606 25706 5346 1 13 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.451 0.147 25706 5347 1 13 . 1 1 10 10 GLU CA C 10 54.252 54.252 55.188 -0.936 25706 5348 1 13 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.835 0.124 25706 5349 1 13 . 1 1 10 10 GLU H H 10 8.230 8.230 8.444 -0.214 25706 5350 1 13 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.476 -0.022 25706 5351 1 13 . 1 1 11 11 PRO C C 11 176.799 176.799 176.087 0.712 25706 5352 1 13 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.044 0.258 25706 5353 1 13 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.184 -0.160 25706 5354 1 13 . 1 1 12 12 SER N N 12 117.122 117.122 116.305 0.817 25706 5355 1 13 . 1 1 12 12 SER HA H 12 4.469 4.469 4.682 -0.213 25706 5356 1 13 . 1 1 12 12 SER C C 12 174.904 174.904 175.325 -0.421 25706 5357 1 13 . 1 1 12 12 SER CA C 12 57.876 57.876 56.339 1.538 25706 5358 1 13 . 1 1 12 12 SER CB C 12 64.624 64.624 65.286 -0.662 25706 5359 1 13 . 1 1 12 12 SER H H 12 8.721 8.721 8.198 0.523 25706 5360 1 13 . 1 1 13 13 GLN N N 13 121.678 121.678 125.351 -3.673 25706 5361 1 13 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.067 0.053 25706 5362 1 13 . 1 1 13 13 GLN C C 13 178.113 178.113 177.056 1.057 25706 5363 1 13 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.501 -0.644 25706 5364 1 13 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.352 0.390 25706 5365 1 13 . 1 1 13 13 GLN H H 13 8.660 8.660 9.083 -0.423 25706 5366 1 13 . 1 1 14 14 ALA N N 14 122.557 122.557 122.228 0.329 25706 5367 1 13 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.100 0.108 25706 5368 1 13 . 1 1 14 14 ALA C C 14 179.168 179.168 178.929 0.239 25706 5369 1 13 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.740 -0.677 25706 5370 1 13 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.293 0.681 25706 5371 1 13 . 1 1 14 14 ALA H H 14 8.251 8.251 7.924 0.327 25706 5372 1 13 . 1 1 15 15 ASP N N 15 120.191 120.191 119.504 0.687 25706 5373 1 13 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.467 0.028 25706 5374 1 13 . 1 1 15 15 ASP C C 15 178.121 178.121 178.336 -0.215 25706 5375 1 13 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.633 -1.130 25706 5376 1 13 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.929 -0.345 25706 5377 1 13 . 1 1 15 15 ASP H H 15 8.049 8.049 7.528 0.521 25706 5378 1 13 . 1 1 16 16 LEU N N 16 122.661 122.661 119.992 2.669 25706 5379 1 13 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.931 0.072 25706 5380 1 13 . 1 1 16 16 LEU C C 16 178.320 178.320 178.433 -0.113 25706 5381 1 13 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.835 -0.100 25706 5382 1 13 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.878 0.039 25706 5383 1 13 . 1 1 16 16 LEU H H 16 8.258 8.258 7.957 0.301 25706 5384 1 13 . 1 1 17 17 ASP N N 17 119.364 119.364 119.461 -0.097 25706 5385 1 13 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.225 0.018 25706 5386 1 13 . 1 1 17 17 ASP C C 17 178.534 178.534 178.108 0.426 25706 5387 1 13 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.650 0.444 25706 5388 1 13 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.769 0.686 25706 5389 1 13 . 1 1 17 17 ASP H H 17 8.299 8.299 8.147 0.152 25706 5390 1 13 . 1 1 18 18 ALA N N 18 121.057 121.057 120.630 0.427 25706 5391 1 13 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.209 -0.084 25706 5392 1 13 . 1 1 18 18 ALA C C 18 180.942 180.942 179.443 1.499 25706 5393 1 13 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.546 0.401 25706 5394 1 13 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.756 -0.539 25706 5395 1 13 . 1 1 18 18 ALA H H 18 7.851 7.851 7.708 0.143 25706 5396 1 13 . 1 1 19 19 LEU N N 19 122.159 122.159 120.369 1.790 25706 5397 1 13 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.116 -0.141 25706 5398 1 13 . 1 1 19 19 LEU C C 19 178.447 178.447 178.398 0.049 25706 5399 1 13 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.609 1.205 25706 5400 1 13 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.255 0.118 25706 5401 1 13 . 1 1 19 19 LEU H H 19 7.941 7.941 7.329 0.612 25706 5402 1 13 . 1 1 20 20 LEU N N 20 119.065 119.065 118.363 0.702 25706 5403 1 13 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.991 -0.281 25706 5404 1 13 . 1 1 20 20 LEU C C 20 179.763 179.763 179.043 0.720 25706 5405 1 13 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.452 -0.055 25706 5406 1 13 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.491 -1.625 25706 5407 1 13 . 1 1 20 20 LEU H H 20 8.454 8.454 8.532 -0.078 25706 5408 1 13 . 1 1 21 21 SER N N 21 115.603 115.603 114.388 1.215 25706 5409 1 13 . 1 1 21 21 SER HA H 21 4.199 4.199 4.197 0.002 25706 5410 1 13 . 1 1 21 21 SER C C 21 175.002 175.002 176.184 -1.182 25706 5411 1 13 . 1 1 21 21 SER CA C 21 62.502 62.502 61.162 1.340 25706 5412 1 13 . 1 1 21 21 SER CB C 21 62.806 62.806 63.076 -0.270 25706 5413 1 13 . 1 1 21 21 SER H H 21 8.248 8.248 8.532 -0.284 25706 5414 1 13 . 1 1 22 22 ALA N N 22 123.437 123.437 124.012 -0.575 25706 5415 1 13 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.193 -0.127 25706 5416 1 13 . 1 1 22 22 ALA C C 22 180.273 180.273 178.883 1.390 25706 5417 1 13 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.481 1.006 25706 5418 1 13 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.625 -0.394 25706 5419 1 13 . 1 1 22 22 ALA H H 22 7.982 7.982 7.405 0.577 25706 5420 1 13 . 1 1 23 23 VAL N N 23 119.580 119.580 118.958 0.622 25706 5421 1 13 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.155 0.078 25706 5422 1 13 . 1 1 23 23 VAL C C 23 180.144 180.144 178.131 2.013 25706 5423 1 13 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.481 0.993 25706 5424 1 13 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.906 0.305 25706 5425 1 13 . 1 1 23 23 VAL H H 23 8.382 8.382 7.656 0.726 25706 5426 1 13 . 1 1 24 24 ARG N N 24 122.585 122.585 120.923 1.662 25706 5427 1 13 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.001 -0.080 25706 5428 1 13 . 1 1 24 24 ARG C C 24 177.169 177.169 176.527 0.642 25706 5429 1 13 . 1 1 24 24 ARG CA C 24 59.514 59.514 57.867 1.647 25706 5430 1 13 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.877 0.018 25706 5431 1 13 . 1 1 24 24 ARG H H 24 8.589 8.589 8.037 0.552 25706 5432 1 13 . 1 1 25 25 ASP N N 25 115.538 115.538 116.816 -1.278 25706 5433 1 13 . 1 1 25 25 ASP C C 25 175.579 175.579 175.217 0.362 25706 5434 1 13 . 1 1 25 25 ASP CA C 25 54.353 54.353 52.774 1.579 25706 5435 1 13 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.497 0.218 25706 5436 1 13 . 1 1 25 25 ASP H H 25 8.083 8.083 7.816 0.267 25706 5437 1 13 . 1 1 26 26 ASN N N 26 113.668 113.668 114.760 -1.092 25706 5438 1 13 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.312 0.180 25706 5439 1 13 . 1 1 26 26 ASN C C 26 174.953 174.953 175.482 -0.529 25706 5440 1 13 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.861 0.362 25706 5441 1 13 . 1 1 26 26 ASN CB C 26 37.451 37.451 36.751 0.700 25706 5442 1 13 . 1 1 26 26 ASN H H 26 7.860 7.860 7.878 -0.018 25706 5443 1 13 . 1 1 27 27 ARG N N 27 117.078 117.078 116.503 0.575 25706 5444 1 13 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.384 -0.081 25706 5445 1 13 . 1 1 27 27 ARG C C 27 176.011 176.011 175.891 0.120 25706 5446 1 13 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.540 1.042 25706 5447 1 13 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.937 0.437 25706 5448 1 13 . 1 1 27 27 ARG H H 27 8.700 8.700 8.420 0.280 25706 5449 1 13 . 1 1 28 28 LEU N N 28 119.538 119.538 120.681 -1.143 25706 5450 1 13 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.773 -0.147 25706 5451 1 13 . 1 1 28 28 LEU C C 28 175.563 175.563 175.669 -0.106 25706 5452 1 13 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.114 0.289 25706 5453 1 13 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.537 1.183 25706 5454 1 13 . 1 1 28 28 LEU H H 28 7.101 7.101 7.623 -0.522 25706 5455 1 13 . 1 1 29 29 SER N N 29 119.714 119.714 118.601 1.113 25706 5456 1 13 . 1 1 29 29 SER HA H 29 4.512 4.512 4.713 -0.201 25706 5457 1 13 . 1 1 29 29 SER C C 29 174.769 174.769 175.901 -1.132 25706 5458 1 13 . 1 1 29 29 SER CA C 29 56.883 56.883 57.365 -0.482 25706 5459 1 13 . 1 1 29 29 SER CB C 29 65.067 65.067 64.971 0.097 25706 5460 1 13 . 1 1 29 29 SER H H 29 8.885 8.885 8.461 0.424 25706 5461 1 13 . 1 1 30 30 ILE N N 30 121.990 121.990 124.520 -2.530 25706 5462 1 13 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.713 -0.149 25706 5463 1 13 . 1 1 30 30 ILE C C 30 177.419 177.419 177.905 -0.486 25706 5464 1 13 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.942 0.764 25706 5465 1 13 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.079 0.053 25706 5466 1 13 . 1 1 30 30 ILE H H 30 8.953 8.953 8.872 0.081 25706 5467 1 13 . 1 1 31 31 GLU N N 31 117.222 117.222 118.666 -1.444 25706 5468 1 13 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.107 -0.244 25706 5469 1 13 . 1 1 31 31 GLU C C 31 179.559 179.559 178.670 0.889 25706 5470 1 13 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.089 1.425 25706 5471 1 13 . 1 1 31 31 GLU CB C 31 29.046 29.046 28.653 0.393 25706 5472 1 13 . 1 1 31 31 GLU H H 31 8.669 8.669 8.776 -0.107 25706 5473 1 13 . 1 1 32 32 GLN N N 32 118.595 118.595 119.421 -0.826 25706 5474 1 13 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.163 -0.118 25706 5475 1 13 . 1 1 32 32 GLN C C 32 179.113 179.113 178.288 0.825 25706 5476 1 13 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.452 0.049 25706 5477 1 13 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.486 0.800 25706 5478 1 13 . 1 1 32 32 GLN H H 32 7.949 7.949 8.224 -0.275 25706 5479 1 13 . 1 1 33 33 ALA N N 33 123.062 123.062 122.497 0.565 25706 5480 1 13 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.138 -0.225 25706 5481 1 13 . 1 1 33 33 ALA C C 33 178.918 178.918 179.937 -1.019 25706 5482 1 13 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.106 0.432 25706 5483 1 13 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.326 0.820 25706 5484 1 13 . 1 1 33 33 ALA H H 33 8.520 8.520 8.461 0.059 25706 5485 1 13 . 1 1 34 34 VAL N N 34 115.551 115.551 117.750 -2.199 25706 5486 1 13 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.804 -0.421 25706 5487 1 13 . 1 1 34 34 VAL C C 34 179.013 179.013 178.108 0.905 25706 5488 1 13 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.285 0.746 25706 5489 1 13 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.120 0.455 25706 5490 1 13 . 1 1 34 34 VAL H H 34 8.469 8.469 7.671 0.798 25706 5491 1 13 . 1 1 35 35 THR N N 35 114.806 114.806 115.931 -1.125 25706 5492 1 13 . 1 1 35 35 THR HA H 35 4.012 4.012 4.115 -0.103 25706 5493 1 13 . 1 1 35 35 THR C C 35 176.151 176.151 176.009 0.142 25706 5494 1 13 . 1 1 35 35 THR CA C 35 65.944 65.944 65.885 0.059 25706 5495 1 13 . 1 1 35 35 THR CB C 35 68.902 68.902 68.900 0.002 25706 5496 1 13 . 1 1 35 35 THR H H 35 7.598 7.598 8.065 -0.467 25706 5497 1 13 . 1 1 36 36 LEU N N 36 120.922 120.922 118.918 2.004 25706 5498 1 13 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.263 -0.080 25706 5499 1 13 . 1 1 36 36 LEU C C 36 177.940 177.940 178.526 -0.586 25706 5500 1 13 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.504 0.106 25706 5501 1 13 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.127 0.150 25706 5502 1 13 . 1 1 36 36 LEU H H 36 7.516 7.516 7.931 -0.415 25706 5503 1 13 . 1 1 37 37 LEU N N 37 118.066 118.066 119.455 -1.389 25706 5504 1 13 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.300 0.037 25706 5505 1 13 . 1 1 37 37 LEU C C 37 177.013 177.013 177.330 -0.317 25706 5506 1 13 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.390 -1.513 25706 5507 1 13 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.001 0.020 25706 5508 1 13 . 1 1 37 37 LEU H H 37 7.444 7.444 7.346 0.098 25706 5509 1 13 . 1 1 38 38 THR N N 38 116.689 116.689 117.664 -0.975 25706 5510 1 13 . 1 1 38 38 THR HA H 38 4.469 4.469 4.479 -0.010 25706 5511 1 13 . 1 1 38 38 THR CA C 38 61.736 61.736 61.754 -0.018 25706 5512 1 13 . 1 1 38 38 THR CB C 38 69.544 69.544 68.871 0.673 25706 5513 1 13 . 1 1 38 38 THR H H 38 7.925 7.925 7.905 0.020 25706 5514 1 13 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.557 -0.084 25706 5515 1 13 . 1 1 39 39 PRO C C 39 177.055 177.055 178.149 -1.094 25706 5516 1 13 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.477 1.028 25706 5517 1 13 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.428 -0.288 25706 5518 1 13 . 1 1 40 40 ARG N N 40 120.701 120.701 121.941 -1.240 25706 5519 1 13 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.334 -0.027 25706 5520 1 13 . 1 1 40 40 ARG C C 40 176.527 176.527 177.369 -0.842 25706 5521 1 13 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.883 -1.576 25706 5522 1 13 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.231 0.566 25706 5523 1 13 . 1 1 40 40 ARG H H 40 8.384 8.384 8.680 -0.296 25706 5524 1 13 . 1 1 41 41 ARG N N 41 121.467 121.467 118.283 3.184 25706 5525 1 13 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.405 -0.024 25706 5526 1 13 . 1 1 41 41 ARG C C 41 176.791 176.791 176.599 0.192 25706 5527 1 13 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.570 0.657 25706 5528 1 13 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.502 0.367 25706 5529 1 13 . 1 1 41 41 ARG H H 41 8.367 8.367 8.124 0.243 25706 5530 1 13 . 1 1 42 42 GLY N N 42 110.418 110.418 108.419 1.999 25706 5531 1 13 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.767 0.580 25706 5532 1 13 . 1 1 42 42 GLY H H 42 8.538 8.538 7.618 0.920 25706 5533 1 13 . 1 1 44 44 GLY C C 44 174.487 174.487 174.971 -0.484 25706 5534 1 13 . 1 1 45 45 SER N N 45 115.788 115.788 119.985 -4.197 25706 5535 1 13 . 1 1 45 45 SER HA H 45 4.515 4.515 4.426 0.089 25706 5536 1 13 . 1 1 45 45 SER C C 45 175.337 175.337 175.542 -0.205 25706 5537 1 13 . 1 1 45 45 SER CA C 45 58.590 58.590 58.196 0.394 25706 5538 1 13 . 1 1 45 45 SER CB C 45 63.920 63.920 63.353 0.567 25706 5539 1 13 . 1 1 45 45 SER H H 45 8.422 8.422 8.435 -0.013 25706 5540 1 13 . 1 1 46 46 GLY N N 46 111.003 111.003 109.060 1.943 25706 5541 1 13 . 1 1 46 46 GLY C C 46 174.837 174.837 174.482 0.355 25706 5542 1 13 . 1 1 46 46 GLY CA C 46 45.497 45.497 45.177 0.320 25706 5543 1 13 . 1 1 46 46 GLY H H 46 8.600 8.600 7.744 0.856 25706 5544 1 13 . 1 1 47 47 GLY N N 47 108.933 108.933 107.035 1.898 25706 5545 1 13 . 1 1 47 47 GLY C C 47 174.864 174.864 175.237 -0.373 25706 5546 1 13 . 1 1 47 47 GLY H H 47 8.398 8.398 8.121 0.277 25706 5547 1 13 . 1 1 48 48 GLY N N 48 108.905 108.905 108.867 0.038 25706 5548 1 13 . 1 1 48 48 GLY C C 48 174.496 174.496 174.037 0.459 25706 5549 1 13 . 1 1 48 48 GLY H H 48 8.418 8.418 7.927 0.491 25706 5550 1 13 . 1 1 49 49 SER N N 49 115.575 115.575 118.159 -2.584 25706 5551 1 13 . 1 1 49 49 SER HA H 49 4.439 4.439 4.406 0.033 25706 5552 1 13 . 1 1 49 49 SER C C 49 174.539 174.539 175.101 -0.562 25706 5553 1 13 . 1 1 49 49 SER CA C 49 58.826 58.826 58.111 0.715 25706 5554 1 13 . 1 1 49 49 SER CB C 49 64.100 64.100 63.522 0.578 25706 5555 1 13 . 1 1 49 49 SER H H 49 8.292 8.292 8.299 -0.007 25706 5556 1 13 . 1 1 50 50 MET N N 50 121.907 121.907 124.185 -2.278 25706 5557 1 13 . 1 1 50 50 MET HA H 50 4.445 4.445 4.450 -0.005 25706 5558 1 13 . 1 1 50 50 MET C C 50 175.456 175.456 174.228 1.228 25706 5559 1 13 . 1 1 50 50 MET CA C 50 55.951 55.951 54.849 1.102 25706 5560 1 13 . 1 1 50 50 MET CB C 50 33.967 33.967 31.907 2.060 25706 5561 1 13 . 1 1 50 50 MET H H 50 8.310 8.310 7.433 0.877 25706 5562 1 13 . 1 1 51 51 ASP N N 51 122.904 122.904 122.986 -0.082 25706 5563 1 13 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.711 -0.070 25706 5564 1 13 . 1 1 51 51 ASP C C 51 176.239 176.239 177.171 -0.932 25706 5565 1 13 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.480 -0.969 25706 5566 1 13 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.584 -1.071 25706 5567 1 13 . 1 1 51 51 ASP H H 51 8.506 8.506 7.682 0.824 25706 5568 1 13 . 1 1 52 52 ALA N N 52 123.354 123.354 127.208 -3.854 25706 5569 1 13 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.960 -0.114 25706 5570 1 13 . 1 1 52 52 ALA C C 52 178.517 178.517 179.161 -0.644 25706 5571 1 13 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.364 0.234 25706 5572 1 13 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.516 0.101 25706 5573 1 13 . 1 1 52 52 ALA H H 52 8.506 8.506 8.794 -0.288 25706 5574 1 13 . 1 1 53 53 LYS N N 53 117.034 117.034 118.924 -1.890 25706 5575 1 13 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.027 -0.429 25706 5576 1 13 . 1 1 53 53 LYS C C 53 179.171 179.171 178.804 0.367 25706 5577 1 13 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.623 0.779 25706 5578 1 13 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.753 0.305 25706 5579 1 13 . 1 1 53 53 LYS H H 53 8.407 8.407 8.406 0.001 25706 5580 1 13 . 1 1 54 54 GLU N N 54 123.212 123.212 119.470 3.742 25706 5581 1 13 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.133 -0.060 25706 5582 1 13 . 1 1 54 54 GLU C C 54 178.526 178.526 179.042 -0.516 25706 5583 1 13 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.101 0.643 25706 5584 1 13 . 1 1 54 54 GLU CB C 54 29.338 29.338 28.966 0.372 25706 5585 1 13 . 1 1 54 54 GLU H H 54 8.005 8.005 8.029 -0.024 25706 5586 1 13 . 1 1 55 55 ILE N N 55 119.567 119.567 120.734 -1.167 25706 5587 1 13 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.736 -0.307 25706 5588 1 13 . 1 1 55 55 ILE C C 55 177.999 177.999 178.231 -0.232 25706 5589 1 13 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.605 0.007 25706 5590 1 13 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.884 0.827 25706 5591 1 13 . 1 1 55 55 ILE H H 55 8.088 8.088 7.805 0.283 25706 5592 1 13 . 1 1 56 56 LEU N N 56 116.646 116.646 120.264 -3.618 25706 5593 1 13 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.203 -0.199 25706 5594 1 13 . 1 1 56 56 LEU C C 56 178.636 178.636 179.640 -1.004 25706 5595 1 13 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.168 -0.104 25706 5596 1 13 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.344 2.600 25706 5597 1 13 . 1 1 56 56 LEU H H 56 8.477 8.477 8.592 -0.115 25706 5598 1 13 . 1 1 57 57 THR N N 57 117.148 117.148 115.976 1.172 25706 5599 1 13 . 1 1 57 57 THR HA H 57 3.833 3.833 3.969 -0.136 25706 5600 1 13 . 1 1 57 57 THR C C 57 175.836 175.836 177.163 -1.327 25706 5601 1 13 . 1 1 57 57 THR CA C 57 67.615 67.615 67.133 0.482 25706 5602 1 13 . 1 1 57 57 THR CB C 57 68.860 68.860 68.481 0.379 25706 5603 1 13 . 1 1 57 57 THR H H 57 8.260 8.260 8.502 -0.242 25706 5604 1 13 . 1 1 58 58 ARG N N 58 120.818 120.818 121.167 -0.349 25706 5605 1 13 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.071 0.177 25706 5606 1 13 . 1 1 58 58 ARG C C 58 179.476 179.476 178.473 1.003 25706 5607 1 13 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.490 -0.215 25706 5608 1 13 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.134 0.413 25706 5609 1 13 . 1 1 58 58 ARG H H 58 8.202 8.202 8.146 0.056 25706 5610 1 13 . 1 1 59 59 PHE N N 59 119.668 119.668 121.754 -2.086 25706 5611 1 13 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.547 0.201 25706 5612 1 13 . 1 1 59 59 PHE C C 59 178.260 178.260 177.241 1.019 25706 5613 1 13 . 1 1 59 59 PHE CA C 59 60.277 60.277 59.860 0.417 25706 5614 1 13 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.136 0.084 25706 5615 1 13 . 1 1 59 59 PHE H H 59 8.615 8.615 8.535 0.080 25706 5616 1 13 . 1 1 60 60 LYS N N 60 123.687 123.687 118.277 5.410 25706 5617 1 13 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.602 -0.115 25706 5618 1 13 . 1 1 60 60 LYS C C 60 177.801 177.801 178.197 -0.396 25706 5619 1 13 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.584 1.241 25706 5620 1 13 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.269 0.147 25706 5621 1 13 . 1 1 60 60 LYS H H 60 8.800 8.800 8.190 0.610 25706 5622 1 13 . 1 1 61 61 ASP N N 61 116.083 116.083 116.602 -0.519 25706 5623 1 13 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.504 0.089 25706 5624 1 13 . 1 1 61 61 ASP C C 61 177.052 177.052 176.673 0.379 25706 5625 1 13 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.363 0.556 25706 5626 1 13 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.188 -0.182 25706 5627 1 13 . 1 1 61 61 ASP H H 61 8.107 8.107 7.842 0.265 25706 5628 1 13 . 1 1 62 62 GLY N N 62 107.294 107.294 105.973 1.321 25706 5629 1 13 . 1 1 62 62 GLY C C 62 175.018 175.018 175.713 -0.695 25706 5630 1 13 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.111 0.274 25706 5631 1 13 . 1 1 62 62 GLY H H 62 7.625 7.625 7.478 0.147 25706 5632 1 13 . 1 1 63 63 GLY N N 63 109.718 109.718 108.722 0.996 25706 5633 1 13 . 1 1 63 63 GLY C C 63 173.393 173.393 174.190 -0.797 25706 5634 1 13 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.942 0.795 25706 5635 1 13 . 1 1 63 63 GLY H H 63 8.687 8.687 8.169 0.518 25706 5636 1 13 . 1 1 64 64 LEU N N 64 119.332 119.332 120.629 -1.297 25706 5637 1 13 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.756 -0.038 25706 5638 1 13 . 1 1 64 64 LEU C C 64 175.357 175.357 175.221 0.136 25706 5639 1 13 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.898 0.039 25706 5640 1 13 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.747 1.330 25706 5641 1 13 . 1 1 64 64 LEU H H 64 7.034 7.034 7.325 -0.291 25706 5642 1 13 . 1 1 65 65 ASP N N 65 121.569 121.569 125.382 -3.813 25706 5643 1 13 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.960 -0.167 25706 5644 1 13 . 1 1 65 65 ASP C C 65 175.652 175.652 177.520 -1.868 25706 5645 1 13 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.271 -1.394 25706 5646 1 13 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.388 -0.570 25706 5647 1 13 . 1 1 65 65 ASP H H 65 8.287 8.287 8.610 -0.323 25706 5648 1 13 . 1 1 66 66 ARG N N 66 120.199 120.199 122.780 -2.581 25706 5649 1 13 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.521 0.234 25706 5650 1 13 . 1 1 66 66 ARG C C 66 177.271 177.271 177.909 -0.638 25706 5651 1 13 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.829 0.735 25706 5652 1 13 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.166 0.683 25706 5653 1 13 . 1 1 66 66 ARG H H 66 8.860 8.860 8.918 -0.058 25706 5654 1 13 . 1 1 67 67 ALA N N 67 120.212 120.212 121.430 -1.218 25706 5655 1 13 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.123 -0.039 25706 5656 1 13 . 1 1 67 67 ALA C C 67 181.015 181.015 179.440 1.575 25706 5657 1 13 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.762 0.414 25706 5658 1 13 . 1 1 67 67 ALA CB C 67 17.841 17.841 17.950 -0.109 25706 5659 1 13 . 1 1 67 67 ALA H H 67 8.339 8.339 8.488 -0.149 25706 5660 1 13 . 1 1 68 68 ALA N N 68 122.433 122.433 121.300 1.133 25706 5661 1 13 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.157 -0.002 25706 5662 1 13 . 1 1 68 68 ALA C C 68 180.071 180.071 179.487 0.584 25706 5663 1 13 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.541 0.409 25706 5664 1 13 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.202 1.045 25706 5665 1 13 . 1 1 68 68 ALA H H 68 8.184 8.184 8.221 -0.037 25706 5666 1 13 . 1 1 69 69 ALA N N 69 119.845 119.845 121.328 -1.483 25706 5667 1 13 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.871 -0.039 25706 5668 1 13 . 1 1 69 69 ALA C C 69 178.826 178.826 179.687 -0.861 25706 5669 1 13 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.088 0.442 25706 5670 1 13 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.821 0.156 25706 5671 1 13 . 1 1 69 69 ALA H H 69 8.511 8.511 8.426 0.085 25706 5672 1 13 . 1 1 70 70 GLN N N 70 116.137 116.137 118.311 -2.174 25706 5673 1 13 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.842 -0.242 25706 5674 1 13 . 1 1 70 70 GLN C C 70 177.832 177.832 178.436 -0.604 25706 5675 1 13 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.778 1.272 25706 5676 1 13 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.608 -0.433 25706 5677 1 13 . 1 1 70 70 GLN H H 70 8.528 8.528 8.143 0.385 25706 5678 1 13 . 1 1 71 71 ALA N N 71 120.118 120.118 123.271 -3.153 25706 5679 1 13 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.015 0.048 25706 5680 1 13 . 1 1 71 71 ALA C C 71 180.495 180.495 179.829 0.666 25706 5681 1 13 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.178 0.000 25706 5682 1 13 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.330 -0.434 25706 5683 1 13 . 1 1 71 71 ALA H H 71 7.625 7.625 7.825 -0.200 25706 5684 1 13 . 1 1 72 72 LEU N N 72 117.959 117.959 119.346 -1.387 25706 5685 1 13 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.334 -0.161 25706 5686 1 13 . 1 1 72 72 LEU C C 72 180.674 180.674 180.135 0.539 25706 5687 1 13 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.479 0.075 25706 5688 1 13 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.457 1.310 25706 5689 1 13 . 1 1 72 72 LEU H H 72 8.068 8.068 8.096 -0.028 25706 5690 1 13 . 1 1 73 73 LEU N N 73 119.237 119.237 119.717 -0.480 25706 5691 1 13 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.067 0.047 25706 5692 1 13 . 1 1 73 73 LEU C C 73 177.691 177.691 178.828 -1.137 25706 5693 1 13 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.346 -0.622 25706 5694 1 13 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.768 0.821 25706 5695 1 13 . 1 1 73 73 LEU H H 73 8.251 8.251 8.341 -0.090 25706 5696 1 13 . 1 1 74 74 ALA N N 74 120.421 120.421 119.378 1.043 25706 5697 1 13 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.363 -0.075 25706 5698 1 13 . 1 1 74 74 ALA C C 74 178.222 178.222 177.730 0.492 25706 5699 1 13 . 1 1 74 74 ALA CA C 74 52.861 52.861 51.901 0.960 25706 5700 1 13 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.044 0.154 25706 5701 1 13 . 1 1 74 74 ALA H H 74 7.765 7.765 8.061 -0.296 25706 5702 1 13 . 1 1 75 75 GLY N N 75 106.485 106.485 106.302 0.183 25706 5703 1 13 . 1 1 75 75 GLY C C 75 174.299 174.299 174.117 0.182 25706 5704 1 13 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.257 0.530 25706 5705 1 13 . 1 1 75 75 GLY H H 75 7.895 7.895 7.523 0.372 25706 5706 1 13 . 1 1 76 76 ARG N N 76 119.703 119.703 118.182 1.521 25706 5707 1 13 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.927 -0.425 25706 5708 1 13 . 1 1 76 76 ARG C C 76 175.750 175.750 174.690 1.060 25706 5709 1 13 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.913 1.494 25706 5710 1 13 . 1 1 76 76 ARG CB C 76 31.303 31.303 33.401 -2.098 25706 5711 1 13 . 1 1 76 76 ARG H H 76 8.110 8.110 8.491 -0.381 25706 5712 1 13 . 1 1 77 77 THR N N 77 116.771 116.771 111.565 5.206 25706 5713 1 13 . 1 1 77 77 THR HA H 77 4.582 4.582 4.748 -0.166 25706 5714 1 13 . 1 1 77 77 THR CA C 77 59.920 59.920 58.290 1.630 25706 5715 1 13 . 1 1 77 77 THR CB C 77 69.810 69.810 70.304 -0.494 25706 5716 1 13 . 1 1 77 77 THR H H 77 8.181 8.181 8.123 0.058 25706 5717 1 13 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.549 -0.181 25706 5718 1 13 . 1 1 78 78 PRO C C 78 176.366 176.366 175.708 0.658 25706 5719 1 13 . 1 1 78 78 PRO CA C 78 63.154 63.154 63.058 0.096 25706 5720 1 13 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.457 -0.349 25706 5721 1 13 . 1 1 79 79 ALA N N 79 124.715 124.715 124.095 0.620 25706 5722 1 13 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.493 -0.247 25706 5723 1 13 . 1 1 79 79 ALA C C 79 177.314 177.314 177.454 -0.140 25706 5724 1 13 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.348 1.050 25706 5725 1 13 . 1 1 79 79 ALA CB C 79 19.306 19.306 20.572 -1.266 25706 5726 1 13 . 1 1 79 79 ALA H H 79 8.417 8.417 8.148 0.269 25706 5727 1 13 . 1 1 80 80 ALA N N 80 123.467 123.467 122.483 0.984 25706 5728 1 13 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.402 -0.112 25706 5729 1 13 . 1 1 80 80 ALA C C 80 177.000 177.000 177.677 -0.677 25706 5730 1 13 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.031 -0.021 25706 5731 1 13 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.052 0.395 25706 5732 1 13 . 1 1 80 80 ALA H H 80 8.232 8.232 8.446 -0.214 25706 5733 1 13 . 1 1 81 81 ALA N N 81 125.029 125.029 123.694 1.335 25706 5734 1 13 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.371 0.191 25706 5735 1 13 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.956 -0.525 25706 5736 1 13 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.951 0.529 25706 5737 1 13 . 1 1 81 81 ALA H H 81 8.250 8.250 7.602 0.648 25706 5738 1 13 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.549 -0.137 25706 5739 1 13 . 1 1 82 82 PRO C C 82 176.531 176.531 175.786 0.745 25706 5740 1 13 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.025 -0.027 25706 5741 1 13 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.927 0.156 25706 5742 1 13 . 1 1 83 83 ARG N N 83 122.956 122.956 119.868 3.088 25706 5743 1 13 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.780 -0.169 25706 5744 1 13 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.887 -0.109 25706 5745 1 13 . 1 1 83 83 ARG CB C 83 30.242 30.242 30.963 -0.721 25706 5746 1 13 . 1 1 83 83 ARG H H 83 8.384 8.384 7.993 0.391 25706 5747 1 14 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.508 -0.036 25706 5748 1 14 . 1 1 2 2 PRO C C 2 177.459 177.459 177.606 -0.147 25706 5749 1 14 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.705 0.869 25706 5750 1 14 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.335 -0.189 25706 5751 1 14 . 1 1 3 3 GLY N N 3 109.882 109.882 109.874 0.008 25706 5752 1 14 . 1 1 3 3 GLY C C 3 174.103 174.103 174.486 -0.383 25706 5753 1 14 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.788 0.485 25706 5754 1 14 . 1 1 3 3 GLY H H 3 8.645 8.645 8.477 0.168 25706 5755 1 14 . 1 1 4 4 SER N N 4 115.534 115.534 115.833 -0.299 25706 5756 1 14 . 1 1 4 4 SER HA H 4 4.438 4.438 4.640 -0.202 25706 5757 1 14 . 1 1 4 4 SER C C 4 174.137 174.137 173.822 0.315 25706 5758 1 14 . 1 1 4 4 SER CA C 4 58.319 58.319 57.636 0.683 25706 5759 1 14 . 1 1 4 4 SER CB C 4 63.864 63.864 64.242 -0.378 25706 5760 1 14 . 1 1 4 4 SER H H 4 8.127 8.127 8.340 -0.213 25706 5761 1 14 . 1 1 5 5 TYR N N 5 122.533 122.533 118.901 3.632 25706 5762 1 14 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.961 -0.291 25706 5763 1 14 . 1 1 5 5 TYR C C 5 176.109 176.109 174.200 1.909 25706 5764 1 14 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.203 0.912 25706 5765 1 14 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.462 -0.608 25706 5766 1 14 . 1 1 5 5 TYR H H 5 8.349 8.349 8.079 0.270 25706 5767 1 14 . 1 1 6 6 THR N N 6 116.290 116.290 114.110 2.180 25706 5768 1 14 . 1 1 6 6 THR HA H 6 4.305 4.305 4.459 -0.154 25706 5769 1 14 . 1 1 6 6 THR C C 6 174.899 174.899 174.728 0.171 25706 5770 1 14 . 1 1 6 6 THR CA C 6 61.743 61.743 60.881 0.862 25706 5771 1 14 . 1 1 6 6 THR CB C 6 69.859 69.859 70.252 -0.393 25706 5772 1 14 . 1 1 6 6 THR H H 6 8.177 8.177 8.453 -0.276 25706 5773 1 14 . 1 1 7 7 GLY N N 7 110.576 110.576 109.482 1.094 25706 5774 1 14 . 1 1 7 7 GLY C C 7 173.596 173.596 173.768 -0.172 25706 5775 1 14 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.045 0.302 25706 5776 1 14 . 1 1 7 7 GLY H H 7 7.646 7.646 8.559 -0.913 25706 5777 1 14 . 1 1 8 8 ALA N N 8 123.499 123.499 122.358 1.141 25706 5778 1 14 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.589 -0.234 25706 5779 1 14 . 1 1 8 8 ALA C C 8 178.119 178.119 178.409 -0.290 25706 5780 1 14 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.201 0.346 25706 5781 1 14 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.616 -0.229 25706 5782 1 14 . 1 1 8 8 ALA H H 8 8.171 8.171 7.617 0.554 25706 5783 1 14 . 1 1 9 9 GLY N N 9 108.467 108.467 107.851 0.616 25706 5784 1 14 . 1 1 9 9 GLY C C 9 173.664 173.664 174.396 -0.732 25706 5785 1 14 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.352 0.777 25706 5786 1 14 . 1 1 9 9 GLY H H 9 8.398 8.398 8.361 0.037 25706 5787 1 14 . 1 1 10 10 GLU N N 10 121.535 121.535 121.042 0.493 25706 5788 1 14 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.485 0.113 25706 5789 1 14 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.877 -0.625 25706 5790 1 14 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.584 0.375 25706 5791 1 14 . 1 1 10 10 GLU H H 10 8.230 8.230 8.355 -0.125 25706 5792 1 14 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.446 0.008 25706 5793 1 14 . 1 1 11 11 PRO C C 11 176.799 176.799 176.129 0.670 25706 5794 1 14 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.965 0.337 25706 5795 1 14 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.182 -0.158 25706 5796 1 14 . 1 1 12 12 SER N N 12 117.122 117.122 118.761 -1.639 25706 5797 1 14 . 1 1 12 12 SER HA H 12 4.469 4.469 4.473 -0.004 25706 5798 1 14 . 1 1 12 12 SER C C 12 174.904 174.904 176.128 -1.224 25706 5799 1 14 . 1 1 12 12 SER CA C 12 57.876 57.876 58.581 -0.706 25706 5800 1 14 . 1 1 12 12 SER CB C 12 64.624 64.624 63.947 0.677 25706 5801 1 14 . 1 1 12 12 SER H H 12 8.721 8.721 8.368 0.353 25706 5802 1 14 . 1 1 13 13 GLN N N 13 121.678 121.678 126.365 -4.687 25706 5803 1 14 . 1 1 13 13 GLN HA H 13 4.120 4.120 3.989 0.132 25706 5804 1 14 . 1 1 13 13 GLN C C 13 178.113 178.113 177.588 0.525 25706 5805 1 14 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.637 -0.780 25706 5806 1 14 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.104 0.638 25706 5807 1 14 . 1 1 13 13 GLN H H 13 8.660 8.660 9.063 -0.403 25706 5808 1 14 . 1 1 14 14 ALA N N 14 122.557 122.557 121.675 0.882 25706 5809 1 14 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.185 0.023 25706 5810 1 14 . 1 1 14 14 ALA C C 14 179.168 179.168 179.079 0.089 25706 5811 1 14 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.528 -0.465 25706 5812 1 14 . 1 1 14 14 ALA CB C 14 18.974 18.974 17.935 1.039 25706 5813 1 14 . 1 1 14 14 ALA H H 14 8.251 8.251 8.396 -0.145 25706 5814 1 14 . 1 1 15 15 ASP N N 15 120.191 120.191 119.822 0.369 25706 5815 1 14 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.466 0.029 25706 5816 1 14 . 1 1 15 15 ASP C C 15 178.121 178.121 178.308 -0.187 25706 5817 1 14 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.666 -1.163 25706 5818 1 14 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.940 -0.355 25706 5819 1 14 . 1 1 15 15 ASP H H 15 8.049 8.049 7.539 0.510 25706 5820 1 14 . 1 1 16 16 LEU N N 16 122.661 122.661 120.264 2.397 25706 5821 1 14 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.885 0.118 25706 5822 1 14 . 1 1 16 16 LEU C C 16 178.320 178.320 178.509 -0.189 25706 5823 1 14 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.994 -0.259 25706 5824 1 14 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.858 0.059 25706 5825 1 14 . 1 1 16 16 LEU H H 16 8.258 8.258 7.726 0.532 25706 5826 1 14 . 1 1 17 17 ASP N N 17 119.364 119.364 118.830 0.534 25706 5827 1 14 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.231 0.012 25706 5828 1 14 . 1 1 17 17 ASP C C 17 178.534 178.534 177.827 0.707 25706 5829 1 14 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.397 0.697 25706 5830 1 14 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.815 0.640 25706 5831 1 14 . 1 1 17 17 ASP H H 17 8.299 8.299 8.150 0.149 25706 5832 1 14 . 1 1 18 18 ALA N N 18 121.057 121.057 121.800 -0.743 25706 5833 1 14 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.155 -0.030 25706 5834 1 14 . 1 1 18 18 ALA C C 18 180.942 180.942 179.709 1.233 25706 5835 1 14 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.990 -0.043 25706 5836 1 14 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.493 -0.276 25706 5837 1 14 . 1 1 18 18 ALA H H 18 7.851 7.851 7.760 0.091 25706 5838 1 14 . 1 1 19 19 LEU N N 19 122.159 122.159 120.035 2.124 25706 5839 1 14 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.053 -0.078 25706 5840 1 14 . 1 1 19 19 LEU C C 19 178.447 178.447 178.654 -0.207 25706 5841 1 14 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.809 1.006 25706 5842 1 14 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.190 0.183 25706 5843 1 14 . 1 1 19 19 LEU H H 19 7.941 7.941 7.490 0.451 25706 5844 1 14 . 1 1 20 20 LEU N N 20 119.065 119.065 118.592 0.473 25706 5845 1 14 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.914 -0.204 25706 5846 1 14 . 1 1 20 20 LEU C C 20 179.763 179.763 179.153 0.610 25706 5847 1 14 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.368 0.029 25706 5848 1 14 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.372 -1.506 25706 5849 1 14 . 1 1 20 20 LEU H H 20 8.454 8.454 8.559 -0.105 25706 5850 1 14 . 1 1 21 21 SER N N 21 115.603 115.603 114.247 1.356 25706 5851 1 14 . 1 1 21 21 SER HA H 21 4.199 4.199 4.137 0.062 25706 5852 1 14 . 1 1 21 21 SER C C 21 175.002 175.002 176.055 -1.053 25706 5853 1 14 . 1 1 21 21 SER CA C 21 62.502 62.502 61.270 1.232 25706 5854 1 14 . 1 1 21 21 SER CB C 21 62.806 62.806 63.072 -0.266 25706 5855 1 14 . 1 1 21 21 SER H H 21 8.248 8.248 8.173 0.075 25706 5856 1 14 . 1 1 22 22 ALA N N 22 123.437 123.437 123.809 -0.372 25706 5857 1 14 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.158 -0.092 25706 5858 1 14 . 1 1 22 22 ALA C C 22 180.273 180.273 178.786 1.487 25706 5859 1 14 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.775 0.712 25706 5860 1 14 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.454 -0.223 25706 5861 1 14 . 1 1 22 22 ALA H H 22 7.982 7.982 7.395 0.587 25706 5862 1 14 . 1 1 23 23 VAL N N 23 119.580 119.580 119.377 0.203 25706 5863 1 14 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.227 0.006 25706 5864 1 14 . 1 1 23 23 VAL C C 23 180.144 180.144 178.165 1.979 25706 5865 1 14 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.375 1.099 25706 5866 1 14 . 1 1 23 23 VAL CB C 23 32.211 32.211 32.143 0.068 25706 5867 1 14 . 1 1 23 23 VAL H H 23 8.382 8.382 7.677 0.705 25706 5868 1 14 . 1 1 24 24 ARG N N 24 122.585 122.585 120.735 1.850 25706 5869 1 14 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.076 -0.155 25706 5870 1 14 . 1 1 24 24 ARG C C 24 177.169 177.169 177.470 -0.301 25706 5871 1 14 . 1 1 24 24 ARG CA C 24 59.514 59.514 57.980 1.534 25706 5872 1 14 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.020 -0.124 25706 5873 1 14 . 1 1 24 24 ARG H H 24 8.589 8.589 8.551 0.038 25706 5874 1 14 . 1 1 25 25 ASP N N 25 115.538 115.538 117.237 -1.699 25706 5875 1 14 . 1 1 25 25 ASP C C 25 175.579 175.579 175.525 0.054 25706 5876 1 14 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.190 1.163 25706 5877 1 14 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.654 0.062 25706 5878 1 14 . 1 1 25 25 ASP H H 25 8.083 8.083 7.708 0.375 25706 5879 1 14 . 1 1 26 26 ASN N N 26 113.668 113.668 115.178 -1.510 25706 5880 1 14 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.383 0.109 25706 5881 1 14 . 1 1 26 26 ASN C C 26 174.953 174.953 175.852 -0.899 25706 5882 1 14 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.419 0.804 25706 5883 1 14 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.632 -0.181 25706 5884 1 14 . 1 1 26 26 ASN H H 26 7.860 7.860 7.753 0.107 25706 5885 1 14 . 1 1 27 27 ARG N N 27 117.078 117.078 116.339 0.739 25706 5886 1 14 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.347 -0.044 25706 5887 1 14 . 1 1 27 27 ARG C C 27 176.011 176.011 176.075 -0.064 25706 5888 1 14 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.777 0.805 25706 5889 1 14 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.924 0.450 25706 5890 1 14 . 1 1 27 27 ARG H H 27 8.700 8.700 8.403 0.297 25706 5891 1 14 . 1 1 28 28 LEU N N 28 119.538 119.538 120.858 -1.320 25706 5892 1 14 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.846 -0.220 25706 5893 1 14 . 1 1 28 28 LEU C C 28 175.563 175.563 175.325 0.238 25706 5894 1 14 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.023 0.380 25706 5895 1 14 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.779 0.941 25706 5896 1 14 . 1 1 28 28 LEU H H 28 7.101 7.101 7.726 -0.625 25706 5897 1 14 . 1 1 29 29 SER N N 29 119.714 119.714 116.910 2.804 25706 5898 1 14 . 1 1 29 29 SER HA H 29 4.512 4.512 4.698 -0.186 25706 5899 1 14 . 1 1 29 29 SER C C 29 174.769 174.769 176.027 -1.258 25706 5900 1 14 . 1 1 29 29 SER CA C 29 56.883 56.883 56.542 0.341 25706 5901 1 14 . 1 1 29 29 SER CB C 29 65.067 65.067 65.633 -0.566 25706 5902 1 14 . 1 1 29 29 SER H H 29 8.885 8.885 8.372 0.513 25706 5903 1 14 . 1 1 30 30 ILE N N 30 121.990 121.990 122.151 -0.161 25706 5904 1 14 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.815 -0.251 25706 5905 1 14 . 1 1 30 30 ILE C C 30 177.419 177.419 178.045 -0.626 25706 5906 1 14 . 1 1 30 30 ILE CA C 30 65.706 65.706 63.743 1.963 25706 5907 1 14 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.184 -0.052 25706 5908 1 14 . 1 1 30 30 ILE H H 30 8.953 8.953 8.796 0.157 25706 5909 1 14 . 1 1 31 31 GLU N N 31 117.222 117.222 118.620 -1.398 25706 5910 1 14 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.074 -0.211 25706 5911 1 14 . 1 1 31 31 GLU C C 31 179.559 179.559 179.361 0.198 25706 5912 1 14 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.306 1.208 25706 5913 1 14 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.280 -0.234 25706 5914 1 14 . 1 1 31 31 GLU H H 31 8.669 8.669 8.081 0.589 25706 5915 1 14 . 1 1 32 32 GLN N N 32 118.595 118.595 118.950 -0.355 25706 5916 1 14 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.167 -0.122 25706 5917 1 14 . 1 1 32 32 GLN C C 32 179.113 179.113 178.413 0.700 25706 5918 1 14 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.274 0.227 25706 5919 1 14 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.454 0.832 25706 5920 1 14 . 1 1 32 32 GLN H H 32 7.949 7.949 8.315 -0.366 25706 5921 1 14 . 1 1 33 33 ALA N N 33 123.062 123.062 121.632 1.430 25706 5922 1 14 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.143 -0.230 25706 5923 1 14 . 1 1 33 33 ALA C C 33 178.918 178.918 178.953 -0.035 25706 5924 1 14 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.712 0.826 25706 5925 1 14 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.371 0.775 25706 5926 1 14 . 1 1 33 33 ALA H H 33 8.520 8.520 8.182 0.338 25706 5927 1 14 . 1 1 34 34 VAL N N 34 115.551 115.551 117.234 -1.683 25706 5928 1 14 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.783 -0.400 25706 5929 1 14 . 1 1 34 34 VAL C C 34 179.013 179.013 177.690 1.323 25706 5930 1 14 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.458 0.573 25706 5931 1 14 . 1 1 34 34 VAL CB C 34 31.575 31.575 32.047 -0.471 25706 5932 1 14 . 1 1 34 34 VAL H H 34 8.469 8.469 7.506 0.963 25706 5933 1 14 . 1 1 35 35 THR N N 35 114.806 114.806 116.536 -1.730 25706 5934 1 14 . 1 1 35 35 THR HA H 35 4.012 4.012 4.069 -0.057 25706 5935 1 14 . 1 1 35 35 THR C C 35 176.151 176.151 176.421 -0.270 25706 5936 1 14 . 1 1 35 35 THR CA C 35 65.944 65.944 66.691 -0.746 25706 5937 1 14 . 1 1 35 35 THR CB C 35 68.902 68.902 68.468 0.434 25706 5938 1 14 . 1 1 35 35 THR H H 35 7.598 7.598 8.054 -0.456 25706 5939 1 14 . 1 1 36 36 LEU N N 36 120.922 120.922 120.278 0.644 25706 5940 1 14 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.305 -0.122 25706 5941 1 14 . 1 1 36 36 LEU C C 36 177.940 177.940 177.561 0.379 25706 5942 1 14 . 1 1 36 36 LEU CA C 36 56.610 56.610 57.153 -0.543 25706 5943 1 14 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.841 0.436 25706 5944 1 14 . 1 1 36 36 LEU H H 36 7.516 7.516 8.236 -0.720 25706 5945 1 14 . 1 1 37 37 LEU N N 37 118.066 118.066 118.125 -0.059 25706 5946 1 14 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.540 -0.203 25706 5947 1 14 . 1 1 37 37 LEU C C 37 177.013 177.013 177.416 -0.403 25706 5948 1 14 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.206 -0.329 25706 5949 1 14 . 1 1 37 37 LEU CB C 37 43.021 43.021 44.655 -1.634 25706 5950 1 14 . 1 1 37 37 LEU H H 37 7.444 7.444 7.434 0.010 25706 5951 1 14 . 1 1 38 38 THR N N 38 116.689 116.689 119.199 -2.510 25706 5952 1 14 . 1 1 38 38 THR HA H 38 4.469 4.469 4.524 -0.055 25706 5953 1 14 . 1 1 38 38 THR CA C 38 61.736 61.736 61.535 0.201 25706 5954 1 14 . 1 1 38 38 THR CB C 38 69.544 69.544 68.924 0.620 25706 5955 1 14 . 1 1 38 38 THR H H 38 7.925 7.925 8.154 -0.229 25706 5956 1 14 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.574 -0.101 25706 5957 1 14 . 1 1 39 39 PRO C C 39 177.055 177.055 177.204 -0.149 25706 5958 1 14 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.681 0.824 25706 5959 1 14 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.816 -0.676 25706 5960 1 14 . 1 1 40 40 ARG N N 40 120.701 120.701 119.688 1.013 25706 5961 1 14 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.444 -0.137 25706 5962 1 14 . 1 1 40 40 ARG C C 40 176.527 176.527 176.305 0.222 25706 5963 1 14 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.106 0.201 25706 5964 1 14 . 1 1 40 40 ARG CB C 40 30.797 30.797 29.909 0.888 25706 5965 1 14 . 1 1 40 40 ARG H H 40 8.384 8.384 8.554 -0.170 25706 5966 1 14 . 1 1 41 41 ARG N N 41 121.467 121.467 120.030 1.437 25706 5967 1 14 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.539 -0.158 25706 5968 1 14 . 1 1 41 41 ARG C C 41 176.791 176.791 176.254 0.537 25706 5969 1 14 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.218 1.009 25706 5970 1 14 . 1 1 41 41 ARG CB C 41 30.869 30.869 31.814 -0.945 25706 5971 1 14 . 1 1 41 41 ARG H H 41 8.367 8.367 7.772 0.595 25706 5972 1 14 . 1 1 42 42 GLY N N 42 110.418 110.418 110.287 0.131 25706 5973 1 14 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.295 1.052 25706 5974 1 14 . 1 1 42 42 GLY H H 42 8.538 8.538 8.197 0.341 25706 5975 1 14 . 1 1 44 44 GLY C C 44 174.487 174.487 174.090 0.397 25706 5976 1 14 . 1 1 45 45 SER N N 45 115.788 115.788 113.389 2.399 25706 5977 1 14 . 1 1 45 45 SER HA H 45 4.515 4.515 4.628 -0.113 25706 5978 1 14 . 1 1 45 45 SER C C 45 175.337 175.337 173.265 2.072 25706 5979 1 14 . 1 1 45 45 SER CA C 45 58.590 58.590 56.898 1.692 25706 5980 1 14 . 1 1 45 45 SER CB C 45 63.920 63.920 66.166 -2.246 25706 5981 1 14 . 1 1 45 45 SER H H 45 8.422 8.422 7.268 1.154 25706 5982 1 14 . 1 1 46 46 GLY N N 46 111.003 111.003 108.236 2.767 25706 5983 1 14 . 1 1 46 46 GLY C C 46 174.837 174.837 173.615 1.222 25706 5984 1 14 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.269 1.228 25706 5985 1 14 . 1 1 46 46 GLY H H 46 8.600 8.600 8.931 -0.331 25706 5986 1 14 . 1 1 47 47 GLY N N 47 108.933 108.933 106.470 2.463 25706 5987 1 14 . 1 1 47 47 GLY C C 47 174.864 174.864 174.472 0.392 25706 5988 1 14 . 1 1 47 47 GLY H H 47 8.398 8.398 8.049 0.349 25706 5989 1 14 . 1 1 48 48 GLY N N 48 108.905 108.905 109.807 -0.902 25706 5990 1 14 . 1 1 48 48 GLY C C 48 174.496 174.496 173.776 0.720 25706 5991 1 14 . 1 1 48 48 GLY H H 48 8.418 8.418 8.440 -0.022 25706 5992 1 14 . 1 1 49 49 SER N N 49 115.575 115.575 114.620 0.955 25706 5993 1 14 . 1 1 49 49 SER HA H 49 4.439 4.439 4.685 -0.246 25706 5994 1 14 . 1 1 49 49 SER C C 49 174.539 174.539 174.064 0.475 25706 5995 1 14 . 1 1 49 49 SER CA C 49 58.826 58.826 56.863 1.963 25706 5996 1 14 . 1 1 49 49 SER CB C 49 64.100 64.100 64.323 -0.223 25706 5997 1 14 . 1 1 49 49 SER H H 49 8.292 8.292 7.690 0.602 25706 5998 1 14 . 1 1 50 50 MET N N 50 121.907 121.907 123.078 -1.171 25706 5999 1 14 . 1 1 50 50 MET HA H 50 4.445 4.445 4.498 -0.053 25706 6000 1 14 . 1 1 50 50 MET C C 50 175.456 175.456 175.564 -0.108 25706 6001 1 14 . 1 1 50 50 MET CA C 50 55.951 55.951 54.358 1.593 25706 6002 1 14 . 1 1 50 50 MET CB C 50 33.967 33.967 31.164 2.803 25706 6003 1 14 . 1 1 50 50 MET H H 50 8.310 8.310 8.576 -0.266 25706 6004 1 14 . 1 1 51 51 ASP N N 51 122.904 122.904 122.313 0.591 25706 6005 1 14 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.597 0.044 25706 6006 1 14 . 1 1 51 51 ASP C C 51 176.239 176.239 177.147 -0.908 25706 6007 1 14 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.130 -0.619 25706 6008 1 14 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.295 -0.782 25706 6009 1 14 . 1 1 51 51 ASP H H 51 8.506 8.506 7.886 0.620 25706 6010 1 14 . 1 1 52 52 ALA N N 52 123.354 123.354 123.807 -0.453 25706 6011 1 14 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.914 -0.068 25706 6012 1 14 . 1 1 52 52 ALA C C 52 178.517 178.517 179.133 -0.616 25706 6013 1 14 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.944 -0.346 25706 6014 1 14 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.565 0.052 25706 6015 1 14 . 1 1 52 52 ALA H H 52 8.506 8.506 8.873 -0.367 25706 6016 1 14 . 1 1 53 53 LYS N N 53 117.034 117.034 118.787 -1.753 25706 6017 1 14 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.027 -0.429 25706 6018 1 14 . 1 1 53 53 LYS C C 53 179.171 179.171 178.963 0.208 25706 6019 1 14 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.471 0.931 25706 6020 1 14 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.650 0.408 25706 6021 1 14 . 1 1 53 53 LYS H H 53 8.407 8.407 8.402 0.005 25706 6022 1 14 . 1 1 54 54 GLU N N 54 123.212 123.212 119.516 3.696 25706 6023 1 14 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.134 -0.061 25706 6024 1 14 . 1 1 54 54 GLU C C 54 178.526 178.526 179.093 -0.567 25706 6025 1 14 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.134 0.610 25706 6026 1 14 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.005 0.333 25706 6027 1 14 . 1 1 54 54 GLU H H 54 8.005 8.005 7.896 0.109 25706 6028 1 14 . 1 1 55 55 ILE N N 55 119.567 119.567 120.696 -1.129 25706 6029 1 14 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.730 -0.301 25706 6030 1 14 . 1 1 55 55 ILE C C 55 177.999 177.999 178.222 -0.223 25706 6031 1 14 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.643 -0.031 25706 6032 1 14 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.898 0.813 25706 6033 1 14 . 1 1 55 55 ILE H H 55 8.088 8.088 8.241 -0.153 25706 6034 1 14 . 1 1 56 56 LEU N N 56 116.646 116.646 120.015 -3.369 25706 6035 1 14 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.185 -0.181 25706 6036 1 14 . 1 1 56 56 LEU C C 56 178.636 178.636 179.514 -0.878 25706 6037 1 14 . 1 1 56 56 LEU CA C 56 58.064 58.064 57.969 0.095 25706 6038 1 14 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.458 2.486 25706 6039 1 14 . 1 1 56 56 LEU H H 56 8.477 8.477 8.519 -0.042 25706 6040 1 14 . 1 1 57 57 THR N N 57 117.148 117.148 116.200 0.948 25706 6041 1 14 . 1 1 57 57 THR HA H 57 3.833 3.833 3.921 -0.088 25706 6042 1 14 . 1 1 57 57 THR C C 57 175.836 175.836 176.898 -1.062 25706 6043 1 14 . 1 1 57 57 THR CA C 57 67.615 67.615 67.385 0.230 25706 6044 1 14 . 1 1 57 57 THR CB C 57 68.860 68.860 68.581 0.279 25706 6045 1 14 . 1 1 57 57 THR H H 57 8.260 8.260 8.550 -0.290 25706 6046 1 14 . 1 1 58 58 ARG N N 58 120.818 120.818 121.223 -0.405 25706 6047 1 14 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.054 0.194 25706 6048 1 14 . 1 1 58 58 ARG C C 58 179.476 179.476 178.280 1.196 25706 6049 1 14 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.553 -0.278 25706 6050 1 14 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.164 0.384 25706 6051 1 14 . 1 1 58 58 ARG H H 58 8.202 8.202 7.851 0.351 25706 6052 1 14 . 1 1 59 59 PHE N N 59 119.668 119.668 121.261 -1.593 25706 6053 1 14 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.552 0.196 25706 6054 1 14 . 1 1 59 59 PHE C C 59 178.260 178.260 178.405 -0.145 25706 6055 1 14 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.327 -0.050 25706 6056 1 14 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.167 0.053 25706 6057 1 14 . 1 1 59 59 PHE H H 59 8.615 8.615 8.613 0.002 25706 6058 1 14 . 1 1 60 60 LYS N N 60 123.687 123.687 119.214 4.473 25706 6059 1 14 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.725 -0.238 25706 6060 1 14 . 1 1 60 60 LYS C C 60 177.801 177.801 177.904 -0.103 25706 6061 1 14 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.896 0.929 25706 6062 1 14 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.273 0.143 25706 6063 1 14 . 1 1 60 60 LYS H H 60 8.800 8.800 8.454 0.346 25706 6064 1 14 . 1 1 61 61 ASP N N 61 116.083 116.083 116.539 -0.456 25706 6065 1 14 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.518 0.075 25706 6066 1 14 . 1 1 61 61 ASP C C 61 177.052 177.052 176.675 0.377 25706 6067 1 14 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.270 0.649 25706 6068 1 14 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.198 -0.192 25706 6069 1 14 . 1 1 61 61 ASP H H 61 8.107 8.107 7.812 0.295 25706 6070 1 14 . 1 1 62 62 GLY N N 62 107.294 107.294 106.019 1.275 25706 6071 1 14 . 1 1 62 62 GLY C C 62 175.018 175.018 175.720 -0.702 25706 6072 1 14 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.101 0.284 25706 6073 1 14 . 1 1 62 62 GLY H H 62 7.625 7.625 7.482 0.143 25706 6074 1 14 . 1 1 63 63 GLY N N 63 109.718 109.718 108.544 1.174 25706 6075 1 14 . 1 1 63 63 GLY C C 63 173.393 173.393 173.931 -0.538 25706 6076 1 14 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.865 0.872 25706 6077 1 14 . 1 1 63 63 GLY H H 63 8.687 8.687 8.206 0.481 25706 6078 1 14 . 1 1 64 64 LEU N N 64 119.332 119.332 120.138 -0.806 25706 6079 1 14 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.757 -0.039 25706 6080 1 14 . 1 1 64 64 LEU C C 64 175.357 175.357 175.208 0.149 25706 6081 1 14 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.888 0.049 25706 6082 1 14 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.825 1.252 25706 6083 1 14 . 1 1 64 64 LEU H H 64 7.034 7.034 7.323 -0.289 25706 6084 1 14 . 1 1 65 65 ASP N N 65 121.569 121.569 124.324 -2.755 25706 6085 1 14 . 1 1 65 65 ASP HA H 65 4.793 4.793 5.008 -0.215 25706 6086 1 14 . 1 1 65 65 ASP C C 65 175.652 175.652 177.326 -1.674 25706 6087 1 14 . 1 1 65 65 ASP CA C 65 52.877 52.877 53.990 -1.113 25706 6088 1 14 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.650 -0.832 25706 6089 1 14 . 1 1 65 65 ASP H H 65 8.287 8.287 8.655 -0.368 25706 6090 1 14 . 1 1 66 66 ARG N N 66 120.199 120.199 121.825 -1.626 25706 6091 1 14 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.987 -0.232 25706 6092 1 14 . 1 1 66 66 ARG C C 66 177.271 177.271 177.923 -0.652 25706 6093 1 14 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.452 1.112 25706 6094 1 14 . 1 1 66 66 ARG CB C 66 30.849 30.849 29.689 1.160 25706 6095 1 14 . 1 1 66 66 ARG H H 66 8.860 8.860 8.868 -0.008 25706 6096 1 14 . 1 1 67 67 ALA N N 67 120.212 120.212 120.815 -0.603 25706 6097 1 14 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.386 -0.302 25706 6098 1 14 . 1 1 67 67 ALA C C 67 181.015 181.015 180.028 0.987 25706 6099 1 14 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.748 0.428 25706 6100 1 14 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.180 -0.339 25706 6101 1 14 . 1 1 67 67 ALA H H 67 8.339 8.339 8.540 -0.201 25706 6102 1 14 . 1 1 68 68 ALA N N 68 122.433 122.433 121.644 0.789 25706 6103 1 14 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.140 0.015 25706 6104 1 14 . 1 1 68 68 ALA C C 68 180.071 180.071 179.471 0.600 25706 6105 1 14 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.633 0.318 25706 6106 1 14 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.241 1.006 25706 6107 1 14 . 1 1 68 68 ALA H H 68 8.184 8.184 8.227 -0.043 25706 6108 1 14 . 1 1 69 69 ALA N N 69 119.845 119.845 120.970 -1.125 25706 6109 1 14 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.838 -0.006 25706 6110 1 14 . 1 1 69 69 ALA C C 69 178.826 178.826 179.870 -1.044 25706 6111 1 14 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.041 0.488 25706 6112 1 14 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.800 0.177 25706 6113 1 14 . 1 1 69 69 ALA H H 69 8.511 8.511 8.498 0.013 25706 6114 1 14 . 1 1 70 70 GLN N N 70 116.137 116.137 117.876 -1.739 25706 6115 1 14 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.832 -0.232 25706 6116 1 14 . 1 1 70 70 GLN C C 70 177.832 177.832 178.325 -0.493 25706 6117 1 14 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.895 1.155 25706 6118 1 14 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.586 -0.411 25706 6119 1 14 . 1 1 70 70 GLN H H 70 8.528 8.528 8.109 0.419 25706 6120 1 14 . 1 1 71 71 ALA N N 71 120.118 120.118 123.306 -3.188 25706 6121 1 14 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.005 0.058 25706 6122 1 14 . 1 1 71 71 ALA C C 71 180.495 180.495 179.531 0.964 25706 6123 1 14 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.336 -0.158 25706 6124 1 14 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.408 -0.512 25706 6125 1 14 . 1 1 71 71 ALA H H 71 7.625 7.625 7.538 0.087 25706 6126 1 14 . 1 1 72 72 LEU N N 72 117.959 117.959 119.303 -1.344 25706 6127 1 14 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.275 -0.102 25706 6128 1 14 . 1 1 72 72 LEU C C 72 180.674 180.674 180.148 0.526 25706 6129 1 14 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.317 0.237 25706 6130 1 14 . 1 1 72 72 LEU CB C 72 42.767 42.767 40.637 2.130 25706 6131 1 14 . 1 1 72 72 LEU H H 72 8.068 8.068 8.414 -0.346 25706 6132 1 14 . 1 1 73 73 LEU N N 73 119.237 119.237 119.717 -0.480 25706 6133 1 14 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.048 0.066 25706 6134 1 14 . 1 1 73 73 LEU C C 73 177.691 177.691 178.737 -1.046 25706 6135 1 14 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.224 -0.500 25706 6136 1 14 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.702 0.887 25706 6137 1 14 . 1 1 73 73 LEU H H 73 8.251 8.251 7.886 0.365 25706 6138 1 14 . 1 1 74 74 ALA N N 74 120.421 120.421 118.441 1.980 25706 6139 1 14 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.341 -0.053 25706 6140 1 14 . 1 1 74 74 ALA C C 74 178.222 178.222 178.153 0.069 25706 6141 1 14 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.026 0.835 25706 6142 1 14 . 1 1 74 74 ALA CB C 74 19.198 19.198 18.992 0.206 25706 6143 1 14 . 1 1 74 74 ALA H H 74 7.765 7.765 7.831 -0.066 25706 6144 1 14 . 1 1 75 75 GLY N N 75 106.485 106.485 106.140 0.345 25706 6145 1 14 . 1 1 75 75 GLY C C 75 174.299 174.299 174.702 -0.403 25706 6146 1 14 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.242 0.545 25706 6147 1 14 . 1 1 75 75 GLY H H 75 7.895 7.895 7.507 0.388 25706 6148 1 14 . 1 1 76 76 ARG N N 76 119.703 119.703 119.662 0.041 25706 6149 1 14 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.699 -0.197 25706 6150 1 14 . 1 1 76 76 ARG C C 76 175.750 175.750 175.435 0.315 25706 6151 1 14 . 1 1 76 76 ARG CA C 76 55.407 55.407 54.193 1.214 25706 6152 1 14 . 1 1 76 76 ARG CB C 76 31.303 31.303 31.723 -0.420 25706 6153 1 14 . 1 1 76 76 ARG H H 76 8.110 8.110 8.268 -0.158 25706 6154 1 14 . 1 1 77 77 THR N N 77 116.771 116.771 113.962 2.809 25706 6155 1 14 . 1 1 77 77 THR HA H 77 4.582 4.582 4.367 0.215 25706 6156 1 14 . 1 1 77 77 THR CA C 77 59.920 59.920 59.891 0.029 25706 6157 1 14 . 1 1 77 77 THR CB C 77 69.810 69.810 68.698 1.112 25706 6158 1 14 . 1 1 77 77 THR H H 77 8.181 8.181 8.146 0.035 25706 6159 1 14 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.363 0.005 25706 6160 1 14 . 1 1 78 78 PRO C C 78 176.366 176.366 176.576 -0.210 25706 6161 1 14 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.748 0.406 25706 6162 1 14 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.451 -0.343 25706 6163 1 14 . 1 1 79 79 ALA N N 79 124.715 124.715 124.766 -0.051 25706 6164 1 14 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.296 -0.050 25706 6165 1 14 . 1 1 79 79 ALA C C 79 177.314 177.314 176.852 0.462 25706 6166 1 14 . 1 1 79 79 ALA CA C 79 52.398 52.398 52.164 0.234 25706 6167 1 14 . 1 1 79 79 ALA CB C 79 19.306 19.306 18.966 0.340 25706 6168 1 14 . 1 1 79 79 ALA H H 79 8.417 8.417 8.328 0.089 25706 6169 1 14 . 1 1 80 80 ALA N N 80 123.467 123.467 125.248 -1.781 25706 6170 1 14 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.455 -0.165 25706 6171 1 14 . 1 1 80 80 ALA C C 80 177.000 177.000 176.657 0.343 25706 6172 1 14 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.747 0.263 25706 6173 1 14 . 1 1 80 80 ALA CB C 80 19.447 19.447 20.067 -0.620 25706 6174 1 14 . 1 1 80 80 ALA H H 80 8.232 8.232 8.104 0.128 25706 6175 1 14 . 1 1 81 81 ALA N N 81 125.029 125.029 124.203 0.826 25706 6176 1 14 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.197 0.365 25706 6177 1 14 . 1 1 81 81 ALA CA C 81 50.431 50.431 52.191 -1.760 25706 6178 1 14 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.284 1.196 25706 6179 1 14 . 1 1 81 81 ALA H H 81 8.250 8.250 8.459 -0.209 25706 6180 1 14 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.439 -0.027 25706 6181 1 14 . 1 1 82 82 PRO C C 82 176.531 176.531 175.937 0.594 25706 6182 1 14 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.126 -0.128 25706 6183 1 14 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.878 0.205 25706 6184 1 14 . 1 1 83 83 ARG N N 83 122.956 122.956 119.530 3.426 25706 6185 1 14 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.742 -0.131 25706 6186 1 14 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.912 -0.134 25706 6187 1 14 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.673 0.569 25706 6188 1 14 . 1 1 83 83 ARG H H 83 8.384 8.384 7.716 0.668 25706 6189 1 15 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.582 -0.110 25706 6190 1 15 . 1 1 2 2 PRO C C 2 177.459 177.459 178.376 -0.917 25706 6191 1 15 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.588 0.986 25706 6192 1 15 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.503 -0.357 25706 6193 1 15 . 1 1 3 3 GLY N N 3 109.882 109.882 109.294 0.588 25706 6194 1 15 . 1 1 3 3 GLY C C 3 174.103 174.103 174.194 -0.091 25706 6195 1 15 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.247 0.025 25706 6196 1 15 . 1 1 3 3 GLY H H 3 8.645 8.645 8.895 -0.250 25706 6197 1 15 . 1 1 4 4 SER N N 4 115.534 115.534 115.340 0.194 25706 6198 1 15 . 1 1 4 4 SER HA H 4 4.438 4.438 4.698 -0.260 25706 6199 1 15 . 1 1 4 4 SER C C 4 174.137 174.137 174.248 -0.111 25706 6200 1 15 . 1 1 4 4 SER CA C 4 58.319 58.319 57.553 0.766 25706 6201 1 15 . 1 1 4 4 SER CB C 4 63.864 63.864 64.667 -0.803 25706 6202 1 15 . 1 1 4 4 SER H H 4 8.127 8.127 7.321 0.806 25706 6203 1 15 . 1 1 5 5 TYR N N 5 122.533 122.533 122.823 -0.290 25706 6204 1 15 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.424 0.246 25706 6205 1 15 . 1 1 5 5 TYR C C 5 176.109 176.109 175.648 0.461 25706 6206 1 15 . 1 1 5 5 TYR CA C 5 58.115 58.115 59.042 -0.927 25706 6207 1 15 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.034 -1.179 25706 6208 1 15 . 1 1 5 5 TYR H H 5 8.349 8.349 8.947 -0.598 25706 6209 1 15 . 1 1 6 6 THR N N 6 116.290 116.290 114.672 1.618 25706 6210 1 15 . 1 1 6 6 THR HA H 6 4.305 4.305 4.185 0.120 25706 6211 1 15 . 1 1 6 6 THR C C 6 174.899 174.899 175.420 -0.521 25706 6212 1 15 . 1 1 6 6 THR CA C 6 61.743 61.743 62.364 -0.621 25706 6213 1 15 . 1 1 6 6 THR CB C 6 69.859 69.859 68.588 1.272 25706 6214 1 15 . 1 1 6 6 THR H H 6 8.177 8.177 7.430 0.747 25706 6215 1 15 . 1 1 7 7 GLY N N 7 110.576 110.576 112.301 -1.725 25706 6216 1 15 . 1 1 7 7 GLY C C 7 173.596 173.596 174.932 -1.336 25706 6217 1 15 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.700 -0.353 25706 6218 1 15 . 1 1 7 7 GLY H H 7 7.646 7.646 8.802 -1.156 25706 6219 1 15 . 1 1 8 8 ALA N N 8 123.499 123.499 122.761 0.738 25706 6220 1 15 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.435 -0.080 25706 6221 1 15 . 1 1 8 8 ALA C C 8 178.119 178.119 177.283 0.836 25706 6222 1 15 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.287 0.260 25706 6223 1 15 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.046 0.341 25706 6224 1 15 . 1 1 8 8 ALA H H 8 8.171 8.171 7.665 0.506 25706 6225 1 15 . 1 1 9 9 GLY N N 9 108.467 108.467 106.577 1.890 25706 6226 1 15 . 1 1 9 9 GLY C C 9 173.664 173.664 172.193 1.471 25706 6227 1 15 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.953 0.176 25706 6228 1 15 . 1 1 9 9 GLY H H 9 8.398 8.398 7.541 0.857 25706 6229 1 15 . 1 1 10 10 GLU N N 10 121.535 121.535 121.030 0.505 25706 6230 1 15 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.674 -0.076 25706 6231 1 15 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.622 -0.370 25706 6232 1 15 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.174 -0.214 25706 6233 1 15 . 1 1 10 10 GLU H H 10 8.230 8.230 8.406 -0.176 25706 6234 1 15 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.443 0.011 25706 6235 1 15 . 1 1 11 11 PRO C C 11 176.799 176.799 176.882 -0.083 25706 6236 1 15 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.469 0.833 25706 6237 1 15 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.215 -0.191 25706 6238 1 15 . 1 1 12 12 SER N N 12 117.122 117.122 116.831 0.291 25706 6239 1 15 . 1 1 12 12 SER HA H 12 4.469 4.469 4.371 0.098 25706 6240 1 15 . 1 1 12 12 SER C C 12 174.904 174.904 176.186 -1.282 25706 6241 1 15 . 1 1 12 12 SER CA C 12 57.876 57.876 57.389 0.487 25706 6242 1 15 . 1 1 12 12 SER CB C 12 64.624 64.624 65.020 -0.396 25706 6243 1 15 . 1 1 12 12 SER H H 12 8.721 8.721 8.295 0.426 25706 6244 1 15 . 1 1 13 13 GLN N N 13 121.678 121.678 120.819 0.859 25706 6245 1 15 . 1 1 13 13 GLN HA H 13 4.120 4.120 3.995 0.125 25706 6246 1 15 . 1 1 13 13 GLN C C 13 178.113 178.113 177.398 0.715 25706 6247 1 15 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.551 -0.694 25706 6248 1 15 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.015 0.727 25706 6249 1 15 . 1 1 13 13 GLN H H 13 8.660 8.660 8.895 -0.235 25706 6250 1 15 . 1 1 14 14 ALA N N 14 122.557 122.557 122.454 0.103 25706 6251 1 15 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.169 0.039 25706 6252 1 15 . 1 1 14 14 ALA C C 14 179.168 179.168 179.318 -0.150 25706 6253 1 15 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.690 -0.627 25706 6254 1 15 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.231 0.743 25706 6255 1 15 . 1 1 14 14 ALA H H 14 8.251 8.251 8.235 0.016 25706 6256 1 15 . 1 1 15 15 ASP N N 15 120.191 120.191 120.124 0.067 25706 6257 1 15 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.449 0.046 25706 6258 1 15 . 1 1 15 15 ASP C C 15 178.121 178.121 178.703 -0.582 25706 6259 1 15 . 1 1 15 15 ASP CA C 15 55.503 55.503 57.073 -1.570 25706 6260 1 15 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.483 0.102 25706 6261 1 15 . 1 1 15 15 ASP H H 15 8.049 8.049 8.048 0.001 25706 6262 1 15 . 1 1 16 16 LEU N N 16 122.661 122.661 120.453 2.208 25706 6263 1 15 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.898 0.105 25706 6264 1 15 . 1 1 16 16 LEU C C 16 178.320 178.320 178.380 -0.060 25706 6265 1 15 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.983 -0.248 25706 6266 1 15 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.875 0.042 25706 6267 1 15 . 1 1 16 16 LEU H H 16 8.258 8.258 8.174 0.084 25706 6268 1 15 . 1 1 17 17 ASP N N 17 119.364 119.364 119.242 0.122 25706 6269 1 15 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.203 0.040 25706 6270 1 15 . 1 1 17 17 ASP C C 17 178.534 178.534 177.969 0.565 25706 6271 1 15 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.612 0.482 25706 6272 1 15 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.826 0.629 25706 6273 1 15 . 1 1 17 17 ASP H H 17 8.299 8.299 8.101 0.198 25706 6274 1 15 . 1 1 18 18 ALA N N 18 121.057 121.057 121.819 -0.762 25706 6275 1 15 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.128 -0.003 25706 6276 1 15 . 1 1 18 18 ALA C C 18 180.942 180.942 179.706 1.236 25706 6277 1 15 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.051 -0.104 25706 6278 1 15 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.466 -0.249 25706 6279 1 15 . 1 1 18 18 ALA H H 18 7.851 7.851 7.859 -0.008 25706 6280 1 15 . 1 1 19 19 LEU N N 19 122.159 122.159 119.945 2.214 25706 6281 1 15 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.077 -0.102 25706 6282 1 15 . 1 1 19 19 LEU C C 19 178.447 178.447 178.644 -0.197 25706 6283 1 15 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.683 1.131 25706 6284 1 15 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.171 0.202 25706 6285 1 15 . 1 1 19 19 LEU H H 19 7.941 7.941 7.442 0.499 25706 6286 1 15 . 1 1 20 20 LEU N N 20 119.065 119.065 118.623 0.442 25706 6287 1 15 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.903 -0.193 25706 6288 1 15 . 1 1 20 20 LEU C C 20 179.763 179.763 179.131 0.632 25706 6289 1 15 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.197 0.200 25706 6290 1 15 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.359 -1.493 25706 6291 1 15 . 1 1 20 20 LEU H H 20 8.454 8.454 8.673 -0.219 25706 6292 1 15 . 1 1 21 21 SER N N 21 115.603 115.603 114.439 1.164 25706 6293 1 15 . 1 1 21 21 SER HA H 21 4.199 4.199 4.171 0.028 25706 6294 1 15 . 1 1 21 21 SER C C 21 175.002 175.002 175.847 -0.845 25706 6295 1 15 . 1 1 21 21 SER CA C 21 62.502 62.502 62.040 0.462 25706 6296 1 15 . 1 1 21 21 SER CB C 21 62.806 62.806 62.698 0.108 25706 6297 1 15 . 1 1 21 21 SER H H 21 8.248 8.248 8.347 -0.099 25706 6298 1 15 . 1 1 22 22 ALA N N 22 123.437 123.437 123.623 -0.186 25706 6299 1 15 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.248 -0.182 25706 6300 1 15 . 1 1 22 22 ALA C C 22 180.273 180.273 178.981 1.292 25706 6301 1 15 . 1 1 22 22 ALA CA C 22 55.487 55.487 55.066 0.421 25706 6302 1 15 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.451 -0.220 25706 6303 1 15 . 1 1 22 22 ALA H H 22 7.982 7.982 7.640 0.342 25706 6304 1 15 . 1 1 23 23 VAL N N 23 119.580 119.580 118.893 0.687 25706 6305 1 15 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.279 -0.046 25706 6306 1 15 . 1 1 23 23 VAL C C 23 180.144 180.144 178.192 1.952 25706 6307 1 15 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.593 0.881 25706 6308 1 15 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.403 0.808 25706 6309 1 15 . 1 1 23 23 VAL H H 23 8.382 8.382 7.406 0.976 25706 6310 1 15 . 1 1 24 24 ARG N N 24 122.585 122.585 121.770 0.815 25706 6311 1 15 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.012 -0.091 25706 6312 1 15 . 1 1 24 24 ARG C C 24 177.169 177.169 177.583 -0.414 25706 6313 1 15 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.218 1.296 25706 6314 1 15 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.001 -0.106 25706 6315 1 15 . 1 1 24 24 ARG H H 24 8.589 8.589 8.592 -0.003 25706 6316 1 15 . 1 1 25 25 ASP N N 25 115.538 115.538 116.786 -1.248 25706 6317 1 15 . 1 1 25 25 ASP C C 25 175.579 175.579 175.573 0.006 25706 6318 1 15 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.487 0.866 25706 6319 1 15 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.608 0.107 25706 6320 1 15 . 1 1 25 25 ASP H H 25 8.083 8.083 7.784 0.299 25706 6321 1 15 . 1 1 26 26 ASN N N 26 113.668 113.668 115.429 -1.761 25706 6322 1 15 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.432 0.060 25706 6323 1 15 . 1 1 26 26 ASN C C 26 174.953 174.953 175.653 -0.700 25706 6324 1 15 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.586 0.637 25706 6325 1 15 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.705 -0.254 25706 6326 1 15 . 1 1 26 26 ASN H H 26 7.860 7.860 7.760 0.100 25706 6327 1 15 . 1 1 27 27 ARG N N 27 117.078 117.078 116.436 0.642 25706 6328 1 15 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.407 -0.104 25706 6329 1 15 . 1 1 27 27 ARG C C 27 176.011 176.011 175.753 0.258 25706 6330 1 15 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.579 1.003 25706 6331 1 15 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.626 -0.252 25706 6332 1 15 . 1 1 27 27 ARG H H 27 8.700 8.700 8.269 0.431 25706 6333 1 15 . 1 1 28 28 LEU N N 28 119.538 119.538 120.579 -1.041 25706 6334 1 15 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.625 0.001 25706 6335 1 15 . 1 1 28 28 LEU C C 28 175.563 175.563 175.061 0.502 25706 6336 1 15 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.178 0.225 25706 6337 1 15 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.184 1.536 25706 6338 1 15 . 1 1 28 28 LEU H H 28 7.101 7.101 7.635 -0.534 25706 6339 1 15 . 1 1 29 29 SER N N 29 119.714 119.714 119.312 0.402 25706 6340 1 15 . 1 1 29 29 SER HA H 29 4.512 4.512 4.706 -0.194 25706 6341 1 15 . 1 1 29 29 SER C C 29 174.769 174.769 175.841 -1.072 25706 6342 1 15 . 1 1 29 29 SER CA C 29 56.883 56.883 56.873 0.010 25706 6343 1 15 . 1 1 29 29 SER CB C 29 65.067 65.067 65.213 -0.146 25706 6344 1 15 . 1 1 29 29 SER H H 29 8.885 8.885 8.521 0.364 25706 6345 1 15 . 1 1 30 30 ILE N N 30 121.990 121.990 124.509 -2.519 25706 6346 1 15 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.715 -0.151 25706 6347 1 15 . 1 1 30 30 ILE C C 30 177.419 177.419 178.050 -0.631 25706 6348 1 15 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.530 1.176 25706 6349 1 15 . 1 1 30 30 ILE CB C 30 37.132 37.132 36.985 0.147 25706 6350 1 15 . 1 1 30 30 ILE H H 30 8.953 8.953 8.839 0.114 25706 6351 1 15 . 1 1 31 31 GLU N N 31 117.222 117.222 118.368 -1.146 25706 6352 1 15 . 1 1 31 31 GLU HA H 31 3.863 3.863 3.939 -0.076 25706 6353 1 15 . 1 1 31 31 GLU C C 31 179.559 179.559 178.718 0.841 25706 6354 1 15 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.461 1.053 25706 6355 1 15 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.024 0.022 25706 6356 1 15 . 1 1 31 31 GLU H H 31 8.669 8.669 8.807 -0.138 25706 6357 1 15 . 1 1 32 32 GLN N N 32 118.595 118.595 118.577 0.018 25706 6358 1 15 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.185 -0.140 25706 6359 1 15 . 1 1 32 32 GLN C C 32 179.113 179.113 178.280 0.833 25706 6360 1 15 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.229 0.272 25706 6361 1 15 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.108 1.178 25706 6362 1 15 . 1 1 32 32 GLN H H 32 7.949 7.949 8.266 -0.317 25706 6363 1 15 . 1 1 33 33 ALA N N 33 123.062 123.062 122.449 0.613 25706 6364 1 15 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.130 -0.217 25706 6365 1 15 . 1 1 33 33 ALA C C 33 178.918 178.918 179.908 -0.990 25706 6366 1 15 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.052 0.486 25706 6367 1 15 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.393 0.753 25706 6368 1 15 . 1 1 33 33 ALA H H 33 8.520 8.520 8.376 0.144 25706 6369 1 15 . 1 1 34 34 VAL N N 34 115.551 115.551 118.940 -3.389 25706 6370 1 15 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.712 -0.329 25706 6371 1 15 . 1 1 34 34 VAL C C 34 179.013 179.013 178.052 0.961 25706 6372 1 15 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.885 0.146 25706 6373 1 15 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.427 0.148 25706 6374 1 15 . 1 1 34 34 VAL H H 34 8.469 8.469 7.928 0.541 25706 6375 1 15 . 1 1 35 35 THR N N 35 114.806 114.806 115.837 -1.031 25706 6376 1 15 . 1 1 35 35 THR HA H 35 4.012 4.012 4.126 -0.114 25706 6377 1 15 . 1 1 35 35 THR C C 35 176.151 176.151 176.613 -0.462 25706 6378 1 15 . 1 1 35 35 THR CA C 35 65.944 65.944 66.168 -0.224 25706 6379 1 15 . 1 1 35 35 THR CB C 35 68.902 68.902 68.555 0.347 25706 6380 1 15 . 1 1 35 35 THR H H 35 7.598 7.598 8.031 -0.433 25706 6381 1 15 . 1 1 36 36 LEU N N 36 120.922 120.922 119.366 1.556 25706 6382 1 15 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.602 -0.419 25706 6383 1 15 . 1 1 36 36 LEU C C 36 177.940 177.940 178.285 -0.345 25706 6384 1 15 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.427 0.183 25706 6385 1 15 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.179 0.098 25706 6386 1 15 . 1 1 36 36 LEU H H 36 7.516 7.516 7.493 0.023 25706 6387 1 15 . 1 1 37 37 LEU N N 37 118.066 118.066 118.054 0.012 25706 6388 1 15 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.273 0.064 25706 6389 1 15 . 1 1 37 37 LEU C C 37 177.013 177.013 177.408 -0.395 25706 6390 1 15 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.719 -0.842 25706 6391 1 15 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.013 0.008 25706 6392 1 15 . 1 1 37 37 LEU H H 37 7.444 7.444 7.373 0.071 25706 6393 1 15 . 1 1 38 38 THR N N 38 116.689 116.689 116.408 0.281 25706 6394 1 15 . 1 1 38 38 THR HA H 38 4.469 4.469 4.367 0.102 25706 6395 1 15 . 1 1 38 38 THR CA C 38 61.736 61.736 61.608 0.128 25706 6396 1 15 . 1 1 38 38 THR CB C 38 69.544 69.544 69.627 -0.083 25706 6397 1 15 . 1 1 38 38 THR H H 38 7.925 7.925 8.095 -0.170 25706 6398 1 15 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.879 -0.406 25706 6399 1 15 . 1 1 39 39 PRO C C 39 177.055 177.055 177.044 0.011 25706 6400 1 15 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.499 1.006 25706 6401 1 15 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.828 -0.688 25706 6402 1 15 . 1 1 40 40 ARG N N 40 120.701 120.701 122.490 -1.789 25706 6403 1 15 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.096 0.211 25706 6404 1 15 . 1 1 40 40 ARG C C 40 176.527 176.527 176.961 -0.434 25706 6405 1 15 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.767 -1.460 25706 6406 1 15 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.208 0.589 25706 6407 1 15 . 1 1 40 40 ARG H H 40 8.384 8.384 8.525 -0.141 25706 6408 1 15 . 1 1 41 41 ARG N N 41 121.467 121.467 119.222 2.245 25706 6409 1 15 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.033 0.348 25706 6410 1 15 . 1 1 41 41 ARG C C 41 176.791 176.791 176.334 0.457 25706 6411 1 15 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.346 -0.119 25706 6412 1 15 . 1 1 41 41 ARG CB C 41 30.869 30.869 27.819 3.050 25706 6413 1 15 . 1 1 41 41 ARG H H 41 8.367 8.367 9.112 -0.745 25706 6414 1 15 . 1 1 42 42 GLY N N 42 110.418 110.418 106.846 3.572 25706 6415 1 15 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.925 0.422 25706 6416 1 15 . 1 1 42 42 GLY H H 42 8.538 8.538 7.875 0.663 25706 6417 1 15 . 1 1 44 44 GLY C C 44 174.487 174.487 174.847 -0.360 25706 6418 1 15 . 1 1 45 45 SER N N 45 115.788 115.788 117.781 -1.993 25706 6419 1 15 . 1 1 45 45 SER HA H 45 4.515 4.515 4.423 0.092 25706 6420 1 15 . 1 1 45 45 SER C C 45 175.337 175.337 174.633 0.704 25706 6421 1 15 . 1 1 45 45 SER CA C 45 58.590 58.590 58.081 0.509 25706 6422 1 15 . 1 1 45 45 SER CB C 45 63.920 63.920 63.826 0.094 25706 6423 1 15 . 1 1 45 45 SER H H 45 8.422 8.422 8.293 0.129 25706 6424 1 15 . 1 1 46 46 GLY N N 46 111.003 111.003 109.570 1.433 25706 6425 1 15 . 1 1 46 46 GLY C C 46 174.837 174.837 172.393 2.444 25706 6426 1 15 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.824 0.673 25706 6427 1 15 . 1 1 46 46 GLY H H 46 8.600 8.600 8.674 -0.074 25706 6428 1 15 . 1 1 47 47 GLY N N 47 108.933 108.933 106.856 2.077 25706 6429 1 15 . 1 1 47 47 GLY C C 47 174.864 174.864 174.340 0.524 25706 6430 1 15 . 1 1 47 47 GLY H H 47 8.398 8.398 8.370 0.028 25706 6431 1 15 . 1 1 48 48 GLY N N 48 108.905 108.905 108.921 -0.016 25706 6432 1 15 . 1 1 48 48 GLY C C 48 174.496 174.496 175.255 -0.759 25706 6433 1 15 . 1 1 48 48 GLY H H 48 8.418 8.418 8.965 -0.547 25706 6434 1 15 . 1 1 49 49 SER N N 49 115.575 115.575 116.457 -0.882 25706 6435 1 15 . 1 1 49 49 SER HA H 49 4.439 4.439 4.526 -0.087 25706 6436 1 15 . 1 1 49 49 SER C C 49 174.539 174.539 174.862 -0.323 25706 6437 1 15 . 1 1 49 49 SER CA C 49 58.826 58.826 58.017 0.809 25706 6438 1 15 . 1 1 49 49 SER CB C 49 64.100 64.100 63.657 0.443 25706 6439 1 15 . 1 1 49 49 SER H H 49 8.292 8.292 7.883 0.409 25706 6440 1 15 . 1 1 50 50 MET N N 50 121.907 121.907 123.356 -1.449 25706 6441 1 15 . 1 1 50 50 MET HA H 50 4.445 4.445 4.347 0.098 25706 6442 1 15 . 1 1 50 50 MET C C 50 175.456 175.456 175.447 0.009 25706 6443 1 15 . 1 1 50 50 MET CA C 50 55.951 55.951 55.265 0.686 25706 6444 1 15 . 1 1 50 50 MET CB C 50 33.967 33.967 31.483 2.484 25706 6445 1 15 . 1 1 50 50 MET H H 50 8.310 8.310 8.459 -0.149 25706 6446 1 15 . 1 1 51 51 ASP N N 51 122.904 122.904 124.857 -1.953 25706 6447 1 15 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.700 -0.059 25706 6448 1 15 . 1 1 51 51 ASP C C 51 176.239 176.239 176.875 -0.636 25706 6449 1 15 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.926 -0.415 25706 6450 1 15 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.756 -2.243 25706 6451 1 15 . 1 1 51 51 ASP H H 51 8.506 8.506 7.947 0.559 25706 6452 1 15 . 1 1 52 52 ALA N N 52 123.354 123.354 128.015 -4.661 25706 6453 1 15 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.960 -0.114 25706 6454 1 15 . 1 1 52 52 ALA C C 52 178.517 178.517 179.255 -0.738 25706 6455 1 15 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.046 0.552 25706 6456 1 15 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.762 -0.145 25706 6457 1 15 . 1 1 52 52 ALA H H 52 8.506 8.506 8.691 -0.185 25706 6458 1 15 . 1 1 53 53 LYS N N 53 117.034 117.034 118.211 -1.177 25706 6459 1 15 . 1 1 53 53 LYS HA H 53 3.598 3.598 3.998 -0.400 25706 6460 1 15 . 1 1 53 53 LYS C C 53 179.171 179.171 178.479 0.692 25706 6461 1 15 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.552 0.850 25706 6462 1 15 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.092 -0.034 25706 6463 1 15 . 1 1 53 53 LYS H H 53 8.407 8.407 8.626 -0.219 25706 6464 1 15 . 1 1 54 54 GLU N N 54 123.212 123.212 119.355 3.857 25706 6465 1 15 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.115 -0.042 25706 6466 1 15 . 1 1 54 54 GLU C C 54 178.526 178.526 179.183 -0.657 25706 6467 1 15 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.072 0.672 25706 6468 1 15 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.014 0.324 25706 6469 1 15 . 1 1 54 54 GLU H H 54 8.005 8.005 8.161 -0.156 25706 6470 1 15 . 1 1 55 55 ILE N N 55 119.567 119.567 120.688 -1.121 25706 6471 1 15 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.733 -0.304 25706 6472 1 15 . 1 1 55 55 ILE C C 55 177.999 177.999 178.225 -0.226 25706 6473 1 15 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.603 0.009 25706 6474 1 15 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.880 0.831 25706 6475 1 15 . 1 1 55 55 ILE H H 55 8.088 8.088 8.155 -0.067 25706 6476 1 15 . 1 1 56 56 LEU N N 56 116.646 116.646 120.526 -3.880 25706 6477 1 15 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.184 -0.180 25706 6478 1 15 . 1 1 56 56 LEU C C 56 178.636 178.636 179.546 -0.910 25706 6479 1 15 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.135 -0.071 25706 6480 1 15 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.403 2.541 25706 6481 1 15 . 1 1 56 56 LEU H H 56 8.477 8.477 8.552 -0.075 25706 6482 1 15 . 1 1 57 57 THR N N 57 117.148 117.148 116.083 1.065 25706 6483 1 15 . 1 1 57 57 THR HA H 57 3.833 3.833 3.980 -0.147 25706 6484 1 15 . 1 1 57 57 THR C C 57 175.836 175.836 176.858 -1.022 25706 6485 1 15 . 1 1 57 57 THR CA C 57 67.615 67.615 67.321 0.294 25706 6486 1 15 . 1 1 57 57 THR CB C 57 68.860 68.860 68.514 0.346 25706 6487 1 15 . 1 1 57 57 THR H H 57 8.260 8.260 8.639 -0.379 25706 6488 1 15 . 1 1 58 58 ARG N N 58 120.818 120.818 121.509 -0.691 25706 6489 1 15 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.043 0.205 25706 6490 1 15 . 1 1 58 58 ARG C C 58 179.476 179.476 178.323 1.153 25706 6491 1 15 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.623 -0.348 25706 6492 1 15 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.129 0.419 25706 6493 1 15 . 1 1 58 58 ARG H H 58 8.202 8.202 8.057 0.145 25706 6494 1 15 . 1 1 59 59 PHE N N 59 119.668 119.668 121.625 -1.957 25706 6495 1 15 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.477 0.271 25706 6496 1 15 . 1 1 59 59 PHE C C 59 178.260 178.260 177.264 0.996 25706 6497 1 15 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.178 0.099 25706 6498 1 15 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.189 0.031 25706 6499 1 15 . 1 1 59 59 PHE H H 59 8.615 8.615 8.473 0.142 25706 6500 1 15 . 1 1 60 60 LYS N N 60 123.687 123.687 118.907 4.780 25706 6501 1 15 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.564 -0.077 25706 6502 1 15 . 1 1 60 60 LYS C C 60 177.801 177.801 178.246 -0.445 25706 6503 1 15 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.192 0.633 25706 6504 1 15 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.373 0.043 25706 6505 1 15 . 1 1 60 60 LYS H H 60 8.800 8.800 8.411 0.389 25706 6506 1 15 . 1 1 61 61 ASP N N 61 116.083 116.083 117.411 -1.328 25706 6507 1 15 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.429 0.164 25706 6508 1 15 . 1 1 61 61 ASP C C 61 177.052 177.052 176.860 0.192 25706 6509 1 15 . 1 1 61 61 ASP CA C 61 54.919 54.919 55.114 -0.195 25706 6510 1 15 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.089 -0.083 25706 6511 1 15 . 1 1 61 61 ASP H H 61 8.107 8.107 7.944 0.163 25706 6512 1 15 . 1 1 62 62 GLY N N 62 107.294 107.294 105.893 1.401 25706 6513 1 15 . 1 1 62 62 GLY C C 62 175.018 175.018 175.684 -0.666 25706 6514 1 15 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.063 0.322 25706 6515 1 15 . 1 1 62 62 GLY H H 62 7.625 7.625 7.463 0.162 25706 6516 1 15 . 1 1 63 63 GLY N N 63 109.718 109.718 108.108 1.610 25706 6517 1 15 . 1 1 63 63 GLY C C 63 173.393 173.393 174.226 -0.833 25706 6518 1 15 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.923 0.814 25706 6519 1 15 . 1 1 63 63 GLY H H 63 8.687 8.687 8.145 0.542 25706 6520 1 15 . 1 1 64 64 LEU N N 64 119.332 119.332 120.608 -1.276 25706 6521 1 15 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.711 0.007 25706 6522 1 15 . 1 1 64 64 LEU C C 64 175.357 175.357 175.431 -0.074 25706 6523 1 15 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.069 -0.132 25706 6524 1 15 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.308 1.769 25706 6525 1 15 . 1 1 64 64 LEU H H 64 7.034 7.034 7.283 -0.249 25706 6526 1 15 . 1 1 65 65 ASP N N 65 121.569 121.569 124.697 -3.128 25706 6527 1 15 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.888 -0.095 25706 6528 1 15 . 1 1 65 65 ASP C C 65 175.652 175.652 177.300 -1.648 25706 6529 1 15 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.450 -1.573 25706 6530 1 15 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.906 -1.088 25706 6531 1 15 . 1 1 65 65 ASP H H 65 8.287 8.287 8.659 -0.372 25706 6532 1 15 . 1 1 66 66 ARG N N 66 120.199 120.199 122.876 -2.677 25706 6533 1 15 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.631 0.124 25706 6534 1 15 . 1 1 66 66 ARG C C 66 177.271 177.271 177.883 -0.612 25706 6535 1 15 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.832 0.732 25706 6536 1 15 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.231 0.618 25706 6537 1 15 . 1 1 66 66 ARG H H 66 8.860 8.860 8.946 -0.086 25706 6538 1 15 . 1 1 67 67 ALA N N 67 120.212 120.212 121.082 -0.870 25706 6539 1 15 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.177 -0.093 25706 6540 1 15 . 1 1 67 67 ALA C C 67 181.015 181.015 179.518 1.497 25706 6541 1 15 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.768 0.408 25706 6542 1 15 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.019 -0.178 25706 6543 1 15 . 1 1 67 67 ALA H H 67 8.339 8.339 8.527 -0.188 25706 6544 1 15 . 1 1 68 68 ALA N N 68 122.433 122.433 121.720 0.713 25706 6545 1 15 . 1 1 68 68 ALA HA H 68 4.155 4.155 3.988 0.167 25706 6546 1 15 . 1 1 68 68 ALA C C 68 180.071 180.071 179.255 0.816 25706 6547 1 15 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.688 0.262 25706 6548 1 15 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.313 0.934 25706 6549 1 15 . 1 1 68 68 ALA H H 68 8.184 8.184 8.240 -0.056 25706 6550 1 15 . 1 1 69 69 ALA N N 69 119.845 119.845 121.329 -1.484 25706 6551 1 15 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.854 -0.022 25706 6552 1 15 . 1 1 69 69 ALA C C 69 178.826 178.826 179.669 -0.843 25706 6553 1 15 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.073 0.457 25706 6554 1 15 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.814 0.163 25706 6555 1 15 . 1 1 69 69 ALA H H 69 8.511 8.511 8.456 0.055 25706 6556 1 15 . 1 1 70 70 GLN N N 70 116.137 116.137 118.317 -2.180 25706 6557 1 15 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.779 -0.179 25706 6558 1 15 . 1 1 70 70 GLN C C 70 177.832 177.832 178.428 -0.596 25706 6559 1 15 . 1 1 70 70 GLN CA C 70 60.050 60.050 59.013 1.037 25706 6560 1 15 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.529 -0.354 25706 6561 1 15 . 1 1 70 70 GLN H H 70 8.528 8.528 8.140 0.388 25706 6562 1 15 . 1 1 71 71 ALA N N 71 120.118 120.118 122.938 -2.820 25706 6563 1 15 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.036 0.027 25706 6564 1 15 . 1 1 71 71 ALA C C 71 180.495 180.495 179.899 0.596 25706 6565 1 15 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.092 0.086 25706 6566 1 15 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.369 -0.473 25706 6567 1 15 . 1 1 71 71 ALA H H 71 7.625 7.625 7.772 -0.147 25706 6568 1 15 . 1 1 72 72 LEU N N 72 117.959 117.959 118.788 -0.829 25706 6569 1 15 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.077 0.096 25706 6570 1 15 . 1 1 72 72 LEU C C 72 180.674 180.674 179.390 1.284 25706 6571 1 15 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.538 0.015 25706 6572 1 15 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.476 1.291 25706 6573 1 15 . 1 1 72 72 LEU H H 72 8.068 8.068 8.053 0.015 25706 6574 1 15 . 1 1 73 73 LEU N N 73 119.237 119.237 117.847 1.390 25706 6575 1 15 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.966 0.148 25706 6576 1 15 . 1 1 73 73 LEU C C 73 177.691 177.691 178.628 -0.937 25706 6577 1 15 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.002 -0.278 25706 6578 1 15 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.780 0.809 25706 6579 1 15 . 1 1 73 73 LEU H H 73 8.251 8.251 8.021 0.230 25706 6580 1 15 . 1 1 74 74 ALA N N 74 120.421 120.421 118.372 2.049 25706 6581 1 15 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.146 0.142 25706 6582 1 15 . 1 1 74 74 ALA C C 74 178.222 178.222 177.907 0.315 25706 6583 1 15 . 1 1 74 74 ALA CA C 74 52.861 52.861 53.355 -0.493 25706 6584 1 15 . 1 1 74 74 ALA CB C 74 19.198 19.198 20.030 -0.832 25706 6585 1 15 . 1 1 74 74 ALA H H 74 7.765 7.765 7.885 -0.120 25706 6586 1 15 . 1 1 75 75 GLY N N 75 106.485 106.485 104.471 2.014 25706 6587 1 15 . 1 1 75 75 GLY C C 75 174.299 174.299 173.912 0.387 25706 6588 1 15 . 1 1 75 75 GLY CA C 75 45.787 45.787 44.740 1.047 25706 6589 1 15 . 1 1 75 75 GLY H H 75 7.895 7.895 7.966 -0.071 25706 6590 1 15 . 1 1 76 76 ARG N N 76 119.703 119.703 119.636 0.067 25706 6591 1 15 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.767 -0.265 25706 6592 1 15 . 1 1 76 76 ARG C C 76 175.750 175.750 174.408 1.342 25706 6593 1 15 . 1 1 76 76 ARG CA C 76 55.407 55.407 54.300 1.107 25706 6594 1 15 . 1 1 76 76 ARG CB C 76 31.303 31.303 31.956 -0.653 25706 6595 1 15 . 1 1 76 76 ARG H H 76 8.110 8.110 8.087 0.023 25706 6596 1 15 . 1 1 77 77 THR N N 77 116.771 116.771 112.658 4.113 25706 6597 1 15 . 1 1 77 77 THR HA H 77 4.582 4.582 4.468 0.114 25706 6598 1 15 . 1 1 77 77 THR CA C 77 59.920 59.920 60.227 -0.307 25706 6599 1 15 . 1 1 77 77 THR CB C 77 69.810 69.810 69.030 0.780 25706 6600 1 15 . 1 1 77 77 THR H H 77 8.181 8.181 8.229 -0.048 25706 6601 1 15 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.445 -0.077 25706 6602 1 15 . 1 1 78 78 PRO C C 78 176.366 176.366 175.384 0.982 25706 6603 1 15 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.858 0.296 25706 6604 1 15 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.188 -0.079 25706 6605 1 15 . 1 1 79 79 ALA N N 79 124.715 124.715 123.614 1.101 25706 6606 1 15 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.407 -0.161 25706 6607 1 15 . 1 1 79 79 ALA C C 79 177.314 177.314 176.170 1.144 25706 6608 1 15 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.308 1.090 25706 6609 1 15 . 1 1 79 79 ALA CB C 79 19.306 19.306 20.774 -1.468 25706 6610 1 15 . 1 1 79 79 ALA H H 79 8.417 8.417 8.097 0.320 25706 6611 1 15 . 1 1 80 80 ALA N N 80 123.467 123.467 123.468 -0.001 25706 6612 1 15 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.543 -0.253 25706 6613 1 15 . 1 1 80 80 ALA C C 80 177.000 177.000 177.211 -0.211 25706 6614 1 15 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.209 -0.199 25706 6615 1 15 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.092 0.355 25706 6616 1 15 . 1 1 80 80 ALA H H 80 8.232 8.232 8.303 -0.071 25706 6617 1 15 . 1 1 81 81 ALA N N 81 125.029 125.029 126.116 -1.087 25706 6618 1 15 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.715 -0.153 25706 6619 1 15 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.284 -0.853 25706 6620 1 15 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.282 0.198 25706 6621 1 15 . 1 1 81 81 ALA H H 81 8.250 8.250 8.339 -0.089 25706 6622 1 15 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.490 -0.078 25706 6623 1 15 . 1 1 82 82 PRO C C 82 176.531 176.531 176.481 0.050 25706 6624 1 15 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.513 0.485 25706 6625 1 15 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.322 1.761 25706 6626 1 15 . 1 1 83 83 ARG N N 83 122.956 122.956 122.513 0.443 25706 6627 1 15 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.475 0.136 25706 6628 1 15 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.954 -1.176 25706 6629 1 15 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.783 0.459 25706 6630 1 15 . 1 1 83 83 ARG H H 83 8.384 8.384 7.940 0.444 25706 6631 1 16 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.661 -0.189 25706 6632 1 16 . 1 1 2 2 PRO C C 2 177.459 177.459 176.115 1.344 25706 6633 1 16 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.775 0.799 25706 6634 1 16 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.829 -0.683 25706 6635 1 16 . 1 1 3 3 GLY N N 3 109.882 109.882 107.502 2.380 25706 6636 1 16 . 1 1 3 3 GLY C C 3 174.103 174.103 174.367 -0.264 25706 6637 1 16 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.574 0.698 25706 6638 1 16 . 1 1 3 3 GLY H H 3 8.645 8.645 8.625 0.020 25706 6639 1 16 . 1 1 4 4 SER N N 4 115.534 115.534 114.761 0.773 25706 6640 1 16 . 1 1 4 4 SER HA H 4 4.438 4.438 4.511 -0.073 25706 6641 1 16 . 1 1 4 4 SER C C 4 174.137 174.137 174.024 0.113 25706 6642 1 16 . 1 1 4 4 SER CA C 4 58.319 58.319 59.547 -1.228 25706 6643 1 16 . 1 1 4 4 SER CB C 4 63.864 63.864 63.436 0.428 25706 6644 1 16 . 1 1 4 4 SER H H 4 8.127 8.127 8.654 -0.527 25706 6645 1 16 . 1 1 5 5 TYR N N 5 122.533 122.533 120.908 1.625 25706 6646 1 16 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.607 0.063 25706 6647 1 16 . 1 1 5 5 TYR C C 5 176.109 176.109 174.740 1.369 25706 6648 1 16 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.385 0.730 25706 6649 1 16 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.016 -1.161 25706 6650 1 16 . 1 1 5 5 TYR H H 5 8.349 8.349 7.777 0.572 25706 6651 1 16 . 1 1 6 6 THR N N 6 116.290 116.290 114.434 1.856 25706 6652 1 16 . 1 1 6 6 THR HA H 6 4.305 4.305 4.311 -0.006 25706 6653 1 16 . 1 1 6 6 THR C C 6 174.899 174.899 174.872 0.027 25706 6654 1 16 . 1 1 6 6 THR CA C 6 61.743 61.743 61.675 0.068 25706 6655 1 16 . 1 1 6 6 THR CB C 6 69.859 69.859 70.829 -0.969 25706 6656 1 16 . 1 1 6 6 THR H H 6 8.177 8.177 7.871 0.306 25706 6657 1 16 . 1 1 7 7 GLY N N 7 110.576 110.576 110.446 0.130 25706 6658 1 16 . 1 1 7 7 GLY C C 7 173.596 173.596 173.589 0.007 25706 6659 1 16 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.196 1.151 25706 6660 1 16 . 1 1 7 7 GLY H H 7 7.646 7.646 7.352 0.294 25706 6661 1 16 . 1 1 8 8 ALA N N 8 123.499 123.499 122.224 1.275 25706 6662 1 16 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.480 -0.125 25706 6663 1 16 . 1 1 8 8 ALA C C 8 178.119 178.119 177.977 0.142 25706 6664 1 16 . 1 1 8 8 ALA CA C 8 52.547 52.547 51.438 1.109 25706 6665 1 16 . 1 1 8 8 ALA CB C 8 19.387 19.387 20.050 -0.664 25706 6666 1 16 . 1 1 8 8 ALA H H 8 8.171 8.171 8.570 -0.399 25706 6667 1 16 . 1 1 9 9 GLY N N 9 108.467 108.467 108.036 0.431 25706 6668 1 16 . 1 1 9 9 GLY C C 9 173.664 173.664 174.344 -0.680 25706 6669 1 16 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.494 0.635 25706 6670 1 16 . 1 1 9 9 GLY H H 9 8.398 8.398 8.334 0.064 25706 6671 1 16 . 1 1 10 10 GLU N N 10 121.535 121.535 120.992 0.543 25706 6672 1 16 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.373 0.225 25706 6673 1 16 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.618 -0.366 25706 6674 1 16 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.791 0.168 25706 6675 1 16 . 1 1 10 10 GLU H H 10 8.230 8.230 8.286 -0.056 25706 6676 1 16 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.430 0.024 25706 6677 1 16 . 1 1 11 11 PRO C C 11 176.799 176.799 176.403 0.396 25706 6678 1 16 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.619 0.683 25706 6679 1 16 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.775 -0.751 25706 6680 1 16 . 1 1 12 12 SER N N 12 117.122 117.122 116.762 0.360 25706 6681 1 16 . 1 1 12 12 SER HA H 12 4.469 4.469 4.472 -0.003 25706 6682 1 16 . 1 1 12 12 SER C C 12 174.904 174.904 176.315 -1.411 25706 6683 1 16 . 1 1 12 12 SER CA C 12 57.876 57.876 56.616 1.260 25706 6684 1 16 . 1 1 12 12 SER CB C 12 64.624 64.624 64.716 -0.092 25706 6685 1 16 . 1 1 12 12 SER H H 12 8.721 8.721 8.244 0.477 25706 6686 1 16 . 1 1 13 13 GLN N N 13 121.678 121.678 125.657 -3.979 25706 6687 1 16 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.050 0.070 25706 6688 1 16 . 1 1 13 13 GLN C C 13 178.113 178.113 177.115 0.998 25706 6689 1 16 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.623 -0.766 25706 6690 1 16 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.241 0.501 25706 6691 1 16 . 1 1 13 13 GLN H H 13 8.660 8.660 9.016 -0.356 25706 6692 1 16 . 1 1 14 14 ALA N N 14 122.557 122.557 121.430 1.127 25706 6693 1 16 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.142 0.066 25706 6694 1 16 . 1 1 14 14 ALA C C 14 179.168 179.168 179.137 0.031 25706 6695 1 16 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.488 -0.425 25706 6696 1 16 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.449 0.525 25706 6697 1 16 . 1 1 14 14 ALA H H 14 8.251 8.251 7.691 0.560 25706 6698 1 16 . 1 1 15 15 ASP N N 15 120.191 120.191 120.326 -0.135 25706 6699 1 16 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.555 -0.060 25706 6700 1 16 . 1 1 15 15 ASP C C 15 178.121 178.121 178.369 -0.248 25706 6701 1 16 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.648 -1.145 25706 6702 1 16 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.778 -0.193 25706 6703 1 16 . 1 1 15 15 ASP H H 15 8.049 8.049 7.679 0.370 25706 6704 1 16 . 1 1 16 16 LEU N N 16 122.661 122.661 121.090 1.571 25706 6705 1 16 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.857 0.146 25706 6706 1 16 . 1 1 16 16 LEU C C 16 178.320 178.320 178.595 -0.275 25706 6707 1 16 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.251 -0.516 25706 6708 1 16 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.860 0.057 25706 6709 1 16 . 1 1 16 16 LEU H H 16 8.258 8.258 8.414 -0.156 25706 6710 1 16 . 1 1 17 17 ASP N N 17 119.364 119.364 118.102 1.262 25706 6711 1 16 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.223 0.020 25706 6712 1 16 . 1 1 17 17 ASP C C 17 178.534 178.534 177.630 0.904 25706 6713 1 16 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.426 0.668 25706 6714 1 16 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.812 0.643 25706 6715 1 16 . 1 1 17 17 ASP H H 17 8.299 8.299 8.167 0.132 25706 6716 1 16 . 1 1 18 18 ALA N N 18 121.057 121.057 122.019 -0.962 25706 6717 1 16 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.176 -0.051 25706 6718 1 16 . 1 1 18 18 ALA C C 18 180.942 180.942 179.488 1.454 25706 6719 1 16 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.835 0.112 25706 6720 1 16 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.513 -0.296 25706 6721 1 16 . 1 1 18 18 ALA H H 18 7.851 7.851 7.506 0.345 25706 6722 1 16 . 1 1 19 19 LEU N N 19 122.159 122.159 119.860 2.299 25706 6723 1 16 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.023 -0.048 25706 6724 1 16 . 1 1 19 19 LEU C C 19 178.447 178.447 178.839 -0.392 25706 6725 1 16 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.669 1.145 25706 6726 1 16 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.212 0.161 25706 6727 1 16 . 1 1 19 19 LEU H H 19 7.941 7.941 7.836 0.105 25706 6728 1 16 . 1 1 20 20 LEU N N 20 119.065 119.065 118.658 0.407 25706 6729 1 16 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.902 -0.192 25706 6730 1 16 . 1 1 20 20 LEU C C 20 179.763 179.763 179.045 0.718 25706 6731 1 16 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.163 0.234 25706 6732 1 16 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.489 -1.623 25706 6733 1 16 . 1 1 20 20 LEU H H 20 8.454 8.454 8.648 -0.194 25706 6734 1 16 . 1 1 21 21 SER N N 21 115.603 115.603 114.870 0.733 25706 6735 1 16 . 1 1 21 21 SER HA H 21 4.199 4.199 4.173 0.026 25706 6736 1 16 . 1 1 21 21 SER C C 21 175.002 175.002 176.258 -1.256 25706 6737 1 16 . 1 1 21 21 SER CA C 21 62.502 62.502 61.639 0.863 25706 6738 1 16 . 1 1 21 21 SER CB C 21 62.806 62.806 62.975 -0.169 25706 6739 1 16 . 1 1 21 21 SER H H 21 8.248 8.248 7.936 0.312 25706 6740 1 16 . 1 1 22 22 ALA N N 22 123.437 123.437 124.002 -0.565 25706 6741 1 16 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.138 -0.072 25706 6742 1 16 . 1 1 22 22 ALA C C 22 180.273 180.273 178.539 1.734 25706 6743 1 16 . 1 1 22 22 ALA CA C 22 55.487 55.487 55.027 0.460 25706 6744 1 16 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.432 -0.201 25706 6745 1 16 . 1 1 22 22 ALA H H 22 7.982 7.982 7.565 0.417 25706 6746 1 16 . 1 1 23 23 VAL N N 23 119.580 119.580 118.734 0.846 25706 6747 1 16 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.185 0.048 25706 6748 1 16 . 1 1 23 23 VAL C C 23 180.144 180.144 178.232 1.912 25706 6749 1 16 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.218 1.256 25706 6750 1 16 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.885 0.326 25706 6751 1 16 . 1 1 23 23 VAL H H 23 8.382 8.382 7.614 0.768 25706 6752 1 16 . 1 1 24 24 ARG N N 24 122.585 122.585 120.471 2.114 25706 6753 1 16 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.037 -0.116 25706 6754 1 16 . 1 1 24 24 ARG C C 24 177.169 177.169 177.550 -0.381 25706 6755 1 16 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.377 1.137 25706 6756 1 16 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.974 -0.079 25706 6757 1 16 . 1 1 24 24 ARG H H 24 8.589 8.589 8.508 0.081 25706 6758 1 16 . 1 1 25 25 ASP N N 25 115.538 115.538 117.615 -2.077 25706 6759 1 16 . 1 1 25 25 ASP C C 25 175.579 175.579 175.470 0.109 25706 6760 1 16 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.657 0.696 25706 6761 1 16 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.847 -0.132 25706 6762 1 16 . 1 1 25 25 ASP H H 25 8.083 8.083 7.985 0.098 25706 6763 1 16 . 1 1 26 26 ASN N N 26 113.668 113.668 115.735 -2.067 25706 6764 1 16 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.380 0.112 25706 6765 1 16 . 1 1 26 26 ASN C C 26 174.953 174.953 175.379 -0.426 25706 6766 1 16 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.479 0.744 25706 6767 1 16 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.769 -0.318 25706 6768 1 16 . 1 1 26 26 ASN H H 26 7.860 7.860 8.028 -0.168 25706 6769 1 16 . 1 1 27 27 ARG N N 27 117.078 117.078 116.118 0.960 25706 6770 1 16 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.392 -0.089 25706 6771 1 16 . 1 1 27 27 ARG C C 27 176.011 176.011 176.227 -0.216 25706 6772 1 16 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.042 1.540 25706 6773 1 16 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.138 0.236 25706 6774 1 16 . 1 1 27 27 ARG H H 27 8.700 8.700 8.375 0.325 25706 6775 1 16 . 1 1 28 28 LEU N N 28 119.538 119.538 121.551 -2.013 25706 6776 1 16 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.682 -0.056 25706 6777 1 16 . 1 1 28 28 LEU C C 28 175.563 175.563 175.520 0.043 25706 6778 1 16 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.072 0.331 25706 6779 1 16 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.670 2.050 25706 6780 1 16 . 1 1 28 28 LEU H H 28 7.101 7.101 7.657 -0.556 25706 6781 1 16 . 1 1 29 29 SER N N 29 119.714 119.714 120.794 -1.080 25706 6782 1 16 . 1 1 29 29 SER HA H 29 4.512 4.512 4.697 -0.185 25706 6783 1 16 . 1 1 29 29 SER C C 29 174.769 174.769 175.662 -0.893 25706 6784 1 16 . 1 1 29 29 SER CA C 29 56.883 56.883 57.084 -0.201 25706 6785 1 16 . 1 1 29 29 SER CB C 29 65.067 65.067 64.950 0.117 25706 6786 1 16 . 1 1 29 29 SER H H 29 8.885 8.885 8.489 0.396 25706 6787 1 16 . 1 1 30 30 ILE N N 30 121.990 121.990 124.106 -2.116 25706 6788 1 16 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.716 -0.152 25706 6789 1 16 . 1 1 30 30 ILE C C 30 177.419 177.419 178.109 -0.690 25706 6790 1 16 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.758 0.948 25706 6791 1 16 . 1 1 30 30 ILE CB C 30 37.132 37.132 36.998 0.134 25706 6792 1 16 . 1 1 30 30 ILE H H 30 8.953 8.953 8.832 0.121 25706 6793 1 16 . 1 1 31 31 GLU N N 31 117.222 117.222 118.833 -1.611 25706 6794 1 16 . 1 1 31 31 GLU HA H 31 3.863 3.863 3.959 -0.096 25706 6795 1 16 . 1 1 31 31 GLU C C 31 179.559 179.559 178.846 0.713 25706 6796 1 16 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.529 0.985 25706 6797 1 16 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.039 0.007 25706 6798 1 16 . 1 1 31 31 GLU H H 31 8.669 8.669 8.891 -0.222 25706 6799 1 16 . 1 1 32 32 GLN N N 32 118.595 118.595 118.541 0.054 25706 6800 1 16 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.131 -0.086 25706 6801 1 16 . 1 1 32 32 GLN C C 32 179.113 179.113 177.862 1.251 25706 6802 1 16 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.354 0.147 25706 6803 1 16 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.358 0.928 25706 6804 1 16 . 1 1 32 32 GLN H H 32 7.949 7.949 8.461 -0.512 25706 6805 1 16 . 1 1 33 33 ALA N N 33 123.062 123.062 122.018 1.044 25706 6806 1 16 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.210 -0.297 25706 6807 1 16 . 1 1 33 33 ALA C C 33 178.918 178.918 179.285 -0.367 25706 6808 1 16 . 1 1 33 33 ALA CA C 33 55.538 55.538 54.841 0.697 25706 6809 1 16 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.749 0.397 25706 6810 1 16 . 1 1 33 33 ALA H H 33 8.520 8.520 7.890 0.630 25706 6811 1 16 . 1 1 34 34 VAL N N 34 115.551 115.551 118.962 -3.411 25706 6812 1 16 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.565 -0.182 25706 6813 1 16 . 1 1 34 34 VAL C C 34 179.013 179.013 177.900 1.113 25706 6814 1 16 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.878 0.153 25706 6815 1 16 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.775 -0.200 25706 6816 1 16 . 1 1 34 34 VAL H H 34 8.469 8.469 8.255 0.214 25706 6817 1 16 . 1 1 35 35 THR N N 35 114.806 114.806 114.709 0.097 25706 6818 1 16 . 1 1 35 35 THR HA H 35 4.012 4.012 4.120 -0.108 25706 6819 1 16 . 1 1 35 35 THR C C 35 176.151 176.151 175.598 0.553 25706 6820 1 16 . 1 1 35 35 THR CA C 35 65.944 65.944 65.658 0.286 25706 6821 1 16 . 1 1 35 35 THR CB C 35 68.902 68.902 68.902 0.000 25706 6822 1 16 . 1 1 35 35 THR H H 35 7.598 7.598 7.914 -0.316 25706 6823 1 16 . 1 1 36 36 LEU N N 36 120.922 120.922 118.421 2.501 25706 6824 1 16 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.300 -0.117 25706 6825 1 16 . 1 1 36 36 LEU C C 36 177.940 177.940 178.007 -0.067 25706 6826 1 16 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.416 0.195 25706 6827 1 16 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.377 -0.100 25706 6828 1 16 . 1 1 36 36 LEU H H 36 7.516 7.516 7.407 0.109 25706 6829 1 16 . 1 1 37 37 LEU N N 37 118.066 118.066 117.142 0.924 25706 6830 1 16 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.205 0.132 25706 6831 1 16 . 1 1 37 37 LEU C C 37 177.013 177.013 177.639 -0.626 25706 6832 1 16 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.883 -1.006 25706 6833 1 16 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.447 0.574 25706 6834 1 16 . 1 1 37 37 LEU H H 37 7.444 7.444 7.935 -0.491 25706 6835 1 16 . 1 1 38 38 THR N N 38 116.689 116.689 116.318 0.371 25706 6836 1 16 . 1 1 38 38 THR HA H 38 4.469 4.469 4.204 0.265 25706 6837 1 16 . 1 1 38 38 THR CA C 38 61.736 61.736 62.544 -0.808 25706 6838 1 16 . 1 1 38 38 THR CB C 38 69.544 69.544 69.401 0.143 25706 6839 1 16 . 1 1 38 38 THR H H 38 7.925 7.925 7.629 0.296 25706 6840 1 16 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.576 -0.103 25706 6841 1 16 . 1 1 39 39 PRO C C 39 177.055 177.055 177.387 -0.332 25706 6842 1 16 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.303 1.202 25706 6843 1 16 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.602 -0.462 25706 6844 1 16 . 1 1 40 40 ARG N N 40 120.701 120.701 118.566 2.135 25706 6845 1 16 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.258 0.049 25706 6846 1 16 . 1 1 40 40 ARG C C 40 176.527 176.527 176.745 -0.218 25706 6847 1 16 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.573 -0.266 25706 6848 1 16 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.083 0.714 25706 6849 1 16 . 1 1 40 40 ARG H H 40 8.384 8.384 8.561 -0.177 25706 6850 1 16 . 1 1 41 41 ARG N N 41 121.467 121.467 120.961 0.506 25706 6851 1 16 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.546 -0.165 25706 6852 1 16 . 1 1 41 41 ARG C C 41 176.791 176.791 175.664 1.127 25706 6853 1 16 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.330 0.897 25706 6854 1 16 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.697 0.172 25706 6855 1 16 . 1 1 41 41 ARG H H 41 8.367 8.367 7.778 0.589 25706 6856 1 16 . 1 1 42 42 GLY N N 42 110.418 110.418 111.140 -0.722 25706 6857 1 16 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.599 0.748 25706 6858 1 16 . 1 1 42 42 GLY H H 42 8.538 8.538 8.614 -0.076 25706 6859 1 16 . 1 1 44 44 GLY C C 44 174.487 174.487 173.389 1.098 25706 6860 1 16 . 1 1 45 45 SER N N 45 115.788 115.788 117.344 -1.556 25706 6861 1 16 . 1 1 45 45 SER HA H 45 4.515 4.515 4.451 0.064 25706 6862 1 16 . 1 1 45 45 SER C C 45 175.337 175.337 175.933 -0.596 25706 6863 1 16 . 1 1 45 45 SER CA C 45 58.590 58.590 58.466 0.124 25706 6864 1 16 . 1 1 45 45 SER CB C 45 63.920 63.920 63.684 0.236 25706 6865 1 16 . 1 1 45 45 SER H H 45 8.422 8.422 8.662 -0.240 25706 6866 1 16 . 1 1 46 46 GLY N N 46 111.003 111.003 114.463 -3.460 25706 6867 1 16 . 1 1 46 46 GLY C C 46 174.837 174.837 175.560 -0.723 25706 6868 1 16 . 1 1 46 46 GLY CA C 46 45.497 45.497 45.417 0.080 25706 6869 1 16 . 1 1 46 46 GLY H H 46 8.600 8.600 8.940 -0.340 25706 6870 1 16 . 1 1 47 47 GLY N N 47 108.933 108.933 109.372 -0.439 25706 6871 1 16 . 1 1 47 47 GLY C C 47 174.864 174.864 175.130 -0.266 25706 6872 1 16 . 1 1 47 47 GLY H H 47 8.398 8.398 8.324 0.074 25706 6873 1 16 . 1 1 48 48 GLY N N 48 108.905 108.905 106.775 2.130 25706 6874 1 16 . 1 1 48 48 GLY C C 48 174.496 174.496 173.979 0.517 25706 6875 1 16 . 1 1 48 48 GLY H H 48 8.418 8.418 7.856 0.562 25706 6876 1 16 . 1 1 49 49 SER N N 49 115.575 115.575 116.013 -0.438 25706 6877 1 16 . 1 1 49 49 SER HA H 49 4.439 4.439 4.067 0.372 25706 6878 1 16 . 1 1 49 49 SER C C 49 174.539 174.539 173.437 1.102 25706 6879 1 16 . 1 1 49 49 SER CA C 49 58.826 58.826 58.674 0.152 25706 6880 1 16 . 1 1 49 49 SER CB C 49 64.100 64.100 62.172 1.928 25706 6881 1 16 . 1 1 49 49 SER H H 49 8.292 8.292 7.896 0.396 25706 6882 1 16 . 1 1 50 50 MET N N 50 121.907 121.907 124.242 -2.335 25706 6883 1 16 . 1 1 50 50 MET HA H 50 4.445 4.445 4.621 -0.176 25706 6884 1 16 . 1 1 50 50 MET C C 50 175.456 175.456 174.123 1.333 25706 6885 1 16 . 1 1 50 50 MET CA C 50 55.951 55.951 55.231 0.720 25706 6886 1 16 . 1 1 50 50 MET CB C 50 33.967 33.967 34.391 -0.424 25706 6887 1 16 . 1 1 50 50 MET H H 50 8.310 8.310 8.214 0.096 25706 6888 1 16 . 1 1 51 51 ASP N N 51 122.904 122.904 124.407 -1.503 25706 6889 1 16 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.852 -0.211 25706 6890 1 16 . 1 1 51 51 ASP C C 51 176.239 176.239 175.299 0.940 25706 6891 1 16 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.565 -0.054 25706 6892 1 16 . 1 1 51 51 ASP CB C 51 41.513 41.513 45.071 -3.558 25706 6893 1 16 . 1 1 51 51 ASP H H 51 8.506 8.506 8.598 -0.092 25706 6894 1 16 . 1 1 52 52 ALA N N 52 123.354 123.354 126.220 -2.866 25706 6895 1 16 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.000 -0.154 25706 6896 1 16 . 1 1 52 52 ALA C C 52 178.517 178.517 178.995 -0.478 25706 6897 1 16 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.275 0.323 25706 6898 1 16 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.988 -0.371 25706 6899 1 16 . 1 1 52 52 ALA H H 52 8.506 8.506 8.715 -0.209 25706 6900 1 16 . 1 1 53 53 LYS N N 53 117.034 117.034 118.062 -1.028 25706 6901 1 16 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.014 -0.416 25706 6902 1 16 . 1 1 53 53 LYS C C 53 179.171 179.171 178.833 0.338 25706 6903 1 16 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.548 0.854 25706 6904 1 16 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.125 -0.067 25706 6905 1 16 . 1 1 53 53 LYS H H 53 8.407 8.407 8.527 -0.120 25706 6906 1 16 . 1 1 54 54 GLU N N 54 123.212 123.212 119.797 3.415 25706 6907 1 16 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.142 -0.069 25706 6908 1 16 . 1 1 54 54 GLU C C 54 178.526 178.526 179.097 -0.571 25706 6909 1 16 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.069 0.675 25706 6910 1 16 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.135 0.203 25706 6911 1 16 . 1 1 54 54 GLU H H 54 8.005 8.005 8.180 -0.175 25706 6912 1 16 . 1 1 55 55 ILE N N 55 119.567 119.567 120.563 -0.996 25706 6913 1 16 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.656 -0.227 25706 6914 1 16 . 1 1 55 55 ILE C C 55 177.999 177.999 177.778 0.221 25706 6915 1 16 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.966 -0.354 25706 6916 1 16 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.944 0.767 25706 6917 1 16 . 1 1 55 55 ILE H H 55 8.088 8.088 8.563 -0.475 25706 6918 1 16 . 1 1 56 56 LEU N N 56 116.646 116.646 120.113 -3.467 25706 6919 1 16 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.169 -0.165 25706 6920 1 16 . 1 1 56 56 LEU C C 56 178.636 178.636 179.464 -0.828 25706 6921 1 16 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.045 0.019 25706 6922 1 16 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.551 2.393 25706 6923 1 16 . 1 1 56 56 LEU H H 56 8.477 8.477 8.445 0.032 25706 6924 1 16 . 1 1 57 57 THR N N 57 117.148 117.148 116.403 0.745 25706 6925 1 16 . 1 1 57 57 THR HA H 57 3.833 3.833 3.951 -0.118 25706 6926 1 16 . 1 1 57 57 THR C C 57 175.836 175.836 176.894 -1.058 25706 6927 1 16 . 1 1 57 57 THR CA C 57 67.615 67.615 67.393 0.222 25706 6928 1 16 . 1 1 57 57 THR CB C 57 68.860 68.860 68.610 0.250 25706 6929 1 16 . 1 1 57 57 THR H H 57 8.260 8.260 8.547 -0.287 25706 6930 1 16 . 1 1 58 58 ARG N N 58 120.818 120.818 121.500 -0.682 25706 6931 1 16 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.055 0.193 25706 6932 1 16 . 1 1 58 58 ARG C C 58 179.476 179.476 178.231 1.245 25706 6933 1 16 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.687 -0.412 25706 6934 1 16 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.170 0.378 25706 6935 1 16 . 1 1 58 58 ARG H H 58 8.202 8.202 8.287 -0.085 25706 6936 1 16 . 1 1 59 59 PHE N N 59 119.668 119.668 121.568 -1.900 25706 6937 1 16 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.472 0.276 25706 6938 1 16 . 1 1 59 59 PHE C C 59 178.260 178.260 177.261 0.999 25706 6939 1 16 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.525 -0.248 25706 6940 1 16 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.261 -0.041 25706 6941 1 16 . 1 1 59 59 PHE H H 59 8.615 8.615 8.446 0.169 25706 6942 1 16 . 1 1 60 60 LYS N N 60 123.687 123.687 118.931 4.756 25706 6943 1 16 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.647 -0.160 25706 6944 1 16 . 1 1 60 60 LYS C C 60 177.801 177.801 178.280 -0.479 25706 6945 1 16 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.332 0.493 25706 6946 1 16 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.386 0.030 25706 6947 1 16 . 1 1 60 60 LYS H H 60 8.800 8.800 8.380 0.420 25706 6948 1 16 . 1 1 61 61 ASP N N 61 116.083 116.083 117.341 -1.258 25706 6949 1 16 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.448 0.145 25706 6950 1 16 . 1 1 61 61 ASP C C 61 177.052 177.052 176.871 0.181 25706 6951 1 16 . 1 1 61 61 ASP CA C 61 54.919 54.919 55.016 -0.097 25706 6952 1 16 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.105 -0.099 25706 6953 1 16 . 1 1 61 61 ASP H H 61 8.107 8.107 7.875 0.232 25706 6954 1 16 . 1 1 62 62 GLY N N 62 107.294 107.294 105.951 1.343 25706 6955 1 16 . 1 1 62 62 GLY C C 62 175.018 175.018 175.693 -0.675 25706 6956 1 16 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.063 0.322 25706 6957 1 16 . 1 1 62 62 GLY H H 62 7.625 7.625 7.494 0.131 25706 6958 1 16 . 1 1 63 63 GLY N N 63 109.718 109.718 108.147 1.571 25706 6959 1 16 . 1 1 63 63 GLY C C 63 173.393 173.393 174.215 -0.822 25706 6960 1 16 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.909 0.828 25706 6961 1 16 . 1 1 63 63 GLY H H 63 8.687 8.687 8.188 0.499 25706 6962 1 16 . 1 1 64 64 LEU N N 64 119.332 119.332 120.783 -1.451 25706 6963 1 16 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.695 0.023 25706 6964 1 16 . 1 1 64 64 LEU C C 64 175.357 175.357 175.494 -0.137 25706 6965 1 16 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.327 -0.390 25706 6966 1 16 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.453 1.624 25706 6967 1 16 . 1 1 64 64 LEU H H 64 7.034 7.034 7.292 -0.258 25706 6968 1 16 . 1 1 65 65 ASP N N 65 121.569 121.569 124.827 -3.258 25706 6969 1 16 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.860 -0.067 25706 6970 1 16 . 1 1 65 65 ASP C C 65 175.652 175.652 177.024 -1.372 25706 6971 1 16 . 1 1 65 65 ASP CA C 65 52.877 52.877 53.511 -0.634 25706 6972 1 16 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.846 -1.028 25706 6973 1 16 . 1 1 65 65 ASP H H 65 8.287 8.287 8.734 -0.447 25706 6974 1 16 . 1 1 66 66 ARG N N 66 120.199 120.199 123.164 -2.965 25706 6975 1 16 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.963 -0.208 25706 6976 1 16 . 1 1 66 66 ARG C C 66 177.271 177.271 177.793 -0.522 25706 6977 1 16 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.742 0.822 25706 6978 1 16 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.228 0.621 25706 6979 1 16 . 1 1 66 66 ARG H H 66 8.860 8.860 8.834 0.026 25706 6980 1 16 . 1 1 67 67 ALA N N 67 120.212 120.212 121.010 -0.798 25706 6981 1 16 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.201 -0.117 25706 6982 1 16 . 1 1 67 67 ALA C C 67 181.015 181.015 179.611 1.404 25706 6983 1 16 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.848 0.328 25706 6984 1 16 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.003 -0.162 25706 6985 1 16 . 1 1 67 67 ALA H H 67 8.339 8.339 8.570 -0.231 25706 6986 1 16 . 1 1 68 68 ALA N N 68 122.433 122.433 121.745 0.688 25706 6987 1 16 . 1 1 68 68 ALA HA H 68 4.155 4.155 3.976 0.179 25706 6988 1 16 . 1 1 68 68 ALA C C 68 180.071 180.071 179.312 0.759 25706 6989 1 16 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.809 0.142 25706 6990 1 16 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.313 0.934 25706 6991 1 16 . 1 1 68 68 ALA H H 68 8.184 8.184 8.347 -0.163 25706 6992 1 16 . 1 1 69 69 ALA N N 69 119.845 119.845 121.251 -1.406 25706 6993 1 16 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.876 -0.044 25706 6994 1 16 . 1 1 69 69 ALA C C 69 178.826 178.826 179.734 -0.908 25706 6995 1 16 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.089 0.441 25706 6996 1 16 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.901 0.076 25706 6997 1 16 . 1 1 69 69 ALA H H 69 8.511 8.511 8.359 0.152 25706 6998 1 16 . 1 1 70 70 GLN N N 70 116.137 116.137 118.359 -2.222 25706 6999 1 16 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.850 -0.250 25706 7000 1 16 . 1 1 70 70 GLN C C 70 177.832 177.832 178.503 -0.671 25706 7001 1 16 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.771 1.279 25706 7002 1 16 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.634 -0.459 25706 7003 1 16 . 1 1 70 70 GLN H H 70 8.528 8.528 8.216 0.312 25706 7004 1 16 . 1 1 71 71 ALA N N 71 120.118 120.118 123.180 -3.062 25706 7005 1 16 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.035 0.028 25706 7006 1 16 . 1 1 71 71 ALA C C 71 180.495 180.495 179.771 0.724 25706 7007 1 16 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.168 0.010 25706 7008 1 16 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.381 -0.485 25706 7009 1 16 . 1 1 71 71 ALA H H 71 7.625 7.625 7.842 -0.217 25706 7010 1 16 . 1 1 72 72 LEU N N 72 117.959 117.959 118.437 -0.478 25706 7011 1 16 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.098 0.075 25706 7012 1 16 . 1 1 72 72 LEU C C 72 180.674 180.674 179.454 1.220 25706 7013 1 16 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.544 0.010 25706 7014 1 16 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.542 1.225 25706 7015 1 16 . 1 1 72 72 LEU H H 72 8.068 8.068 7.865 0.203 25706 7016 1 16 . 1 1 73 73 LEU N N 73 119.237 119.237 118.731 0.506 25706 7017 1 16 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.017 0.097 25706 7018 1 16 . 1 1 73 73 LEU C C 73 177.691 177.691 177.965 -0.274 25706 7019 1 16 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.183 -0.459 25706 7020 1 16 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.788 0.801 25706 7021 1 16 . 1 1 73 73 LEU H H 73 8.251 8.251 8.015 0.236 25706 7022 1 16 . 1 1 74 74 ALA N N 74 120.421 120.421 117.837 2.584 25706 7023 1 16 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.242 0.046 25706 7024 1 16 . 1 1 74 74 ALA C C 74 178.222 178.222 177.897 0.325 25706 7025 1 16 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.387 0.474 25706 7026 1 16 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.462 -0.264 25706 7027 1 16 . 1 1 74 74 ALA H H 74 7.765 7.765 7.763 0.002 25706 7028 1 16 . 1 1 75 75 GLY N N 75 106.485 106.485 105.737 0.748 25706 7029 1 16 . 1 1 75 75 GLY C C 75 174.299 174.299 174.273 0.026 25706 7030 1 16 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.164 0.623 25706 7031 1 16 . 1 1 75 75 GLY H H 75 7.895 7.895 7.504 0.391 25706 7032 1 16 . 1 1 76 76 ARG N N 76 119.703 119.703 119.390 0.313 25706 7033 1 16 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.636 -0.134 25706 7034 1 16 . 1 1 76 76 ARG C C 76 175.750 175.750 174.678 1.072 25706 7035 1 16 . 1 1 76 76 ARG CA C 76 55.407 55.407 54.189 1.218 25706 7036 1 16 . 1 1 76 76 ARG CB C 76 31.303 31.303 33.220 -1.917 25706 7037 1 16 . 1 1 76 76 ARG H H 76 8.110 8.110 7.802 0.308 25706 7038 1 16 . 1 1 77 77 THR N N 77 116.771 116.771 115.787 0.984 25706 7039 1 16 . 1 1 77 77 THR HA H 77 4.582 4.582 4.449 0.133 25706 7040 1 16 . 1 1 77 77 THR CA C 77 59.920 59.920 60.378 -0.458 25706 7041 1 16 . 1 1 77 77 THR CB C 77 69.810 69.810 68.910 0.900 25706 7042 1 16 . 1 1 77 77 THR H H 77 8.181 8.181 8.386 -0.205 25706 7043 1 16 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.400 -0.032 25706 7044 1 16 . 1 1 78 78 PRO C C 78 176.366 176.366 175.795 0.571 25706 7045 1 16 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.680 0.474 25706 7046 1 16 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.121 -0.013 25706 7047 1 16 . 1 1 79 79 ALA N N 79 124.715 124.715 121.668 3.047 25706 7048 1 16 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.878 -0.632 25706 7049 1 16 . 1 1 79 79 ALA C C 79 177.314 177.314 176.988 0.326 25706 7050 1 16 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.782 0.616 25706 7051 1 16 . 1 1 79 79 ALA CB C 79 19.306 19.306 21.000 -1.694 25706 7052 1 16 . 1 1 79 79 ALA H H 79 8.417 8.417 8.405 0.012 25706 7053 1 16 . 1 1 80 80 ALA N N 80 123.467 123.467 122.586 0.881 25706 7054 1 16 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.747 -0.457 25706 7055 1 16 . 1 1 80 80 ALA C C 80 177.000 177.000 177.982 -0.982 25706 7056 1 16 . 1 1 80 80 ALA CA C 80 52.010 52.010 53.524 -1.514 25706 7057 1 16 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.026 0.421 25706 7058 1 16 . 1 1 80 80 ALA H H 80 8.232 8.232 8.874 -0.642 25706 7059 1 16 . 1 1 81 81 ALA N N 81 125.029 125.029 122.392 2.637 25706 7060 1 16 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.544 0.018 25706 7061 1 16 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.943 -0.512 25706 7062 1 16 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.910 0.570 25706 7063 1 16 . 1 1 81 81 ALA H H 81 8.250 8.250 7.660 0.590 25706 7064 1 16 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.531 -0.119 25706 7065 1 16 . 1 1 82 82 PRO C C 82 176.531 176.531 175.895 0.636 25706 7066 1 16 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.047 -0.049 25706 7067 1 16 . 1 1 82 82 PRO CB C 82 32.083 32.083 32.234 -0.151 25706 7068 1 16 . 1 1 83 83 ARG N N 83 122.956 122.956 121.515 1.441 25706 7069 1 16 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.663 -0.052 25706 7070 1 16 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.809 -0.031 25706 7071 1 16 . 1 1 83 83 ARG CB C 83 30.242 30.242 31.157 -0.915 25706 7072 1 16 . 1 1 83 83 ARG H H 83 8.384 8.384 7.955 0.429 25706 7073 1 17 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.465 0.007 25706 7074 1 17 . 1 1 2 2 PRO C C 2 177.459 177.459 177.564 -0.105 25706 7075 1 17 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.955 0.620 25706 7076 1 17 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.289 -0.143 25706 7077 1 17 . 1 1 3 3 GLY N N 3 109.882 109.882 112.174 -2.292 25706 7078 1 17 . 1 1 3 3 GLY C C 3 174.103 174.103 175.607 -1.504 25706 7079 1 17 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.765 -0.493 25706 7080 1 17 . 1 1 3 3 GLY H H 3 8.645 8.645 8.589 0.056 25706 7081 1 17 . 1 1 4 4 SER N N 4 115.534 115.534 114.436 1.098 25706 7082 1 17 . 1 1 4 4 SER HA H 4 4.438 4.438 4.359 0.079 25706 7083 1 17 . 1 1 4 4 SER C C 4 174.137 174.137 175.246 -1.109 25706 7084 1 17 . 1 1 4 4 SER CA C 4 58.319 58.319 58.414 -0.095 25706 7085 1 17 . 1 1 4 4 SER CB C 4 63.864 63.864 63.720 0.144 25706 7086 1 17 . 1 1 4 4 SER H H 4 8.127 8.127 8.308 -0.181 25706 7087 1 17 . 1 1 5 5 TYR N N 5 122.533 122.533 124.542 -2.009 25706 7088 1 17 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.443 0.227 25706 7089 1 17 . 1 1 5 5 TYR C C 5 176.109 176.109 174.813 1.296 25706 7090 1 17 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.755 -0.640 25706 7091 1 17 . 1 1 5 5 TYR CB C 5 38.855 38.855 38.995 -0.140 25706 7092 1 17 . 1 1 5 5 TYR H H 5 8.349 8.349 7.894 0.455 25706 7093 1 17 . 1 1 6 6 THR N N 6 116.290 116.290 118.290 -2.000 25706 7094 1 17 . 1 1 6 6 THR HA H 6 4.305 4.305 4.176 0.129 25706 7095 1 17 . 1 1 6 6 THR C C 6 174.899 174.899 172.180 2.719 25706 7096 1 17 . 1 1 6 6 THR CA C 6 61.743 61.743 60.810 0.933 25706 7097 1 17 . 1 1 6 6 THR CB C 6 69.859 69.859 71.650 -1.790 25706 7098 1 17 . 1 1 6 6 THR H H 6 8.177 8.177 7.276 0.901 25706 7099 1 17 . 1 1 7 7 GLY N N 7 110.576 110.576 108.945 1.631 25706 7100 1 17 . 1 1 7 7 GLY C C 7 173.596 173.596 173.382 0.214 25706 7101 1 17 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.751 -0.404 25706 7102 1 17 . 1 1 7 7 GLY H H 7 7.646 7.646 7.824 -0.178 25706 7103 1 17 . 1 1 8 8 ALA N N 8 123.499 123.499 123.321 0.178 25706 7104 1 17 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.010 0.345 25706 7105 1 17 . 1 1 8 8 ALA C C 8 178.119 178.119 177.955 0.164 25706 7106 1 17 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.206 0.341 25706 7107 1 17 . 1 1 8 8 ALA CB C 8 19.387 19.387 18.247 1.140 25706 7108 1 17 . 1 1 8 8 ALA H H 8 8.171 8.171 8.497 -0.326 25706 7109 1 17 . 1 1 9 9 GLY N N 9 108.467 108.467 105.883 2.584 25706 7110 1 17 . 1 1 9 9 GLY C C 9 173.664 173.664 172.710 0.954 25706 7111 1 17 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.630 0.499 25706 7112 1 17 . 1 1 9 9 GLY H H 9 8.398 8.398 8.117 0.281 25706 7113 1 17 . 1 1 10 10 GLU N N 10 121.535 121.535 120.146 1.389 25706 7114 1 17 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.582 0.016 25706 7115 1 17 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.017 0.235 25706 7116 1 17 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.945 -0.986 25706 7117 1 17 . 1 1 10 10 GLU H H 10 8.230 8.230 8.398 -0.168 25706 7118 1 17 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.460 -0.006 25706 7119 1 17 . 1 1 11 11 PRO C C 11 176.799 176.799 175.494 1.305 25706 7120 1 17 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.114 0.188 25706 7121 1 17 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.329 -0.305 25706 7122 1 17 . 1 1 12 12 SER N N 12 117.122 117.122 116.773 0.349 25706 7123 1 17 . 1 1 12 12 SER HA H 12 4.469 4.469 4.738 -0.269 25706 7124 1 17 . 1 1 12 12 SER C C 12 174.904 174.904 175.392 -0.488 25706 7125 1 17 . 1 1 12 12 SER CA C 12 57.876 57.876 56.522 1.354 25706 7126 1 17 . 1 1 12 12 SER CB C 12 64.624 64.624 66.121 -1.497 25706 7127 1 17 . 1 1 12 12 SER H H 12 8.721 8.721 8.166 0.555 25706 7128 1 17 . 1 1 13 13 GLN N N 13 121.678 121.678 123.009 -1.331 25706 7129 1 17 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.065 0.055 25706 7130 1 17 . 1 1 13 13 GLN C C 13 178.113 178.113 177.278 0.835 25706 7131 1 17 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.537 -0.680 25706 7132 1 17 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.121 0.621 25706 7133 1 17 . 1 1 13 13 GLN H H 13 8.660 8.660 9.068 -0.408 25706 7134 1 17 . 1 1 14 14 ALA N N 14 122.557 122.557 122.385 0.172 25706 7135 1 17 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.130 0.078 25706 7136 1 17 . 1 1 14 14 ALA C C 14 179.168 179.168 179.368 -0.200 25706 7137 1 17 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.606 -0.543 25706 7138 1 17 . 1 1 14 14 ALA CB C 14 18.974 18.974 17.998 0.976 25706 7139 1 17 . 1 1 14 14 ALA H H 14 8.251 8.251 8.197 0.054 25706 7140 1 17 . 1 1 15 15 ASP N N 15 120.191 120.191 119.555 0.636 25706 7141 1 17 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.478 0.017 25706 7142 1 17 . 1 1 15 15 ASP C C 15 178.121 178.121 178.376 -0.255 25706 7143 1 17 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.699 -1.196 25706 7144 1 17 . 1 1 15 15 ASP CB C 15 40.585 40.585 41.121 -0.536 25706 7145 1 17 . 1 1 15 15 ASP H H 15 8.049 8.049 7.750 0.299 25706 7146 1 17 . 1 1 16 16 LEU N N 16 122.661 122.661 120.059 2.602 25706 7147 1 17 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.887 0.116 25706 7148 1 17 . 1 1 16 16 LEU C C 16 178.320 178.320 178.476 -0.156 25706 7149 1 17 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.084 -0.349 25706 7150 1 17 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.904 0.014 25706 7151 1 17 . 1 1 16 16 LEU H H 16 8.258 8.258 8.242 0.016 25706 7152 1 17 . 1 1 17 17 ASP N N 17 119.364 119.364 118.667 0.697 25706 7153 1 17 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.222 0.021 25706 7154 1 17 . 1 1 17 17 ASP C C 17 178.534 178.534 177.744 0.790 25706 7155 1 17 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.474 0.620 25706 7156 1 17 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.838 0.617 25706 7157 1 17 . 1 1 17 17 ASP H H 17 8.299 8.299 8.080 0.219 25706 7158 1 17 . 1 1 18 18 ALA N N 18 121.057 121.057 121.901 -0.844 25706 7159 1 17 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.146 -0.021 25706 7160 1 17 . 1 1 18 18 ALA C C 18 180.942 180.942 179.673 1.269 25706 7161 1 17 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.936 0.011 25706 7162 1 17 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.495 -0.278 25706 7163 1 17 . 1 1 18 18 ALA H H 18 7.851 7.851 7.396 0.455 25706 7164 1 17 . 1 1 19 19 LEU N N 19 122.159 122.159 120.045 2.114 25706 7165 1 17 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.048 -0.073 25706 7166 1 17 . 1 1 19 19 LEU C C 19 178.447 178.447 178.683 -0.236 25706 7167 1 17 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.830 0.984 25706 7168 1 17 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.178 0.195 25706 7169 1 17 . 1 1 19 19 LEU H H 19 7.941 7.941 7.577 0.364 25706 7170 1 17 . 1 1 20 20 LEU N N 20 119.065 119.065 118.581 0.484 25706 7171 1 17 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.844 -0.134 25706 7172 1 17 . 1 1 20 20 LEU C C 20 179.763 179.763 179.119 0.644 25706 7173 1 17 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.407 -0.010 25706 7174 1 17 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.303 -1.437 25706 7175 1 17 . 1 1 20 20 LEU H H 20 8.454 8.454 8.571 -0.117 25706 7176 1 17 . 1 1 21 21 SER N N 21 115.603 115.603 114.928 0.675 25706 7177 1 17 . 1 1 21 21 SER HA H 21 4.199 4.199 4.196 0.003 25706 7178 1 17 . 1 1 21 21 SER C C 21 175.002 175.002 176.392 -1.390 25706 7179 1 17 . 1 1 21 21 SER CA C 21 62.502 62.502 61.652 0.850 25706 7180 1 17 . 1 1 21 21 SER CB C 21 62.806 62.806 62.956 -0.150 25706 7181 1 17 . 1 1 21 21 SER H H 21 8.248 8.248 8.161 0.087 25706 7182 1 17 . 1 1 22 22 ALA N N 22 123.437 123.437 123.886 -0.449 25706 7183 1 17 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.176 -0.110 25706 7184 1 17 . 1 1 22 22 ALA C C 22 180.273 180.273 178.621 1.652 25706 7185 1 17 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.708 0.779 25706 7186 1 17 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.446 -0.215 25706 7187 1 17 . 1 1 22 22 ALA H H 22 7.982 7.982 7.404 0.578 25706 7188 1 17 . 1 1 23 23 VAL N N 23 119.580 119.580 118.990 0.590 25706 7189 1 17 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.188 0.045 25706 7190 1 17 . 1 1 23 23 VAL C C 23 180.144 180.144 178.335 1.809 25706 7191 1 17 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.305 1.169 25706 7192 1 17 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.908 0.303 25706 7193 1 17 . 1 1 23 23 VAL H H 23 8.382 8.382 7.674 0.708 25706 7194 1 17 . 1 1 24 24 ARG N N 24 122.585 122.585 121.060 1.525 25706 7195 1 17 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.055 -0.134 25706 7196 1 17 . 1 1 24 24 ARG C C 24 177.169 177.169 177.494 -0.325 25706 7197 1 17 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.326 1.188 25706 7198 1 17 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.062 -0.167 25706 7199 1 17 . 1 1 24 24 ARG H H 24 8.589 8.589 8.545 0.044 25706 7200 1 17 . 1 1 25 25 ASP N N 25 115.538 115.538 117.032 -1.494 25706 7201 1 17 . 1 1 25 25 ASP C C 25 175.579 175.579 175.395 0.184 25706 7202 1 17 . 1 1 25 25 ASP CA C 25 54.353 54.353 52.743 1.610 25706 7203 1 17 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.703 0.012 25706 7204 1 17 . 1 1 25 25 ASP H H 25 8.083 8.083 7.846 0.237 25706 7205 1 17 . 1 1 26 26 ASN N N 26 113.668 113.668 115.849 -2.181 25706 7206 1 17 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.439 0.053 25706 7207 1 17 . 1 1 26 26 ASN C C 26 174.953 174.953 175.510 -0.557 25706 7208 1 17 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.533 0.690 25706 7209 1 17 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.845 -0.394 25706 7210 1 17 . 1 1 26 26 ASN H H 26 7.860 7.860 7.990 -0.130 25706 7211 1 17 . 1 1 27 27 ARG N N 27 117.078 117.078 115.714 1.364 25706 7212 1 17 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.420 -0.117 25706 7213 1 17 . 1 1 27 27 ARG C C 27 176.011 176.011 176.336 -0.325 25706 7214 1 17 . 1 1 27 27 ARG CA C 27 57.582 57.582 55.910 1.672 25706 7215 1 17 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.163 0.211 25706 7216 1 17 . 1 1 27 27 ARG H H 27 8.700 8.700 8.495 0.205 25706 7217 1 17 . 1 1 28 28 LEU N N 28 119.538 119.538 121.446 -1.908 25706 7218 1 17 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.636 -0.010 25706 7219 1 17 . 1 1 28 28 LEU C C 28 175.563 175.563 175.539 0.024 25706 7220 1 17 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.951 0.452 25706 7221 1 17 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.746 1.974 25706 7222 1 17 . 1 1 28 28 LEU H H 28 7.101 7.101 7.650 -0.549 25706 7223 1 17 . 1 1 29 29 SER N N 29 119.714 119.714 120.864 -1.150 25706 7224 1 17 . 1 1 29 29 SER HA H 29 4.512 4.512 4.726 -0.214 25706 7225 1 17 . 1 1 29 29 SER C C 29 174.769 174.769 175.826 -1.057 25706 7226 1 17 . 1 1 29 29 SER CA C 29 56.883 56.883 57.242 -0.359 25706 7227 1 17 . 1 1 29 29 SER CB C 29 65.067 65.067 64.967 0.100 25706 7228 1 17 . 1 1 29 29 SER H H 29 8.885 8.885 8.584 0.301 25706 7229 1 17 . 1 1 30 30 ILE N N 30 121.990 121.990 123.751 -1.761 25706 7230 1 17 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.742 -0.178 25706 7231 1 17 . 1 1 30 30 ILE C C 30 177.419 177.419 177.698 -0.279 25706 7232 1 17 . 1 1 30 30 ILE CA C 30 65.706 65.706 65.114 0.592 25706 7233 1 17 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.124 0.008 25706 7234 1 17 . 1 1 30 30 ILE H H 30 8.953 8.953 8.853 0.100 25706 7235 1 17 . 1 1 31 31 GLU N N 31 117.222 117.222 118.025 -0.803 25706 7236 1 17 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.005 -0.142 25706 7237 1 17 . 1 1 31 31 GLU C C 31 179.559 179.559 178.686 0.873 25706 7238 1 17 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.246 1.268 25706 7239 1 17 . 1 1 31 31 GLU CB C 31 29.046 29.046 28.558 0.488 25706 7240 1 17 . 1 1 31 31 GLU H H 31 8.669 8.669 8.934 -0.265 25706 7241 1 17 . 1 1 32 32 GLN N N 32 118.595 118.595 119.706 -1.111 25706 7242 1 17 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.152 -0.107 25706 7243 1 17 . 1 1 32 32 GLN C C 32 179.113 179.113 178.257 0.856 25706 7244 1 17 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.630 -0.130 25706 7245 1 17 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.366 0.920 25706 7246 1 17 . 1 1 32 32 GLN H H 32 7.949 7.949 8.254 -0.305 25706 7247 1 17 . 1 1 33 33 ALA N N 33 123.062 123.062 122.237 0.825 25706 7248 1 17 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.125 -0.211 25706 7249 1 17 . 1 1 33 33 ALA C C 33 178.918 178.918 179.841 -0.923 25706 7250 1 17 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.064 0.474 25706 7251 1 17 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.258 0.888 25706 7252 1 17 . 1 1 33 33 ALA H H 33 8.520 8.520 8.400 0.120 25706 7253 1 17 . 1 1 34 34 VAL N N 34 115.551 115.551 118.888 -3.337 25706 7254 1 17 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.771 -0.388 25706 7255 1 17 . 1 1 34 34 VAL C C 34 179.013 179.013 178.031 0.982 25706 7256 1 17 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.550 0.481 25706 7257 1 17 . 1 1 34 34 VAL CB C 34 31.575 31.575 30.953 0.622 25706 7258 1 17 . 1 1 34 34 VAL H H 34 8.469 8.469 7.562 0.907 25706 7259 1 17 . 1 1 35 35 THR N N 35 114.806 114.806 115.766 -0.960 25706 7260 1 17 . 1 1 35 35 THR HA H 35 4.012 4.012 4.081 -0.069 25706 7261 1 17 . 1 1 35 35 THR C C 35 176.151 176.151 176.896 -0.745 25706 7262 1 17 . 1 1 35 35 THR CA C 35 65.944 65.944 66.164 -0.220 25706 7263 1 17 . 1 1 35 35 THR CB C 35 68.902 68.902 68.831 0.071 25706 7264 1 17 . 1 1 35 35 THR H H 35 7.598 7.598 7.836 -0.238 25706 7265 1 17 . 1 1 36 36 LEU N N 36 120.922 120.922 119.740 1.182 25706 7266 1 17 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.177 0.006 25706 7267 1 17 . 1 1 36 36 LEU C C 36 177.940 177.940 178.368 -0.428 25706 7268 1 17 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.392 0.218 25706 7269 1 17 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.008 0.269 25706 7270 1 17 . 1 1 36 36 LEU H H 36 7.516 7.516 7.971 -0.455 25706 7271 1 17 . 1 1 37 37 LEU N N 37 118.066 118.066 118.282 -0.216 25706 7272 1 17 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.263 0.074 25706 7273 1 17 . 1 1 37 37 LEU C C 37 177.013 177.013 176.872 0.141 25706 7274 1 17 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.899 -2.022 25706 7275 1 17 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.198 -0.177 25706 7276 1 17 . 1 1 37 37 LEU H H 37 7.444 7.444 7.224 0.220 25706 7277 1 17 . 1 1 38 38 THR N N 38 116.689 116.689 113.065 3.624 25706 7278 1 17 . 1 1 38 38 THR HA H 38 4.469 4.469 4.661 -0.192 25706 7279 1 17 . 1 1 38 38 THR CA C 38 61.736 61.736 60.791 0.945 25706 7280 1 17 . 1 1 38 38 THR CB C 38 69.544 69.544 70.865 -1.321 25706 7281 1 17 . 1 1 38 38 THR H H 38 7.925 7.925 8.279 -0.354 25706 7282 1 17 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.447 0.026 25706 7283 1 17 . 1 1 39 39 PRO C C 39 177.055 177.055 176.033 1.022 25706 7284 1 17 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.945 0.560 25706 7285 1 17 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.306 -0.166 25706 7286 1 17 . 1 1 40 40 ARG N N 40 120.701 120.701 123.342 -2.641 25706 7287 1 17 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.513 -0.206 25706 7288 1 17 . 1 1 40 40 ARG C C 40 176.527 176.527 176.369 0.158 25706 7289 1 17 . 1 1 40 40 ARG CA C 40 56.307 56.307 55.301 1.006 25706 7290 1 17 . 1 1 40 40 ARG CB C 40 30.797 30.797 32.101 -1.304 25706 7291 1 17 . 1 1 40 40 ARG H H 40 8.384 8.384 8.270 0.114 25706 7292 1 17 . 1 1 41 41 ARG N N 41 121.467 121.467 123.482 -2.015 25706 7293 1 17 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.403 -0.022 25706 7294 1 17 . 1 1 41 41 ARG C C 41 176.791 176.791 177.699 -0.908 25706 7295 1 17 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.511 -0.284 25706 7296 1 17 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.497 0.372 25706 7297 1 17 . 1 1 41 41 ARG H H 41 8.367 8.367 8.645 -0.278 25706 7298 1 17 . 1 1 42 42 GLY N N 42 110.418 110.418 108.105 2.313 25706 7299 1 17 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.550 0.797 25706 7300 1 17 . 1 1 42 42 GLY H H 42 8.538 8.538 8.248 0.290 25706 7301 1 17 . 1 1 44 44 GLY C C 44 174.487 174.487 174.641 -0.154 25706 7302 1 17 . 1 1 45 45 SER N N 45 115.788 115.788 118.072 -2.284 25706 7303 1 17 . 1 1 45 45 SER HA H 45 4.515 4.515 4.251 0.264 25706 7304 1 17 . 1 1 45 45 SER C C 45 175.337 175.337 176.355 -1.018 25706 7305 1 17 . 1 1 45 45 SER CA C 45 58.590 58.590 59.968 -1.378 25706 7306 1 17 . 1 1 45 45 SER CB C 45 63.920 63.920 63.010 0.910 25706 7307 1 17 . 1 1 45 45 SER H H 45 8.422 8.422 8.506 -0.084 25706 7308 1 17 . 1 1 46 46 GLY N N 46 111.003 111.003 113.900 -2.897 25706 7309 1 17 . 1 1 46 46 GLY C C 46 174.837 174.837 174.829 0.008 25706 7310 1 17 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.863 0.634 25706 7311 1 17 . 1 1 46 46 GLY H H 46 8.600 8.600 8.850 -0.250 25706 7312 1 17 . 1 1 47 47 GLY N N 47 108.933 108.933 109.906 -0.973 25706 7313 1 17 . 1 1 47 47 GLY C C 47 174.864 174.864 174.701 0.163 25706 7314 1 17 . 1 1 47 47 GLY H H 47 8.398 8.398 7.624 0.774 25706 7315 1 17 . 1 1 48 48 GLY N N 48 108.905 108.905 106.562 2.343 25706 7316 1 17 . 1 1 48 48 GLY C C 48 174.496 174.496 174.596 -0.100 25706 7317 1 17 . 1 1 48 48 GLY H H 48 8.418 8.418 7.989 0.429 25706 7318 1 17 . 1 1 49 49 SER N N 49 115.575 115.575 115.103 0.472 25706 7319 1 17 . 1 1 49 49 SER HA H 49 4.439 4.439 4.322 0.117 25706 7320 1 17 . 1 1 49 49 SER C C 49 174.539 174.539 174.564 -0.025 25706 7321 1 17 . 1 1 49 49 SER CA C 49 58.826 58.826 58.560 0.266 25706 7322 1 17 . 1 1 49 49 SER CB C 49 64.100 64.100 63.973 0.127 25706 7323 1 17 . 1 1 49 49 SER H H 49 8.292 8.292 8.166 0.126 25706 7324 1 17 . 1 1 50 50 MET N N 50 121.907 121.907 118.680 3.227 25706 7325 1 17 . 1 1 50 50 MET HA H 50 4.445 4.445 4.098 0.347 25706 7326 1 17 . 1 1 50 50 MET C C 50 175.456 175.456 175.183 0.273 25706 7327 1 17 . 1 1 50 50 MET CA C 50 55.951 55.951 55.840 0.111 25706 7328 1 17 . 1 1 50 50 MET CB C 50 33.967 33.967 30.616 3.351 25706 7329 1 17 . 1 1 50 50 MET H H 50 8.310 8.310 8.682 -0.372 25706 7330 1 17 . 1 1 51 51 ASP N N 51 122.904 122.904 120.046 2.858 25706 7331 1 17 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.647 -0.006 25706 7332 1 17 . 1 1 51 51 ASP C C 51 176.239 176.239 177.200 -0.961 25706 7333 1 17 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.771 -0.260 25706 7334 1 17 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.453 -1.940 25706 7335 1 17 . 1 1 51 51 ASP H H 51 8.506 8.506 7.902 0.604 25706 7336 1 17 . 1 1 52 52 ALA N N 52 123.354 123.354 127.622 -4.268 25706 7337 1 17 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.962 -0.116 25706 7338 1 17 . 1 1 52 52 ALA C C 52 178.517 178.517 179.266 -0.749 25706 7339 1 17 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.135 0.463 25706 7340 1 17 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.706 -0.089 25706 7341 1 17 . 1 1 52 52 ALA H H 52 8.506 8.506 8.663 -0.157 25706 7342 1 17 . 1 1 53 53 LYS N N 53 117.034 117.034 117.984 -0.950 25706 7343 1 17 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.026 -0.428 25706 7344 1 17 . 1 1 53 53 LYS C C 53 179.171 179.171 178.728 0.443 25706 7345 1 17 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.561 0.841 25706 7346 1 17 . 1 1 53 53 LYS CB C 53 32.058 32.058 32.154 -0.096 25706 7347 1 17 . 1 1 53 53 LYS H H 53 8.407 8.407 8.318 0.089 25706 7348 1 17 . 1 1 54 54 GLU N N 54 123.212 123.212 119.948 3.264 25706 7349 1 17 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.124 -0.051 25706 7350 1 17 . 1 1 54 54 GLU C C 54 178.526 178.526 179.018 -0.492 25706 7351 1 17 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.023 0.721 25706 7352 1 17 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.055 0.283 25706 7353 1 17 . 1 1 54 54 GLU H H 54 8.005 8.005 8.091 -0.086 25706 7354 1 17 . 1 1 55 55 ILE N N 55 119.567 119.567 120.807 -1.240 25706 7355 1 17 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.732 -0.303 25706 7356 1 17 . 1 1 55 55 ILE C C 55 177.999 177.999 178.228 -0.229 25706 7357 1 17 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.643 -0.031 25706 7358 1 17 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.874 0.837 25706 7359 1 17 . 1 1 55 55 ILE H H 55 8.088 8.088 8.327 -0.239 25706 7360 1 17 . 1 1 56 56 LEU N N 56 116.646 116.646 120.206 -3.560 25706 7361 1 17 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.135 -0.131 25706 7362 1 17 . 1 1 56 56 LEU C C 56 178.636 178.636 179.426 -0.790 25706 7363 1 17 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.070 -0.006 25706 7364 1 17 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.488 2.456 25706 7365 1 17 . 1 1 56 56 LEU H H 56 8.477 8.477 8.501 -0.024 25706 7366 1 17 . 1 1 57 57 THR N N 57 117.148 117.148 116.194 0.954 25706 7367 1 17 . 1 1 57 57 THR HA H 57 3.833 3.833 3.923 -0.090 25706 7368 1 17 . 1 1 57 57 THR C C 57 175.836 175.836 176.900 -1.064 25706 7369 1 17 . 1 1 57 57 THR CA C 57 67.615 67.615 67.386 0.229 25706 7370 1 17 . 1 1 57 57 THR CB C 57 68.860 68.860 68.590 0.270 25706 7371 1 17 . 1 1 57 57 THR H H 57 8.260 8.260 8.535 -0.275 25706 7372 1 17 . 1 1 58 58 ARG N N 58 120.818 120.818 121.251 -0.433 25706 7373 1 17 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.059 0.189 25706 7374 1 17 . 1 1 58 58 ARG C C 58 179.476 179.476 178.240 1.236 25706 7375 1 17 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.549 -0.274 25706 7376 1 17 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.155 0.393 25706 7377 1 17 . 1 1 58 58 ARG H H 58 8.202 8.202 8.130 0.072 25706 7378 1 17 . 1 1 59 59 PHE N N 59 119.668 119.668 121.502 -1.834 25706 7379 1 17 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.510 0.238 25706 7380 1 17 . 1 1 59 59 PHE C C 59 178.260 178.260 177.339 0.921 25706 7381 1 17 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.423 -0.146 25706 7382 1 17 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.338 -0.118 25706 7383 1 17 . 1 1 59 59 PHE H H 59 8.615 8.615 8.555 0.060 25706 7384 1 17 . 1 1 60 60 LYS N N 60 123.687 123.687 118.248 5.439 25706 7385 1 17 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.820 -0.333 25706 7386 1 17 . 1 1 60 60 LYS C C 60 177.801 177.801 178.197 -0.396 25706 7387 1 17 . 1 1 60 60 LYS CA C 60 59.825 59.825 58.913 0.912 25706 7388 1 17 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.173 0.243 25706 7389 1 17 . 1 1 60 60 LYS H H 60 8.800 8.800 8.327 0.473 25706 7390 1 17 . 1 1 61 61 ASP N N 61 116.083 116.083 117.036 -0.953 25706 7391 1 17 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.507 0.086 25706 7392 1 17 . 1 1 61 61 ASP C C 61 177.052 177.052 176.628 0.424 25706 7393 1 17 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.643 0.276 25706 7394 1 17 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.496 -0.490 25706 7395 1 17 . 1 1 61 61 ASP H H 61 8.107 8.107 7.853 0.254 25706 7396 1 17 . 1 1 62 62 GLY N N 62 107.294 107.294 106.076 1.218 25706 7397 1 17 . 1 1 62 62 GLY C C 62 175.018 175.018 175.784 -0.766 25706 7398 1 17 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.317 0.068 25706 7399 1 17 . 1 1 62 62 GLY H H 62 7.625 7.625 7.386 0.239 25706 7400 1 17 . 1 1 63 63 GLY N N 63 109.718 109.718 108.015 1.703 25706 7401 1 17 . 1 1 63 63 GLY C C 63 173.393 173.393 174.402 -1.009 25706 7402 1 17 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.928 0.809 25706 7403 1 17 . 1 1 63 63 GLY H H 63 8.687 8.687 8.002 0.685 25706 7404 1 17 . 1 1 64 64 LEU N N 64 119.332 119.332 121.659 -2.327 25706 7405 1 17 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.742 -0.024 25706 7406 1 17 . 1 1 64 64 LEU C C 64 175.357 175.357 175.172 0.185 25706 7407 1 17 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.715 0.222 25706 7408 1 17 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.050 2.027 25706 7409 1 17 . 1 1 64 64 LEU H H 64 7.034 7.034 7.403 -0.369 25706 7410 1 17 . 1 1 65 65 ASP N N 65 121.569 121.569 125.130 -3.561 25706 7411 1 17 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.829 -0.036 25706 7412 1 17 . 1 1 65 65 ASP C C 65 175.652 175.652 177.575 -1.923 25706 7413 1 17 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.605 -1.728 25706 7414 1 17 . 1 1 65 65 ASP CB C 65 41.818 41.818 43.090 -1.272 25706 7415 1 17 . 1 1 65 65 ASP H H 65 8.287 8.287 8.676 -0.389 25706 7416 1 17 . 1 1 66 66 ARG N N 66 120.199 120.199 123.271 -3.072 25706 7417 1 17 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.930 -0.175 25706 7418 1 17 . 1 1 66 66 ARG C C 66 177.271 177.271 177.851 -0.580 25706 7419 1 17 . 1 1 66 66 ARG CA C 66 60.564 60.564 60.070 0.494 25706 7420 1 17 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.286 0.563 25706 7421 1 17 . 1 1 66 66 ARG H H 66 8.860 8.860 8.952 -0.092 25706 7422 1 17 . 1 1 67 67 ALA N N 67 120.212 120.212 120.333 -0.121 25706 7423 1 17 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.132 -0.048 25706 7424 1 17 . 1 1 67 67 ALA C C 67 181.015 181.015 179.514 1.501 25706 7425 1 17 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.916 0.260 25706 7426 1 17 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.038 -0.197 25706 7427 1 17 . 1 1 67 67 ALA H H 67 8.339 8.339 8.498 -0.159 25706 7428 1 17 . 1 1 68 68 ALA N N 68 122.433 122.433 121.077 1.356 25706 7429 1 17 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.144 0.011 25706 7430 1 17 . 1 1 68 68 ALA C C 68 180.071 180.071 179.479 0.592 25706 7431 1 17 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.473 0.477 25706 7432 1 17 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.221 1.026 25706 7433 1 17 . 1 1 68 68 ALA H H 68 8.184 8.184 7.638 0.546 25706 7434 1 17 . 1 1 69 69 ALA N N 69 119.845 119.845 121.323 -1.478 25706 7435 1 17 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.878 -0.046 25706 7436 1 17 . 1 1 69 69 ALA C C 69 178.826 178.826 179.798 -0.972 25706 7437 1 17 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.113 0.417 25706 7438 1 17 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.869 0.108 25706 7439 1 17 . 1 1 69 69 ALA H H 69 8.511 8.511 8.534 -0.023 25706 7440 1 17 . 1 1 70 70 GLN N N 70 116.137 116.137 118.153 -2.016 25706 7441 1 17 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.826 -0.226 25706 7442 1 17 . 1 1 70 70 GLN C C 70 177.832 177.832 178.455 -0.623 25706 7443 1 17 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.885 1.165 25706 7444 1 17 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.633 -0.458 25706 7445 1 17 . 1 1 70 70 GLN H H 70 8.528 8.528 8.180 0.348 25706 7446 1 17 . 1 1 71 71 ALA N N 71 120.118 120.118 123.216 -3.098 25706 7447 1 17 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.039 0.024 25706 7448 1 17 . 1 1 71 71 ALA C C 71 180.495 180.495 179.844 0.651 25706 7449 1 17 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.167 0.011 25706 7450 1 17 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.397 -0.501 25706 7451 1 17 . 1 1 71 71 ALA H H 71 7.625 7.625 7.899 -0.274 25706 7452 1 17 . 1 1 72 72 LEU N N 72 117.959 117.959 118.619 -0.660 25706 7453 1 17 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.188 -0.015 25706 7454 1 17 . 1 1 72 72 LEU C C 72 180.674 180.674 179.507 1.167 25706 7455 1 17 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.377 0.177 25706 7456 1 17 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.495 1.272 25706 7457 1 17 . 1 1 72 72 LEU H H 72 8.068 8.068 8.216 -0.148 25706 7458 1 17 . 1 1 73 73 LEU N N 73 119.237 119.237 118.553 0.684 25706 7459 1 17 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.056 0.058 25706 7460 1 17 . 1 1 73 73 LEU C C 73 177.691 177.691 178.974 -1.283 25706 7461 1 17 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.096 -0.372 25706 7462 1 17 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.831 0.758 25706 7463 1 17 . 1 1 73 73 LEU H H 73 8.251 8.251 7.803 0.448 25706 7464 1 17 . 1 1 74 74 ALA N N 74 120.421 120.421 119.048 1.373 25706 7465 1 17 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.375 -0.087 25706 7466 1 17 . 1 1 74 74 ALA C C 74 178.222 178.222 178.261 -0.039 25706 7467 1 17 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.193 0.668 25706 7468 1 17 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.022 0.176 25706 7469 1 17 . 1 1 74 74 ALA H H 74 7.765 7.765 7.872 -0.107 25706 7470 1 17 . 1 1 75 75 GLY N N 75 106.485 106.485 106.881 -0.396 25706 7471 1 17 . 1 1 75 75 GLY C C 75 174.299 174.299 174.666 -0.367 25706 7472 1 17 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.333 0.454 25706 7473 1 17 . 1 1 75 75 GLY H H 75 7.895 7.895 7.697 0.198 25706 7474 1 17 . 1 1 76 76 ARG N N 76 119.703 119.703 118.560 1.143 25706 7475 1 17 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.799 -0.297 25706 7476 1 17 . 1 1 76 76 ARG C C 76 175.750 175.750 174.518 1.232 25706 7477 1 17 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.992 1.415 25706 7478 1 17 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.538 -1.235 25706 7479 1 17 . 1 1 76 76 ARG H H 76 8.110 8.110 8.316 -0.206 25706 7480 1 17 . 1 1 77 77 THR N N 77 116.771 116.771 112.669 4.102 25706 7481 1 17 . 1 1 77 77 THR HA H 77 4.582 4.582 4.724 -0.142 25706 7482 1 17 . 1 1 77 77 THR CA C 77 59.920 59.920 58.494 1.426 25706 7483 1 17 . 1 1 77 77 THR CB C 77 69.810 69.810 69.438 0.372 25706 7484 1 17 . 1 1 77 77 THR H H 77 8.181 8.181 8.219 -0.038 25706 7485 1 17 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.472 -0.104 25706 7486 1 17 . 1 1 78 78 PRO C C 78 176.366 176.366 176.695 -0.329 25706 7487 1 17 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.383 0.771 25706 7488 1 17 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.041 0.067 25706 7489 1 17 . 1 1 79 79 ALA N N 79 124.715 124.715 125.245 -0.530 25706 7490 1 17 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.125 0.121 25706 7491 1 17 . 1 1 79 79 ALA C C 79 177.314 177.314 178.114 -0.800 25706 7492 1 17 . 1 1 79 79 ALA CA C 79 52.398 52.398 52.749 -0.351 25706 7493 1 17 . 1 1 79 79 ALA CB C 79 19.306 19.306 18.568 0.738 25706 7494 1 17 . 1 1 79 79 ALA H H 79 8.417 8.417 8.222 0.195 25706 7495 1 17 . 1 1 80 80 ALA N N 80 123.467 123.467 124.711 -1.244 25706 7496 1 17 . 1 1 80 80 ALA HA H 80 4.290 4.290 3.988 0.302 25706 7497 1 17 . 1 1 80 80 ALA C C 80 177.000 177.000 177.305 -0.305 25706 7498 1 17 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.324 -0.314 25706 7499 1 17 . 1 1 80 80 ALA CB C 80 19.447 19.447 17.860 1.587 25706 7500 1 17 . 1 1 80 80 ALA H H 80 8.232 8.232 8.683 -0.451 25706 7501 1 17 . 1 1 81 81 ALA N N 81 125.029 125.029 119.735 5.294 25706 7502 1 17 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.062 0.500 25706 7503 1 17 . 1 1 81 81 ALA CA C 81 50.431 50.431 52.097 -1.666 25706 7504 1 17 . 1 1 81 81 ALA CB C 81 19.480 19.480 17.894 1.586 25706 7505 1 17 . 1 1 81 81 ALA H H 81 8.250 8.250 7.667 0.583 25706 7506 1 17 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.362 0.050 25706 7507 1 17 . 1 1 82 82 PRO C C 82 176.531 176.531 176.249 0.282 25706 7508 1 17 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.668 0.330 25706 7509 1 17 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.296 1.787 25706 7510 1 17 . 1 1 83 83 ARG N N 83 122.956 122.956 117.639 5.317 25706 7511 1 17 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.020 0.591 25706 7512 1 17 . 1 1 83 83 ARG CA C 83 53.778 53.778 56.233 -2.455 25706 7513 1 17 . 1 1 83 83 ARG CB C 83 30.242 30.242 27.479 2.763 25706 7514 1 17 . 1 1 83 83 ARG H H 83 8.384 8.384 8.138 0.246 25706 7515 1 18 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.529 -0.057 25706 7516 1 18 . 1 1 2 2 PRO C C 2 177.459 177.459 177.342 0.117 25706 7517 1 18 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.664 0.910 25706 7518 1 18 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.453 -0.307 25706 7519 1 18 . 1 1 3 3 GLY N N 3 109.882 109.882 109.288 0.594 25706 7520 1 18 . 1 1 3 3 GLY C C 3 174.103 174.103 174.309 -0.206 25706 7521 1 18 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.581 0.691 25706 7522 1 18 . 1 1 3 3 GLY H H 3 8.645 8.645 8.177 0.468 25706 7523 1 18 . 1 1 4 4 SER N N 4 115.534 115.534 115.938 -0.404 25706 7524 1 18 . 1 1 4 4 SER HA H 4 4.438 4.438 4.491 -0.053 25706 7525 1 18 . 1 1 4 4 SER C C 4 174.137 174.137 173.613 0.524 25706 7526 1 18 . 1 1 4 4 SER CA C 4 58.319 58.319 58.300 0.019 25706 7527 1 18 . 1 1 4 4 SER CB C 4 63.864 63.864 63.540 0.324 25706 7528 1 18 . 1 1 4 4 SER H H 4 8.127 8.127 8.357 -0.230 25706 7529 1 18 . 1 1 5 5 TYR N N 5 122.533 122.533 120.926 1.607 25706 7530 1 18 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.788 -0.118 25706 7531 1 18 . 1 1 5 5 TYR C C 5 176.109 176.109 175.548 0.561 25706 7532 1 18 . 1 1 5 5 TYR CA C 5 58.115 58.115 56.780 1.335 25706 7533 1 18 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.234 -0.379 25706 7534 1 18 . 1 1 5 5 TYR H H 5 8.349 8.349 8.121 0.228 25706 7535 1 18 . 1 1 6 6 THR N N 6 116.290 116.290 112.237 4.053 25706 7536 1 18 . 1 1 6 6 THR HA H 6 4.305 4.305 4.341 -0.036 25706 7537 1 18 . 1 1 6 6 THR C C 6 174.899 174.899 176.683 -1.784 25706 7538 1 18 . 1 1 6 6 THR CA C 6 61.743 61.743 62.066 -0.323 25706 7539 1 18 . 1 1 6 6 THR CB C 6 69.859 69.859 69.174 0.685 25706 7540 1 18 . 1 1 6 6 THR H H 6 8.177 8.177 8.656 -0.479 25706 7541 1 18 . 1 1 7 7 GLY N N 7 110.576 110.576 110.919 -0.343 25706 7542 1 18 . 1 1 7 7 GLY C C 7 173.596 173.596 174.849 -1.253 25706 7543 1 18 . 1 1 7 7 GLY CA C 7 45.347 45.347 45.896 -0.549 25706 7544 1 18 . 1 1 7 7 GLY H H 7 7.646 7.646 8.500 -0.854 25706 7545 1 18 . 1 1 8 8 ALA N N 8 123.499 123.499 123.258 0.241 25706 7546 1 18 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.479 -0.124 25706 7547 1 18 . 1 1 8 8 ALA C C 8 178.119 178.119 178.010 0.109 25706 7548 1 18 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.145 0.402 25706 7549 1 18 . 1 1 8 8 ALA CB C 8 19.387 19.387 18.893 0.494 25706 7550 1 18 . 1 1 8 8 ALA H H 8 8.171 8.171 8.007 0.164 25706 7551 1 18 . 1 1 9 9 GLY N N 9 108.467 108.467 108.627 -0.160 25706 7552 1 18 . 1 1 9 9 GLY C C 9 173.664 173.664 174.024 -0.360 25706 7553 1 18 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.387 0.742 25706 7554 1 18 . 1 1 9 9 GLY H H 9 8.398 8.398 7.628 0.770 25706 7555 1 18 . 1 1 10 10 GLU N N 10 121.535 121.535 121.957 -0.422 25706 7556 1 18 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.469 0.129 25706 7557 1 18 . 1 1 10 10 GLU CA C 10 54.252 54.252 55.257 -1.005 25706 7558 1 18 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.587 0.372 25706 7559 1 18 . 1 1 10 10 GLU H H 10 8.230 8.230 8.330 -0.100 25706 7560 1 18 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.448 0.006 25706 7561 1 18 . 1 1 11 11 PRO C C 11 176.799 176.799 176.073 0.726 25706 7562 1 18 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.710 0.592 25706 7563 1 18 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.552 -0.528 25706 7564 1 18 . 1 1 12 12 SER N N 12 117.122 117.122 115.539 1.583 25706 7565 1 18 . 1 1 12 12 SER HA H 12 4.469 4.469 4.690 -0.221 25706 7566 1 18 . 1 1 12 12 SER C C 12 174.904 174.904 176.300 -1.396 25706 7567 1 18 . 1 1 12 12 SER CA C 12 57.876 57.876 56.054 1.822 25706 7568 1 18 . 1 1 12 12 SER CB C 12 64.624 64.624 64.947 -0.323 25706 7569 1 18 . 1 1 12 12 SER H H 12 8.721 8.721 8.936 -0.215 25706 7570 1 18 . 1 1 13 13 GLN N N 13 121.678 121.678 124.327 -2.649 25706 7571 1 18 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.070 0.050 25706 7572 1 18 . 1 1 13 13 GLN C C 13 178.113 178.113 177.091 1.022 25706 7573 1 18 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.513 -0.656 25706 7574 1 18 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.213 0.529 25706 7575 1 18 . 1 1 13 13 GLN H H 13 8.660 8.660 9.003 -0.343 25706 7576 1 18 . 1 1 14 14 ALA N N 14 122.557 122.557 121.841 0.716 25706 7577 1 18 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.113 0.095 25706 7578 1 18 . 1 1 14 14 ALA C C 14 179.168 179.168 179.071 0.097 25706 7579 1 18 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.750 -0.687 25706 7580 1 18 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.427 0.547 25706 7581 1 18 . 1 1 14 14 ALA H H 14 8.251 8.251 7.848 0.403 25706 7582 1 18 . 1 1 15 15 ASP N N 15 120.191 120.191 119.986 0.205 25706 7583 1 18 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.477 0.018 25706 7584 1 18 . 1 1 15 15 ASP C C 15 178.121 178.121 178.502 -0.381 25706 7585 1 18 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.985 -1.482 25706 7586 1 18 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.644 -0.059 25706 7587 1 18 . 1 1 15 15 ASP H H 15 8.049 8.049 7.696 0.353 25706 7588 1 18 . 1 1 16 16 LEU N N 16 122.661 122.661 120.844 1.817 25706 7589 1 18 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.936 0.067 25706 7590 1 18 . 1 1 16 16 LEU C C 16 178.320 178.320 178.535 -0.215 25706 7591 1 18 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.881 -0.146 25706 7592 1 18 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.914 0.003 25706 7593 1 18 . 1 1 16 16 LEU H H 16 8.258 8.258 7.727 0.531 25706 7594 1 18 . 1 1 17 17 ASP N N 17 119.364 119.364 118.894 0.470 25706 7595 1 18 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.204 0.039 25706 7596 1 18 . 1 1 17 17 ASP C C 17 178.534 178.534 177.769 0.765 25706 7597 1 18 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.525 0.569 25706 7598 1 18 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.829 0.626 25706 7599 1 18 . 1 1 17 17 ASP H H 17 8.299 8.299 8.330 -0.031 25706 7600 1 18 . 1 1 18 18 ALA N N 18 121.057 121.057 121.662 -0.605 25706 7601 1 18 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.136 -0.011 25706 7602 1 18 . 1 1 18 18 ALA C C 18 180.942 180.942 179.770 1.172 25706 7603 1 18 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.084 -0.137 25706 7604 1 18 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.349 -0.132 25706 7605 1 18 . 1 1 18 18 ALA H H 18 7.851 7.851 7.587 0.264 25706 7606 1 18 . 1 1 19 19 LEU N N 19 122.159 122.159 119.641 2.518 25706 7607 1 18 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.097 -0.122 25706 7608 1 18 . 1 1 19 19 LEU C C 19 178.447 178.447 178.688 -0.241 25706 7609 1 18 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.184 1.630 25706 7610 1 18 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.155 0.218 25706 7611 1 18 . 1 1 19 19 LEU H H 19 7.941 7.941 7.346 0.595 25706 7612 1 18 . 1 1 20 20 LEU N N 20 119.065 119.065 119.181 -0.116 25706 7613 1 18 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.950 -0.240 25706 7614 1 18 . 1 1 20 20 LEU C C 20 179.763 179.763 179.092 0.671 25706 7615 1 18 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.371 0.026 25706 7616 1 18 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.594 -1.728 25706 7617 1 18 . 1 1 20 20 LEU H H 20 8.454 8.454 8.632 -0.178 25706 7618 1 18 . 1 1 21 21 SER N N 21 115.603 115.603 113.969 1.634 25706 7619 1 18 . 1 1 21 21 SER HA H 21 4.199 4.199 4.146 0.053 25706 7620 1 18 . 1 1 21 21 SER C C 21 175.002 175.002 175.935 -0.933 25706 7621 1 18 . 1 1 21 21 SER CA C 21 62.502 62.502 61.091 1.411 25706 7622 1 18 . 1 1 21 21 SER CB C 21 62.806 62.806 63.080 -0.274 25706 7623 1 18 . 1 1 21 21 SER H H 21 8.248 8.248 8.172 0.076 25706 7624 1 18 . 1 1 22 22 ALA N N 22 123.437 123.437 124.203 -0.766 25706 7625 1 18 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.132 -0.066 25706 7626 1 18 . 1 1 22 22 ALA C C 22 180.273 180.273 178.529 1.744 25706 7627 1 18 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.851 0.636 25706 7628 1 18 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.458 -0.227 25706 7629 1 18 . 1 1 22 22 ALA H H 22 7.982 7.982 7.479 0.503 25706 7630 1 18 . 1 1 23 23 VAL N N 23 119.580 119.580 118.826 0.754 25706 7631 1 18 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.163 0.070 25706 7632 1 18 . 1 1 23 23 VAL C C 23 180.144 180.144 178.292 1.852 25706 7633 1 18 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.510 0.964 25706 7634 1 18 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.959 0.252 25706 7635 1 18 . 1 1 23 23 VAL H H 23 8.382 8.382 7.666 0.716 25706 7636 1 18 . 1 1 24 24 ARG N N 24 122.585 122.585 119.561 3.024 25706 7637 1 18 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.041 -0.120 25706 7638 1 18 . 1 1 24 24 ARG C C 24 177.169 177.169 177.358 -0.189 25706 7639 1 18 . 1 1 24 24 ARG CA C 24 59.514 59.514 57.840 1.674 25706 7640 1 18 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.916 -0.021 25706 7641 1 18 . 1 1 24 24 ARG H H 24 8.589 8.589 8.417 0.172 25706 7642 1 18 . 1 1 25 25 ASP N N 25 115.538 115.538 117.325 -1.787 25706 7643 1 18 . 1 1 25 25 ASP C C 25 175.579 175.579 175.494 0.085 25706 7644 1 18 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.116 1.237 25706 7645 1 18 . 1 1 25 25 ASP CB C 25 40.715 40.715 41.152 -0.437 25706 7646 1 18 . 1 1 25 25 ASP H H 25 8.083 8.083 7.743 0.340 25706 7647 1 18 . 1 1 26 26 ASN N N 26 113.668 113.668 115.192 -1.524 25706 7648 1 18 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.372 0.120 25706 7649 1 18 . 1 1 26 26 ASN C C 26 174.953 174.953 175.822 -0.869 25706 7650 1 18 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.416 0.807 25706 7651 1 18 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.790 -0.339 25706 7652 1 18 . 1 1 26 26 ASN H H 26 7.860 7.860 7.802 0.058 25706 7653 1 18 . 1 1 27 27 ARG N N 27 117.078 117.078 116.398 0.680 25706 7654 1 18 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.327 -0.024 25706 7655 1 18 . 1 1 27 27 ARG C C 27 176.011 176.011 175.953 0.058 25706 7656 1 18 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.474 1.108 25706 7657 1 18 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.712 0.662 25706 7658 1 18 . 1 1 27 27 ARG H H 27 8.700 8.700 8.323 0.377 25706 7659 1 18 . 1 1 28 28 LEU N N 28 119.538 119.538 120.382 -0.844 25706 7660 1 18 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.609 0.017 25706 7661 1 18 . 1 1 28 28 LEU C C 28 175.563 175.563 175.768 -0.205 25706 7662 1 18 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.027 0.376 25706 7663 1 18 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.818 1.903 25706 7664 1 18 . 1 1 28 28 LEU H H 28 7.101 7.101 7.676 -0.575 25706 7665 1 18 . 1 1 29 29 SER N N 29 119.714 119.714 118.105 1.609 25706 7666 1 18 . 1 1 29 29 SER HA H 29 4.512 4.512 4.563 -0.051 25706 7667 1 18 . 1 1 29 29 SER C C 29 174.769 174.769 175.738 -0.969 25706 7668 1 18 . 1 1 29 29 SER CA C 29 56.883 56.883 56.456 0.427 25706 7669 1 18 . 1 1 29 29 SER CB C 29 65.067 65.067 64.545 0.522 25706 7670 1 18 . 1 1 29 29 SER H H 29 8.885 8.885 8.564 0.321 25706 7671 1 18 . 1 1 30 30 ILE N N 30 121.990 121.990 124.430 -2.440 25706 7672 1 18 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.809 -0.245 25706 7673 1 18 . 1 1 30 30 ILE C C 30 177.419 177.419 177.875 -0.456 25706 7674 1 18 . 1 1 30 30 ILE CA C 30 65.706 65.706 63.902 1.804 25706 7675 1 18 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.416 -0.284 25706 7676 1 18 . 1 1 30 30 ILE H H 30 8.953 8.953 8.793 0.160 25706 7677 1 18 . 1 1 31 31 GLU N N 31 117.222 117.222 118.456 -1.234 25706 7678 1 18 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.130 -0.267 25706 7679 1 18 . 1 1 31 31 GLU C C 31 179.559 179.559 178.960 0.599 25706 7680 1 18 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.306 1.208 25706 7681 1 18 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.286 -0.240 25706 7682 1 18 . 1 1 31 31 GLU H H 31 8.669 8.669 7.725 0.944 25706 7683 1 18 . 1 1 32 32 GLN N N 32 118.595 118.595 118.225 0.370 25706 7684 1 18 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.179 -0.134 25706 7685 1 18 . 1 1 32 32 GLN C C 32 179.113 179.113 178.208 0.905 25706 7686 1 18 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.131 0.370 25706 7687 1 18 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.069 1.218 25706 7688 1 18 . 1 1 32 32 GLN H H 32 7.949 7.949 8.450 -0.501 25706 7689 1 18 . 1 1 33 33 ALA N N 33 123.062 123.062 122.680 0.382 25706 7690 1 18 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.169 -0.256 25706 7691 1 18 . 1 1 33 33 ALA C C 33 178.918 178.918 179.570 -0.652 25706 7692 1 18 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.046 0.492 25706 7693 1 18 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.433 0.713 25706 7694 1 18 . 1 1 33 33 ALA H H 33 8.520 8.520 8.277 0.243 25706 7695 1 18 . 1 1 34 34 VAL N N 34 115.551 115.551 118.698 -3.147 25706 7696 1 18 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.590 -0.207 25706 7697 1 18 . 1 1 34 34 VAL C C 34 179.013 179.013 178.273 0.740 25706 7698 1 18 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.895 0.136 25706 7699 1 18 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.849 -0.274 25706 7700 1 18 . 1 1 34 34 VAL H H 34 8.469 8.469 7.743 0.726 25706 7701 1 18 . 1 1 35 35 THR N N 35 114.806 114.806 115.621 -0.815 25706 7702 1 18 . 1 1 35 35 THR HA H 35 4.012 4.012 4.102 -0.090 25706 7703 1 18 . 1 1 35 35 THR C C 35 176.151 176.151 176.176 -0.025 25706 7704 1 18 . 1 1 35 35 THR CA C 35 65.944 65.944 66.447 -0.503 25706 7705 1 18 . 1 1 35 35 THR CB C 35 68.902 68.902 68.596 0.306 25706 7706 1 18 . 1 1 35 35 THR H H 35 7.598 7.598 7.847 -0.249 25706 7707 1 18 . 1 1 36 36 LEU N N 36 120.922 120.922 119.500 1.422 25706 7708 1 18 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.297 -0.114 25706 7709 1 18 . 1 1 36 36 LEU C C 36 177.940 177.940 178.072 -0.132 25706 7710 1 18 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.796 -0.186 25706 7711 1 18 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.021 0.256 25706 7712 1 18 . 1 1 36 36 LEU H H 36 7.516 7.516 7.499 0.017 25706 7713 1 18 . 1 1 37 37 LEU N N 37 118.066 118.066 118.933 -0.867 25706 7714 1 18 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.265 0.072 25706 7715 1 18 . 1 1 37 37 LEU C C 37 177.013 177.013 177.491 -0.478 25706 7716 1 18 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.347 -1.470 25706 7717 1 18 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.199 -0.178 25706 7718 1 18 . 1 1 37 37 LEU H H 37 7.444 7.444 7.801 -0.357 25706 7719 1 18 . 1 1 38 38 THR N N 38 116.689 116.689 118.964 -2.275 25706 7720 1 18 . 1 1 38 38 THR HA H 38 4.469 4.469 4.380 0.089 25706 7721 1 18 . 1 1 38 38 THR CA C 38 61.736 61.736 62.382 -0.646 25706 7722 1 18 . 1 1 38 38 THR CB C 38 69.544 69.544 68.583 0.961 25706 7723 1 18 . 1 1 38 38 THR H H 38 7.925 7.925 7.831 0.094 25706 7724 1 18 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.429 0.044 25706 7725 1 18 . 1 1 39 39 PRO C C 39 177.055 177.055 177.034 0.021 25706 7726 1 18 . 1 1 39 39 PRO CA C 39 63.505 63.505 63.406 0.099 25706 7727 1 18 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.480 -0.340 25706 7728 1 18 . 1 1 40 40 ARG N N 40 120.701 120.701 121.079 -0.378 25706 7729 1 18 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.287 0.020 25706 7730 1 18 . 1 1 40 40 ARG C C 40 176.527 176.527 176.193 0.334 25706 7731 1 18 . 1 1 40 40 ARG CA C 40 56.307 56.307 57.063 -0.756 25706 7732 1 18 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.248 0.549 25706 7733 1 18 . 1 1 40 40 ARG H H 40 8.384 8.384 8.436 -0.052 25706 7734 1 18 . 1 1 41 41 ARG N N 41 121.467 121.467 118.619 2.848 25706 7735 1 18 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.561 -0.180 25706 7736 1 18 . 1 1 41 41 ARG C C 41 176.791 176.791 176.436 0.355 25706 7737 1 18 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.205 1.022 25706 7738 1 18 . 1 1 41 41 ARG CB C 41 30.869 30.869 31.855 -0.986 25706 7739 1 18 . 1 1 41 41 ARG H H 41 8.367 8.367 7.800 0.567 25706 7740 1 18 . 1 1 42 42 GLY N N 42 110.418 110.418 109.399 1.019 25706 7741 1 18 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.695 0.652 25706 7742 1 18 . 1 1 42 42 GLY H H 42 8.538 8.538 8.234 0.304 25706 7743 1 18 . 1 1 44 44 GLY C C 44 174.487 174.487 175.556 -1.069 25706 7744 1 18 . 1 1 45 45 SER N N 45 115.788 115.788 114.887 0.901 25706 7745 1 18 . 1 1 45 45 SER HA H 45 4.515 4.515 4.354 0.161 25706 7746 1 18 . 1 1 45 45 SER C C 45 175.337 175.337 175.518 -0.181 25706 7747 1 18 . 1 1 45 45 SER CA C 45 58.590 58.590 58.612 -0.022 25706 7748 1 18 . 1 1 45 45 SER CB C 45 63.920 63.920 63.438 0.482 25706 7749 1 18 . 1 1 45 45 SER H H 45 8.422 8.422 8.574 -0.152 25706 7750 1 18 . 1 1 46 46 GLY N N 46 111.003 111.003 108.926 2.077 25706 7751 1 18 . 1 1 46 46 GLY C C 46 174.837 174.837 174.966 -0.129 25706 7752 1 18 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.484 1.013 25706 7753 1 18 . 1 1 46 46 GLY H H 46 8.600 8.600 7.842 0.758 25706 7754 1 18 . 1 1 47 47 GLY N N 47 108.933 108.933 109.072 -0.139 25706 7755 1 18 . 1 1 47 47 GLY C C 47 174.864 174.864 173.793 1.071 25706 7756 1 18 . 1 1 47 47 GLY H H 47 8.398 8.398 7.385 1.013 25706 7757 1 18 . 1 1 48 48 GLY N N 48 108.905 108.905 105.986 2.919 25706 7758 1 18 . 1 1 48 48 GLY C C 48 174.496 174.496 174.007 0.489 25706 7759 1 18 . 1 1 48 48 GLY H H 48 8.418 8.418 7.855 0.563 25706 7760 1 18 . 1 1 49 49 SER N N 49 115.575 115.575 114.324 1.251 25706 7761 1 18 . 1 1 49 49 SER HA H 49 4.439 4.439 4.509 -0.070 25706 7762 1 18 . 1 1 49 49 SER C C 49 174.539 174.539 174.591 -0.052 25706 7763 1 18 . 1 1 49 49 SER CA C 49 58.826 58.826 58.544 0.282 25706 7764 1 18 . 1 1 49 49 SER CB C 49 64.100 64.100 63.390 0.710 25706 7765 1 18 . 1 1 49 49 SER H H 49 8.292 8.292 8.296 -0.004 25706 7766 1 18 . 1 1 50 50 MET N N 50 121.907 121.907 121.948 -0.041 25706 7767 1 18 . 1 1 50 50 MET HA H 50 4.445 4.445 4.578 -0.133 25706 7768 1 18 . 1 1 50 50 MET C C 50 175.456 175.456 174.838 0.618 25706 7769 1 18 . 1 1 50 50 MET CA C 50 55.951 55.951 55.153 0.798 25706 7770 1 18 . 1 1 50 50 MET CB C 50 33.967 33.967 35.608 -1.641 25706 7771 1 18 . 1 1 50 50 MET H H 50 8.310 8.310 7.527 0.783 25706 7772 1 18 . 1 1 51 51 ASP N N 51 122.904 122.904 125.006 -2.102 25706 7773 1 18 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.683 -0.042 25706 7774 1 18 . 1 1 51 51 ASP C C 51 176.239 176.239 177.157 -0.918 25706 7775 1 18 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.344 -0.833 25706 7776 1 18 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.467 -0.954 25706 7777 1 18 . 1 1 51 51 ASP H H 51 8.506 8.506 8.555 -0.049 25706 7778 1 18 . 1 1 52 52 ALA N N 52 123.354 123.354 125.754 -2.400 25706 7779 1 18 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.944 -0.098 25706 7780 1 18 . 1 1 52 52 ALA C C 52 178.517 178.517 178.753 -0.236 25706 7781 1 18 . 1 1 52 52 ALA CA C 52 55.598 55.598 54.881 0.717 25706 7782 1 18 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.805 -0.188 25706 7783 1 18 . 1 1 52 52 ALA H H 52 8.506 8.506 8.637 -0.131 25706 7784 1 18 . 1 1 53 53 LYS N N 53 117.034 117.034 118.915 -1.881 25706 7785 1 18 . 1 1 53 53 LYS HA H 53 3.598 3.598 3.971 -0.373 25706 7786 1 18 . 1 1 53 53 LYS C C 53 179.171 179.171 178.618 0.553 25706 7787 1 18 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.399 1.003 25706 7788 1 18 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.627 0.431 25706 7789 1 18 . 1 1 53 53 LYS H H 53 8.407 8.407 8.372 0.035 25706 7790 1 18 . 1 1 54 54 GLU N N 54 123.212 123.212 119.125 4.087 25706 7791 1 18 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.139 -0.066 25706 7792 1 18 . 1 1 54 54 GLU C C 54 178.526 178.526 178.870 -0.344 25706 7793 1 18 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.106 0.638 25706 7794 1 18 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.049 0.289 25706 7795 1 18 . 1 1 54 54 GLU H H 54 8.005 8.005 8.420 -0.415 25706 7796 1 18 . 1 1 55 55 ILE N N 55 119.567 119.567 120.328 -0.761 25706 7797 1 18 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.699 -0.270 25706 7798 1 18 . 1 1 55 55 ILE C C 55 177.999 177.999 177.943 0.056 25706 7799 1 18 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.859 -0.247 25706 7800 1 18 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.931 0.779 25706 7801 1 18 . 1 1 55 55 ILE H H 55 8.088 8.088 8.092 -0.004 25706 7802 1 18 . 1 1 56 56 LEU N N 56 116.646 116.646 120.486 -3.840 25706 7803 1 18 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.199 -0.195 25706 7804 1 18 . 1 1 56 56 LEU C C 56 178.636 178.636 179.509 -0.873 25706 7805 1 18 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.219 -0.155 25706 7806 1 18 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.382 2.562 25706 7807 1 18 . 1 1 56 56 LEU H H 56 8.477 8.477 8.621 -0.144 25706 7808 1 18 . 1 1 57 57 THR N N 57 117.148 117.148 116.048 1.100 25706 7809 1 18 . 1 1 57 57 THR HA H 57 3.833 3.833 3.982 -0.149 25706 7810 1 18 . 1 1 57 57 THR C C 57 175.836 175.836 176.940 -1.104 25706 7811 1 18 . 1 1 57 57 THR CA C 57 67.615 67.615 67.224 0.391 25706 7812 1 18 . 1 1 57 57 THR CB C 57 68.860 68.860 68.493 0.367 25706 7813 1 18 . 1 1 57 57 THR H H 57 8.260 8.260 8.470 -0.210 25706 7814 1 18 . 1 1 58 58 ARG N N 58 120.818 120.818 121.639 -0.821 25706 7815 1 18 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.055 0.193 25706 7816 1 18 . 1 1 58 58 ARG C C 58 179.476 179.476 178.315 1.161 25706 7817 1 18 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.602 -0.327 25706 7818 1 18 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.151 0.397 25706 7819 1 18 . 1 1 58 58 ARG H H 58 8.202 8.202 8.075 0.127 25706 7820 1 18 . 1 1 59 59 PHE N N 59 119.668 119.668 121.660 -1.992 25706 7821 1 18 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.527 0.221 25706 7822 1 18 . 1 1 59 59 PHE C C 59 178.260 178.260 177.646 0.614 25706 7823 1 18 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.193 0.084 25706 7824 1 18 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.167 0.053 25706 7825 1 18 . 1 1 59 59 PHE H H 59 8.615 8.615 8.674 -0.059 25706 7826 1 18 . 1 1 60 60 LYS N N 60 123.687 123.687 118.989 4.698 25706 7827 1 18 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.675 -0.188 25706 7828 1 18 . 1 1 60 60 LYS C C 60 177.801 177.801 178.136 -0.335 25706 7829 1 18 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.003 0.822 25706 7830 1 18 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.212 0.204 25706 7831 1 18 . 1 1 60 60 LYS H H 60 8.800 8.800 8.444 0.356 25706 7832 1 18 . 1 1 61 61 ASP N N 61 116.083 116.083 116.601 -0.518 25706 7833 1 18 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.510 0.083 25706 7834 1 18 . 1 1 61 61 ASP C C 61 177.052 177.052 176.663 0.389 25706 7835 1 18 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.347 0.572 25706 7836 1 18 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.198 -0.192 25706 7837 1 18 . 1 1 61 61 ASP H H 61 8.107 8.107 7.823 0.284 25706 7838 1 18 . 1 1 62 62 GLY N N 62 107.294 107.294 105.966 1.328 25706 7839 1 18 . 1 1 62 62 GLY C C 62 175.018 175.018 175.683 -0.665 25706 7840 1 18 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.076 0.309 25706 7841 1 18 . 1 1 62 62 GLY H H 62 7.625 7.625 7.444 0.181 25706 7842 1 18 . 1 1 63 63 GLY N N 63 109.718 109.718 107.409 2.309 25706 7843 1 18 . 1 1 63 63 GLY C C 63 173.393 173.393 173.658 -0.265 25706 7844 1 18 . 1 1 63 63 GLY CA C 63 45.737 45.737 45.009 0.728 25706 7845 1 18 . 1 1 63 63 GLY H H 63 8.687 8.687 8.163 0.524 25706 7846 1 18 . 1 1 64 64 LEU N N 64 119.332 119.332 120.857 -1.525 25706 7847 1 18 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.744 -0.026 25706 7848 1 18 . 1 1 64 64 LEU C C 64 175.357 175.357 175.287 0.070 25706 7849 1 18 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.686 0.251 25706 7850 1 18 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.731 1.346 25706 7851 1 18 . 1 1 64 64 LEU H H 64 7.034 7.034 7.475 -0.441 25706 7852 1 18 . 1 1 65 65 ASP N N 65 121.569 121.569 125.123 -3.554 25706 7853 1 18 . 1 1 65 65 ASP HA H 65 4.793 4.793 5.009 -0.216 25706 7854 1 18 . 1 1 65 65 ASP C C 65 175.652 175.652 177.506 -1.854 25706 7855 1 18 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.025 -1.148 25706 7856 1 18 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.517 -0.698 25706 7857 1 18 . 1 1 65 65 ASP H H 65 8.287 8.287 8.619 -0.332 25706 7858 1 18 . 1 1 66 66 ARG N N 66 120.199 120.199 123.311 -3.112 25706 7859 1 18 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.656 0.099 25706 7860 1 18 . 1 1 66 66 ARG C C 66 177.271 177.271 177.776 -0.505 25706 7861 1 18 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.972 0.592 25706 7862 1 18 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.226 0.623 25706 7863 1 18 . 1 1 66 66 ARG H H 66 8.860 8.860 8.976 -0.116 25706 7864 1 18 . 1 1 67 67 ALA N N 67 120.212 120.212 120.076 0.136 25706 7865 1 18 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.153 -0.069 25706 7866 1 18 . 1 1 67 67 ALA C C 67 181.015 181.015 179.627 1.388 25706 7867 1 18 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.917 0.259 25706 7868 1 18 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.109 -0.268 25706 7869 1 18 . 1 1 67 67 ALA H H 67 8.339 8.339 8.464 -0.125 25706 7870 1 18 . 1 1 68 68 ALA N N 68 122.433 122.433 120.980 1.453 25706 7871 1 18 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.123 0.032 25706 7872 1 18 . 1 1 68 68 ALA C C 68 180.071 180.071 179.476 0.595 25706 7873 1 18 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.403 0.547 25706 7874 1 18 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.288 0.959 25706 7875 1 18 . 1 1 68 68 ALA H H 68 8.184 8.184 7.557 0.627 25706 7876 1 18 . 1 1 69 69 ALA N N 69 119.845 119.845 121.429 -1.584 25706 7877 1 18 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.839 -0.007 25706 7878 1 18 . 1 1 69 69 ALA C C 69 178.826 178.826 179.670 -0.844 25706 7879 1 18 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.066 0.464 25706 7880 1 18 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.827 0.150 25706 7881 1 18 . 1 1 69 69 ALA H H 69 8.511 8.511 8.346 0.165 25706 7882 1 18 . 1 1 70 70 GLN N N 70 116.137 116.137 118.257 -2.120 25706 7883 1 18 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.842 -0.242 25706 7884 1 18 . 1 1 70 70 GLN C C 70 177.832 177.832 178.514 -0.682 25706 7885 1 18 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.857 1.193 25706 7886 1 18 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.566 -0.391 25706 7887 1 18 . 1 1 70 70 GLN H H 70 8.528 8.528 8.322 0.206 25706 7888 1 18 . 1 1 71 71 ALA N N 71 120.118 120.118 122.350 -2.232 25706 7889 1 18 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.071 -0.008 25706 7890 1 18 . 1 1 71 71 ALA C C 71 180.495 180.495 179.354 1.141 25706 7891 1 18 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.007 0.171 25706 7892 1 18 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.355 -0.459 25706 7893 1 18 . 1 1 71 71 ALA H H 71 7.625 7.625 7.619 0.006 25706 7894 1 18 . 1 1 72 72 LEU N N 72 117.959 117.959 117.556 0.403 25706 7895 1 18 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.086 0.087 25706 7896 1 18 . 1 1 72 72 LEU C C 72 180.674 180.674 179.271 1.403 25706 7897 1 18 . 1 1 72 72 LEU CA C 72 57.554 57.554 56.863 0.691 25706 7898 1 18 . 1 1 72 72 LEU CB C 72 42.767 42.767 42.118 0.649 25706 7899 1 18 . 1 1 72 72 LEU H H 72 8.068 8.068 7.633 0.435 25706 7900 1 18 . 1 1 73 73 LEU N N 73 119.237 119.237 118.996 0.241 25706 7901 1 18 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.994 0.120 25706 7902 1 18 . 1 1 73 73 LEU C C 73 177.691 177.691 178.319 -0.628 25706 7903 1 18 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.524 -0.800 25706 7904 1 18 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.909 0.680 25706 7905 1 18 . 1 1 73 73 LEU H H 73 8.251 8.251 8.258 -0.007 25706 7906 1 18 . 1 1 74 74 ALA N N 74 120.421 120.421 118.419 2.002 25706 7907 1 18 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.182 0.106 25706 7908 1 18 . 1 1 74 74 ALA C C 74 178.222 178.222 177.752 0.470 25706 7909 1 18 . 1 1 74 74 ALA CA C 74 52.861 52.861 53.085 -0.224 25706 7910 1 18 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.421 -0.223 25706 7911 1 18 . 1 1 74 74 ALA H H 74 7.765 7.765 7.888 -0.123 25706 7912 1 18 . 1 1 75 75 GLY N N 75 106.485 106.485 104.934 1.551 25706 7913 1 18 . 1 1 75 75 GLY C C 75 174.299 174.299 175.373 -1.074 25706 7914 1 18 . 1 1 75 75 GLY CA C 75 45.787 45.787 46.016 -0.229 25706 7915 1 18 . 1 1 75 75 GLY H H 75 7.895 7.895 7.714 0.181 25706 7916 1 18 . 1 1 76 76 ARG N N 76 119.703 119.703 118.287 1.416 25706 7917 1 18 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.503 -0.001 25706 7918 1 18 . 1 1 76 76 ARG C C 76 175.750 175.750 176.708 -0.958 25706 7919 1 18 . 1 1 76 76 ARG CA C 76 55.407 55.407 54.810 0.597 25706 7920 1 18 . 1 1 76 76 ARG CB C 76 31.303 31.303 30.523 0.780 25706 7921 1 18 . 1 1 76 76 ARG H H 76 8.110 8.110 8.283 -0.173 25706 7922 1 18 . 1 1 77 77 THR N N 77 116.771 116.771 112.684 4.087 25706 7923 1 18 . 1 1 77 77 THR HA H 77 4.582 4.582 4.084 0.498 25706 7924 1 18 . 1 1 77 77 THR CA C 77 59.920 59.920 62.371 -2.451 25706 7925 1 18 . 1 1 77 77 THR CB C 77 69.810 69.810 67.914 1.896 25706 7926 1 18 . 1 1 77 77 THR H H 77 8.181 8.181 7.759 0.422 25706 7927 1 18 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.529 -0.161 25706 7928 1 18 . 1 1 78 78 PRO C C 78 176.366 176.366 175.539 0.827 25706 7929 1 18 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.765 0.389 25706 7930 1 18 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.409 -0.301 25706 7931 1 18 . 1 1 79 79 ALA N N 79 124.715 124.715 122.710 2.005 25706 7932 1 18 . 1 1 79 79 ALA HA H 79 4.246 4.246 5.094 -0.848 25706 7933 1 18 . 1 1 79 79 ALA C C 79 177.314 177.314 175.948 1.366 25706 7934 1 18 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.701 0.697 25706 7935 1 18 . 1 1 79 79 ALA CB C 79 19.306 19.306 21.134 -1.828 25706 7936 1 18 . 1 1 79 79 ALA H H 79 8.417 8.417 8.726 -0.309 25706 7937 1 18 . 1 1 80 80 ALA N N 80 123.467 123.467 122.543 0.924 25706 7938 1 18 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.796 -0.506 25706 7939 1 18 . 1 1 80 80 ALA C C 80 177.000 177.000 175.518 1.482 25706 7940 1 18 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.471 -0.461 25706 7941 1 18 . 1 1 80 80 ALA CB C 80 19.447 19.447 20.140 -0.693 25706 7942 1 18 . 1 1 80 80 ALA H H 80 8.232 8.232 8.497 -0.265 25706 7943 1 18 . 1 1 81 81 ALA N N 81 125.029 125.029 123.772 1.257 25706 7944 1 18 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.698 -0.136 25706 7945 1 18 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.522 -1.091 25706 7946 1 18 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.576 -0.096 25706 7947 1 18 . 1 1 81 81 ALA H H 81 8.250 8.250 8.325 -0.075 25706 7948 1 18 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.528 -0.116 25706 7949 1 18 . 1 1 82 82 PRO C C 82 176.531 176.531 176.751 -0.220 25706 7950 1 18 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.002 -0.004 25706 7951 1 18 . 1 1 82 82 PRO CB C 82 32.083 32.083 32.009 0.074 25706 7952 1 18 . 1 1 83 83 ARG N N 83 122.956 122.956 121.729 1.227 25706 7953 1 18 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.470 0.141 25706 7954 1 18 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.799 -1.021 25706 7955 1 18 . 1 1 83 83 ARG CB C 83 30.242 30.242 29.889 0.353 25706 7956 1 18 . 1 1 83 83 ARG H H 83 8.384 8.384 7.657 0.727 25706 7957 1 19 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.423 0.049 25706 7958 1 19 . 1 1 2 2 PRO C C 2 177.459 177.459 177.339 0.120 25706 7959 1 19 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.880 0.694 25706 7960 1 19 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.173 -0.027 25706 7961 1 19 . 1 1 3 3 GLY N N 3 109.882 109.882 108.651 1.231 25706 7962 1 19 . 1 1 3 3 GLY C C 3 174.103 174.103 173.989 0.114 25706 7963 1 19 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.459 0.813 25706 7964 1 19 . 1 1 3 3 GLY H H 3 8.645 8.645 8.044 0.601 25706 7965 1 19 . 1 1 4 4 SER N N 4 115.534 115.534 114.917 0.617 25706 7966 1 19 . 1 1 4 4 SER HA H 4 4.438 4.438 4.843 -0.405 25706 7967 1 19 . 1 1 4 4 SER C C 4 174.137 174.137 172.884 1.253 25706 7968 1 19 . 1 1 4 4 SER CA C 4 58.319 58.319 57.529 0.790 25706 7969 1 19 . 1 1 4 4 SER CB C 4 63.864 63.864 64.484 -0.620 25706 7970 1 19 . 1 1 4 4 SER H H 4 8.127 8.127 8.399 -0.272 25706 7971 1 19 . 1 1 5 5 TYR N N 5 122.533 122.533 123.741 -1.208 25706 7972 1 19 . 1 1 5 5 TYR HA H 5 4.670 4.670 5.070 -0.400 25706 7973 1 19 . 1 1 5 5 TYR C C 5 176.109 176.109 174.032 2.077 25706 7974 1 19 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.727 0.388 25706 7975 1 19 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.284 -1.429 25706 7976 1 19 . 1 1 5 5 TYR H H 5 8.349 8.349 8.882 -0.533 25706 7977 1 19 . 1 1 6 6 THR N N 6 116.290 116.290 115.807 0.483 25706 7978 1 19 . 1 1 6 6 THR HA H 6 4.305 4.305 4.530 -0.225 25706 7979 1 19 . 1 1 6 6 THR C C 6 174.899 174.899 173.486 1.413 25706 7980 1 19 . 1 1 6 6 THR CA C 6 61.743 61.743 60.674 1.069 25706 7981 1 19 . 1 1 6 6 THR CB C 6 69.859 69.859 71.443 -1.584 25706 7982 1 19 . 1 1 6 6 THR H H 6 8.177 8.177 7.930 0.247 25706 7983 1 19 . 1 1 7 7 GLY N N 7 110.576 110.576 109.855 0.721 25706 7984 1 19 . 1 1 7 7 GLY C C 7 173.596 173.596 174.693 -1.097 25706 7985 1 19 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.866 0.481 25706 7986 1 19 . 1 1 7 7 GLY H H 7 7.646 7.646 8.314 -0.668 25706 7987 1 19 . 1 1 8 8 ALA N N 8 123.499 123.499 122.825 0.674 25706 7988 1 19 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.001 0.354 25706 7989 1 19 . 1 1 8 8 ALA C C 8 178.119 178.119 178.172 -0.053 25706 7990 1 19 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.415 0.132 25706 7991 1 19 . 1 1 8 8 ALA CB C 8 19.387 19.387 18.566 0.821 25706 7992 1 19 . 1 1 8 8 ALA H H 8 8.171 8.171 7.549 0.622 25706 7993 1 19 . 1 1 9 9 GLY N N 9 108.467 108.467 104.833 3.634 25706 7994 1 19 . 1 1 9 9 GLY C C 9 173.664 173.664 172.966 0.698 25706 7995 1 19 . 1 1 9 9 GLY CA C 9 45.129 45.129 45.371 -0.242 25706 7996 1 19 . 1 1 9 9 GLY H H 9 8.398 8.398 8.478 -0.080 25706 7997 1 19 . 1 1 10 10 GLU N N 10 121.535 121.535 118.757 2.778 25706 7998 1 19 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.677 -0.079 25706 7999 1 19 . 1 1 10 10 GLU CA C 10 54.252 54.252 53.153 1.099 25706 8000 1 19 . 1 1 10 10 GLU CB C 10 29.959 29.959 31.023 -1.064 25706 8001 1 19 . 1 1 10 10 GLU H H 10 8.230 8.230 7.695 0.535 25706 8002 1 19 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.578 -0.124 25706 8003 1 19 . 1 1 11 11 PRO C C 11 176.799 176.799 176.846 -0.047 25706 8004 1 19 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.597 0.705 25706 8005 1 19 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.538 -0.514 25706 8006 1 19 . 1 1 12 12 SER N N 12 117.122 117.122 117.092 0.030 25706 8007 1 19 . 1 1 12 12 SER HA H 12 4.469 4.469 4.426 0.043 25706 8008 1 19 . 1 1 12 12 SER C C 12 174.904 174.904 176.287 -1.383 25706 8009 1 19 . 1 1 12 12 SER CA C 12 57.876 57.876 57.375 0.501 25706 8010 1 19 . 1 1 12 12 SER CB C 12 64.624 64.624 65.159 -0.535 25706 8011 1 19 . 1 1 12 12 SER H H 12 8.721 8.721 8.760 -0.039 25706 8012 1 19 . 1 1 13 13 GLN N N 13 121.678 121.678 120.858 0.820 25706 8013 1 19 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.046 0.074 25706 8014 1 19 . 1 1 13 13 GLN C C 13 178.113 178.113 177.055 1.058 25706 8015 1 19 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.490 -0.633 25706 8016 1 19 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.064 0.678 25706 8017 1 19 . 1 1 13 13 GLN H H 13 8.660 8.660 8.940 -0.280 25706 8018 1 19 . 1 1 14 14 ALA N N 14 122.557 122.557 122.946 -0.389 25706 8019 1 19 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.147 0.061 25706 8020 1 19 . 1 1 14 14 ALA C C 14 179.168 179.168 179.331 -0.163 25706 8021 1 19 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.559 -0.497 25706 8022 1 19 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.491 0.483 25706 8023 1 19 . 1 1 14 14 ALA H H 14 8.251 8.251 7.602 0.649 25706 8024 1 19 . 1 1 15 15 ASP N N 15 120.191 120.191 120.493 -0.302 25706 8025 1 19 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.358 0.137 25706 8026 1 19 . 1 1 15 15 ASP C C 15 178.121 178.121 178.719 -0.598 25706 8027 1 19 . 1 1 15 15 ASP CA C 15 55.503 55.503 57.328 -1.825 25706 8028 1 19 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.443 0.142 25706 8029 1 19 . 1 1 15 15 ASP H H 15 8.049 8.049 8.077 -0.028 25706 8030 1 19 . 1 1 16 16 LEU N N 16 122.661 122.661 119.926 2.735 25706 8031 1 19 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.963 0.040 25706 8032 1 19 . 1 1 16 16 LEU C C 16 178.320 178.320 178.558 -0.238 25706 8033 1 19 . 1 1 16 16 LEU CA C 16 57.735 57.735 57.847 -0.112 25706 8034 1 19 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.959 -0.042 25706 8035 1 19 . 1 1 16 16 LEU H H 16 8.258 8.258 8.106 0.152 25706 8036 1 19 . 1 1 17 17 ASP N N 17 119.364 119.364 119.238 0.126 25706 8037 1 19 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.219 0.024 25706 8038 1 19 . 1 1 17 17 ASP C C 17 178.534 178.534 177.925 0.609 25706 8039 1 19 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.584 0.510 25706 8040 1 19 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.844 0.611 25706 8041 1 19 . 1 1 17 17 ASP H H 17 8.299 8.299 8.116 0.183 25706 8042 1 19 . 1 1 18 18 ALA N N 18 121.057 121.057 121.878 -0.821 25706 8043 1 19 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.134 -0.009 25706 8044 1 19 . 1 1 18 18 ALA C C 18 180.942 180.942 179.674 1.268 25706 8045 1 19 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.038 -0.091 25706 8046 1 19 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.458 -0.241 25706 8047 1 19 . 1 1 18 18 ALA H H 18 7.851 7.851 7.626 0.225 25706 8048 1 19 . 1 1 19 19 LEU N N 19 122.159 122.159 119.924 2.235 25706 8049 1 19 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.055 -0.080 25706 8050 1 19 . 1 1 19 19 LEU C C 19 178.447 178.447 178.689 -0.242 25706 8051 1 19 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.792 1.022 25706 8052 1 19 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.202 0.171 25706 8053 1 19 . 1 1 19 19 LEU H H 19 7.941 7.941 7.424 0.517 25706 8054 1 19 . 1 1 20 20 LEU N N 20 119.065 119.065 118.607 0.458 25706 8055 1 19 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.920 -0.210 25706 8056 1 19 . 1 1 20 20 LEU C C 20 179.763 179.763 179.131 0.632 25706 8057 1 19 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.268 0.129 25706 8058 1 19 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.412 -1.546 25706 8059 1 19 . 1 1 20 20 LEU H H 20 8.454 8.454 8.636 -0.182 25706 8060 1 19 . 1 1 21 21 SER N N 21 115.603 115.603 114.321 1.282 25706 8061 1 19 . 1 1 21 21 SER HA H 21 4.199 4.199 4.172 0.027 25706 8062 1 19 . 1 1 21 21 SER C C 21 175.002 175.002 175.904 -0.902 25706 8063 1 19 . 1 1 21 21 SER CA C 21 62.502 62.502 61.945 0.557 25706 8064 1 19 . 1 1 21 21 SER CB C 21 62.806 62.806 62.747 0.059 25706 8065 1 19 . 1 1 21 21 SER H H 21 8.248 8.248 8.364 -0.116 25706 8066 1 19 . 1 1 22 22 ALA N N 22 123.437 123.437 123.607 -0.170 25706 8067 1 19 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.226 -0.160 25706 8068 1 19 . 1 1 22 22 ALA C C 22 180.273 180.273 179.103 1.170 25706 8069 1 19 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.896 0.591 25706 8070 1 19 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.463 -0.232 25706 8071 1 19 . 1 1 22 22 ALA H H 22 7.982 7.982 7.572 0.410 25706 8072 1 19 . 1 1 23 23 VAL N N 23 119.580 119.580 118.191 1.389 25706 8073 1 19 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.199 0.034 25706 8074 1 19 . 1 1 23 23 VAL C C 23 180.144 180.144 178.215 1.929 25706 8075 1 19 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.303 1.171 25706 8076 1 19 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.837 0.374 25706 8077 1 19 . 1 1 23 23 VAL H H 23 8.382 8.382 7.424 0.958 25706 8078 1 19 . 1 1 24 24 ARG N N 24 122.585 122.585 120.352 2.233 25706 8079 1 19 . 1 1 24 24 ARG HA H 24 3.921 3.921 3.995 -0.074 25706 8080 1 19 . 1 1 24 24 ARG C C 24 177.169 177.169 177.504 -0.335 25706 8081 1 19 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.284 1.230 25706 8082 1 19 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.989 -0.094 25706 8083 1 19 . 1 1 24 24 ARG H H 24 8.589 8.589 8.433 0.156 25706 8084 1 19 . 1 1 25 25 ASP N N 25 115.538 115.538 117.261 -1.723 25706 8085 1 19 . 1 1 25 25 ASP C C 25 175.579 175.579 175.438 0.141 25706 8086 1 19 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.612 0.741 25706 8087 1 19 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.968 -0.253 25706 8088 1 19 . 1 1 25 25 ASP H H 25 8.083 8.083 7.859 0.224 25706 8089 1 19 . 1 1 26 26 ASN N N 26 113.668 113.668 115.421 -1.753 25706 8090 1 19 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.378 0.114 25706 8091 1 19 . 1 1 26 26 ASN C C 26 174.953 174.953 175.964 -1.011 25706 8092 1 19 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.480 0.743 25706 8093 1 19 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.697 -0.246 25706 8094 1 19 . 1 1 26 26 ASN H H 26 7.860 7.860 7.750 0.110 25706 8095 1 19 . 1 1 27 27 ARG N N 27 117.078 117.078 116.156 0.922 25706 8096 1 19 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.330 -0.027 25706 8097 1 19 . 1 1 27 27 ARG C C 27 176.011 176.011 175.994 0.017 25706 8098 1 19 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.335 1.247 25706 8099 1 19 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.727 0.647 25706 8100 1 19 . 1 1 27 27 ARG H H 27 8.700 8.700 8.271 0.429 25706 8101 1 19 . 1 1 28 28 LEU N N 28 119.538 119.538 120.836 -1.298 25706 8102 1 19 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.633 -0.007 25706 8103 1 19 . 1 1 28 28 LEU C C 28 175.563 175.563 175.557 0.006 25706 8104 1 19 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.122 0.281 25706 8105 1 19 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.689 2.031 25706 8106 1 19 . 1 1 28 28 LEU H H 28 7.101 7.101 7.654 -0.553 25706 8107 1 19 . 1 1 29 29 SER N N 29 119.714 119.714 119.564 0.150 25706 8108 1 19 . 1 1 29 29 SER HA H 29 4.512 4.512 4.654 -0.142 25706 8109 1 19 . 1 1 29 29 SER C C 29 174.769 174.769 175.831 -1.062 25706 8110 1 19 . 1 1 29 29 SER CA C 29 56.883 56.883 56.862 0.021 25706 8111 1 19 . 1 1 29 29 SER CB C 29 65.067 65.067 65.161 -0.094 25706 8112 1 19 . 1 1 29 29 SER H H 29 8.885 8.885 8.506 0.379 25706 8113 1 19 . 1 1 30 30 ILE N N 30 121.990 121.990 124.355 -2.365 25706 8114 1 19 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.715 -0.151 25706 8115 1 19 . 1 1 30 30 ILE C C 30 177.419 177.419 178.049 -0.630 25706 8116 1 19 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.679 1.027 25706 8117 1 19 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.055 0.077 25706 8118 1 19 . 1 1 30 30 ILE H H 30 8.953 8.953 8.830 0.123 25706 8119 1 19 . 1 1 31 31 GLU N N 31 117.222 117.222 118.418 -1.196 25706 8120 1 19 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.126 -0.263 25706 8121 1 19 . 1 1 31 31 GLU C C 31 179.559 179.559 179.007 0.552 25706 8122 1 19 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.181 1.333 25706 8123 1 19 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.092 -0.046 25706 8124 1 19 . 1 1 31 31 GLU H H 31 8.669 8.669 8.678 -0.009 25706 8125 1 19 . 1 1 32 32 GLN N N 32 118.595 118.595 118.710 -0.115 25706 8126 1 19 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.181 -0.136 25706 8127 1 19 . 1 1 32 32 GLN C C 32 179.113 179.113 178.237 0.876 25706 8128 1 19 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.170 0.331 25706 8129 1 19 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.105 1.181 25706 8130 1 19 . 1 1 32 32 GLN H H 32 7.949 7.949 8.228 -0.279 25706 8131 1 19 . 1 1 33 33 ALA N N 33 123.062 123.062 122.468 0.594 25706 8132 1 19 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.108 -0.195 25706 8133 1 19 . 1 1 33 33 ALA C C 33 178.918 178.918 179.939 -1.021 25706 8134 1 19 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.078 0.460 25706 8135 1 19 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.350 0.796 25706 8136 1 19 . 1 1 33 33 ALA H H 33 8.520 8.520 8.472 0.048 25706 8137 1 19 . 1 1 34 34 VAL N N 34 115.551 115.551 118.117 -2.566 25706 8138 1 19 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.733 -0.350 25706 8139 1 19 . 1 1 34 34 VAL C C 34 179.013 179.013 178.061 0.952 25706 8140 1 19 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.620 0.411 25706 8141 1 19 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.449 0.126 25706 8142 1 19 . 1 1 34 34 VAL H H 34 8.469 8.469 7.790 0.679 25706 8143 1 19 . 1 1 35 35 THR N N 35 114.806 114.806 114.825 -0.019 25706 8144 1 19 . 1 1 35 35 THR HA H 35 4.012 4.012 4.149 -0.137 25706 8145 1 19 . 1 1 35 35 THR C C 35 176.151 176.151 175.805 0.346 25706 8146 1 19 . 1 1 35 35 THR CA C 35 65.944 65.944 65.343 0.601 25706 8147 1 19 . 1 1 35 35 THR CB C 35 68.902 68.902 68.698 0.204 25706 8148 1 19 . 1 1 35 35 THR H H 35 7.598 7.598 7.824 -0.226 25706 8149 1 19 . 1 1 36 36 LEU N N 36 120.922 120.922 119.097 1.825 25706 8150 1 19 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.293 -0.110 25706 8151 1 19 . 1 1 36 36 LEU C C 36 177.940 177.940 177.892 0.048 25706 8152 1 19 . 1 1 36 36 LEU CA C 36 56.610 56.610 55.259 1.351 25706 8153 1 19 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.095 0.182 25706 8154 1 19 . 1 1 36 36 LEU H H 36 7.516 7.516 7.782 -0.266 25706 8155 1 19 . 1 1 37 37 LEU N N 37 118.066 118.066 118.776 -0.710 25706 8156 1 19 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.248 0.089 25706 8157 1 19 . 1 1 37 37 LEU C C 37 177.013 177.013 177.158 -0.145 25706 8158 1 19 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.861 -0.984 25706 8159 1 19 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.583 0.438 25706 8160 1 19 . 1 1 37 37 LEU H H 37 7.444 7.444 7.130 0.314 25706 8161 1 19 . 1 1 38 38 THR N N 38 116.689 116.689 118.811 -2.122 25706 8162 1 19 . 1 1 38 38 THR HA H 38 4.469 4.469 4.198 0.271 25706 8163 1 19 . 1 1 38 38 THR CA C 38 61.736 61.736 62.734 -0.998 25706 8164 1 19 . 1 1 38 38 THR CB C 38 69.544 69.544 68.269 1.275 25706 8165 1 19 . 1 1 38 38 THR H H 38 7.925 7.925 7.755 0.170 25706 8166 1 19 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.447 0.026 25706 8167 1 19 . 1 1 39 39 PRO C C 39 177.055 177.055 177.210 -0.155 25706 8168 1 19 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.918 0.587 25706 8169 1 19 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.234 -0.094 25706 8170 1 19 . 1 1 40 40 ARG N N 40 120.701 120.701 121.089 -0.388 25706 8171 1 19 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.397 -0.090 25706 8172 1 19 . 1 1 40 40 ARG C C 40 176.527 176.527 175.818 0.709 25706 8173 1 19 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.417 -0.110 25706 8174 1 19 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.376 0.421 25706 8175 1 19 . 1 1 40 40 ARG H H 40 8.384 8.384 8.590 -0.206 25706 8176 1 19 . 1 1 41 41 ARG N N 41 121.467 121.467 119.366 2.101 25706 8177 1 19 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.489 -0.108 25706 8178 1 19 . 1 1 41 41 ARG C C 41 176.791 176.791 177.467 -0.676 25706 8179 1 19 . 1 1 41 41 ARG CA C 41 56.227 56.227 55.032 1.195 25706 8180 1 19 . 1 1 41 41 ARG CB C 41 30.869 30.869 31.724 -0.855 25706 8181 1 19 . 1 1 41 41 ARG H H 41 8.367 8.367 7.520 0.847 25706 8182 1 19 . 1 1 42 42 GLY N N 42 110.418 110.418 111.991 -1.573 25706 8183 1 19 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.782 -0.435 25706 8184 1 19 . 1 1 42 42 GLY H H 42 8.538 8.538 8.835 -0.297 25706 8185 1 19 . 1 1 44 44 GLY C C 44 174.487 174.487 174.434 0.053 25706 8186 1 19 . 1 1 45 45 SER N N 45 115.788 115.788 117.305 -1.517 25706 8187 1 19 . 1 1 45 45 SER HA H 45 4.515 4.515 4.377 0.138 25706 8188 1 19 . 1 1 45 45 SER C C 45 175.337 175.337 174.798 0.539 25706 8189 1 19 . 1 1 45 45 SER CA C 45 58.590 58.590 58.912 -0.322 25706 8190 1 19 . 1 1 45 45 SER CB C 45 63.920 63.920 63.591 0.329 25706 8191 1 19 . 1 1 45 45 SER H H 45 8.422 8.422 8.459 -0.037 25706 8192 1 19 . 1 1 46 46 GLY N N 46 111.003 111.003 111.101 -0.098 25706 8193 1 19 . 1 1 46 46 GLY C C 46 174.837 174.837 172.695 2.142 25706 8194 1 19 . 1 1 46 46 GLY CA C 46 45.497 45.497 45.372 0.125 25706 8195 1 19 . 1 1 46 46 GLY H H 46 8.600 8.600 8.301 0.299 25706 8196 1 19 . 1 1 47 47 GLY N N 47 108.933 108.933 107.710 1.223 25706 8197 1 19 . 1 1 47 47 GLY C C 47 174.864 174.864 174.527 0.337 25706 8198 1 19 . 1 1 47 47 GLY H H 47 8.398 8.398 8.119 0.279 25706 8199 1 19 . 1 1 48 48 GLY N N 48 108.905 108.905 107.711 1.194 25706 8200 1 19 . 1 1 48 48 GLY C C 48 174.496 174.496 174.765 -0.269 25706 8201 1 19 . 1 1 48 48 GLY H H 48 8.418 8.418 8.296 0.122 25706 8202 1 19 . 1 1 49 49 SER N N 49 115.575 115.575 114.142 1.433 25706 8203 1 19 . 1 1 49 49 SER HA H 49 4.439 4.439 4.635 -0.196 25706 8204 1 19 . 1 1 49 49 SER C C 49 174.539 174.539 173.821 0.718 25706 8205 1 19 . 1 1 49 49 SER CA C 49 58.826 58.826 57.231 1.595 25706 8206 1 19 . 1 1 49 49 SER CB C 49 64.100 64.100 64.095 0.005 25706 8207 1 19 . 1 1 49 49 SER H H 49 8.292 8.292 7.477 0.815 25706 8208 1 19 . 1 1 50 50 MET N N 50 121.907 121.907 119.838 2.069 25706 8209 1 19 . 1 1 50 50 MET HA H 50 4.445 4.445 4.194 0.251 25706 8210 1 19 . 1 1 50 50 MET C C 50 175.456 175.456 174.641 0.815 25706 8211 1 19 . 1 1 50 50 MET CA C 50 55.951 55.951 55.592 0.359 25706 8212 1 19 . 1 1 50 50 MET CB C 50 33.967 33.967 31.610 2.357 25706 8213 1 19 . 1 1 50 50 MET H H 50 8.310 8.310 8.519 -0.209 25706 8214 1 19 . 1 1 51 51 ASP N N 51 122.904 122.904 119.849 3.055 25706 8215 1 19 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.571 0.070 25706 8216 1 19 . 1 1 51 51 ASP C C 51 176.239 176.239 177.252 -1.013 25706 8217 1 19 . 1 1 51 51 ASP CA C 51 53.511 53.511 54.041 -0.530 25706 8218 1 19 . 1 1 51 51 ASP CB C 51 41.513 41.513 42.704 -1.191 25706 8219 1 19 . 1 1 51 51 ASP H H 51 8.506 8.506 8.005 0.501 25706 8220 1 19 . 1 1 52 52 ALA N N 52 123.354 123.354 129.419 -6.065 25706 8221 1 19 . 1 1 52 52 ALA HA H 52 3.846 3.846 4.017 -0.171 25706 8222 1 19 . 1 1 52 52 ALA C C 52 178.517 178.517 179.191 -0.674 25706 8223 1 19 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.107 0.491 25706 8224 1 19 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.863 -0.246 25706 8225 1 19 . 1 1 52 52 ALA H H 52 8.506 8.506 8.696 -0.190 25706 8226 1 19 . 1 1 53 53 LYS N N 53 117.034 117.034 118.483 -1.449 25706 8227 1 19 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.019 -0.421 25706 8228 1 19 . 1 1 53 53 LYS C C 53 179.171 179.171 178.642 0.529 25706 8229 1 19 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.429 0.973 25706 8230 1 19 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.760 0.298 25706 8231 1 19 . 1 1 53 53 LYS H H 53 8.407 8.407 8.213 0.194 25706 8232 1 19 . 1 1 54 54 GLU N N 54 123.212 123.212 119.085 4.127 25706 8233 1 19 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.141 -0.068 25706 8234 1 19 . 1 1 54 54 GLU C C 54 178.526 178.526 178.866 -0.340 25706 8235 1 19 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.105 0.639 25706 8236 1 19 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.030 0.308 25706 8237 1 19 . 1 1 54 54 GLU H H 54 8.005 8.005 8.443 -0.438 25706 8238 1 19 . 1 1 55 55 ILE N N 55 119.567 119.567 120.771 -1.204 25706 8239 1 19 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.746 -0.317 25706 8240 1 19 . 1 1 55 55 ILE C C 55 177.999 177.999 178.222 -0.223 25706 8241 1 19 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.598 0.014 25706 8242 1 19 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.910 0.801 25706 8243 1 19 . 1 1 55 55 ILE H H 55 8.088 8.088 7.909 0.179 25706 8244 1 19 . 1 1 56 56 LEU N N 56 116.646 116.646 120.167 -3.521 25706 8245 1 19 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.171 -0.167 25706 8246 1 19 . 1 1 56 56 LEU C C 56 178.636 178.636 179.467 -0.831 25706 8247 1 19 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.047 0.016 25706 8248 1 19 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.438 2.506 25706 8249 1 19 . 1 1 56 56 LEU H H 56 8.477 8.477 8.570 -0.093 25706 8250 1 19 . 1 1 57 57 THR N N 57 117.148 117.148 116.271 0.877 25706 8251 1 19 . 1 1 57 57 THR HA H 57 3.833 3.833 3.924 -0.091 25706 8252 1 19 . 1 1 57 57 THR C C 57 175.836 175.836 176.864 -1.028 25706 8253 1 19 . 1 1 57 57 THR CA C 57 67.615 67.615 67.380 0.235 25706 8254 1 19 . 1 1 57 57 THR CB C 57 68.860 68.860 68.573 0.286 25706 8255 1 19 . 1 1 57 57 THR H H 57 8.260 8.260 8.499 -0.239 25706 8256 1 19 . 1 1 58 58 ARG N N 58 120.818 120.818 121.442 -0.624 25706 8257 1 19 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.048 0.200 25706 8258 1 19 . 1 1 58 58 ARG C C 58 179.476 179.476 178.285 1.191 25706 8259 1 19 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.657 -0.382 25706 8260 1 19 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.145 0.403 25706 8261 1 19 . 1 1 58 58 ARG H H 58 8.202 8.202 8.057 0.145 25706 8262 1 19 . 1 1 59 59 PHE N N 59 119.668 119.668 121.554 -1.886 25706 8263 1 19 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.487 0.261 25706 8264 1 19 . 1 1 59 59 PHE C C 59 178.260 178.260 177.243 1.017 25706 8265 1 19 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.179 0.098 25706 8266 1 19 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.221 -0.001 25706 8267 1 19 . 1 1 59 59 PHE H H 59 8.615 8.615 8.520 0.095 25706 8268 1 19 . 1 1 60 60 LYS N N 60 123.687 123.687 118.844 4.843 25706 8269 1 19 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.571 -0.084 25706 8270 1 19 . 1 1 60 60 LYS C C 60 177.801 177.801 178.194 -0.393 25706 8271 1 19 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.136 0.689 25706 8272 1 19 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.392 0.024 25706 8273 1 19 . 1 1 60 60 LYS H H 60 8.800 8.800 8.278 0.522 25706 8274 1 19 . 1 1 61 61 ASP N N 61 116.083 116.083 117.304 -1.221 25706 8275 1 19 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.424 0.169 25706 8276 1 19 . 1 1 61 61 ASP C C 61 177.052 177.052 176.861 0.191 25706 8277 1 19 . 1 1 61 61 ASP CA C 61 54.919 54.919 55.070 -0.151 25706 8278 1 19 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.084 -0.078 25706 8279 1 19 . 1 1 61 61 ASP H H 61 8.107 8.107 7.877 0.230 25706 8280 1 19 . 1 1 62 62 GLY N N 62 107.294 107.294 105.900 1.394 25706 8281 1 19 . 1 1 62 62 GLY C C 62 175.018 175.018 175.663 -0.645 25706 8282 1 19 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.052 0.333 25706 8283 1 19 . 1 1 62 62 GLY H H 62 7.625 7.625 7.460 0.165 25706 8284 1 19 . 1 1 63 63 GLY N N 63 109.718 109.718 108.648 1.070 25706 8285 1 19 . 1 1 63 63 GLY C C 63 173.393 173.393 174.130 -0.737 25706 8286 1 19 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.889 0.848 25706 8287 1 19 . 1 1 63 63 GLY H H 63 8.687 8.687 8.183 0.504 25706 8288 1 19 . 1 1 64 64 LEU N N 64 119.332 119.332 120.469 -1.137 25706 8289 1 19 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.745 -0.027 25706 8290 1 19 . 1 1 64 64 LEU C C 64 175.357 175.357 175.337 0.020 25706 8291 1 19 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.859 0.078 25706 8292 1 19 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.776 1.302 25706 8293 1 19 . 1 1 64 64 LEU H H 64 7.034 7.034 7.289 -0.255 25706 8294 1 19 . 1 1 65 65 ASP N N 65 121.569 121.569 124.930 -3.361 25706 8295 1 19 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.977 -0.184 25706 8296 1 19 . 1 1 65 65 ASP C C 65 175.652 175.652 177.504 -1.852 25706 8297 1 19 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.125 -1.248 25706 8298 1 19 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.422 -0.604 25706 8299 1 19 . 1 1 65 65 ASP H H 65 8.287 8.287 8.614 -0.327 25706 8300 1 19 . 1 1 66 66 ARG N N 66 120.199 120.199 122.650 -2.451 25706 8301 1 19 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.725 0.030 25706 8302 1 19 . 1 1 66 66 ARG C C 66 177.271 177.271 178.070 -0.799 25706 8303 1 19 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.461 1.103 25706 8304 1 19 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.355 0.494 25706 8305 1 19 . 1 1 66 66 ARG H H 66 8.860 8.860 8.967 -0.107 25706 8306 1 19 . 1 1 67 67 ALA N N 67 120.212 120.212 121.090 -0.878 25706 8307 1 19 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.186 -0.102 25706 8308 1 19 . 1 1 67 67 ALA C C 67 181.015 181.015 179.530 1.485 25706 8309 1 19 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.780 0.396 25706 8310 1 19 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.028 -0.187 25706 8311 1 19 . 1 1 67 67 ALA H H 67 8.339 8.339 8.531 -0.192 25706 8312 1 19 . 1 1 68 68 ALA N N 68 122.433 122.433 121.384 1.049 25706 8313 1 19 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.161 -0.006 25706 8314 1 19 . 1 1 68 68 ALA C C 68 180.071 180.071 179.496 0.575 25706 8315 1 19 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.574 0.376 25706 8316 1 19 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.218 1.029 25706 8317 1 19 . 1 1 68 68 ALA H H 68 8.184 8.184 8.221 -0.037 25706 8318 1 19 . 1 1 69 69 ALA N N 69 119.845 119.845 121.252 -1.407 25706 8319 1 19 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.856 -0.024 25706 8320 1 19 . 1 1 69 69 ALA C C 69 178.826 178.826 179.689 -0.863 25706 8321 1 19 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.075 0.455 25706 8322 1 19 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.801 0.176 25706 8323 1 19 . 1 1 69 69 ALA H H 69 8.511 8.511 8.466 0.045 25706 8324 1 19 . 1 1 70 70 GLN N N 70 116.137 116.137 118.372 -2.235 25706 8325 1 19 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.800 -0.200 25706 8326 1 19 . 1 1 70 70 GLN C C 70 177.832 177.832 178.454 -0.622 25706 8327 1 19 . 1 1 70 70 GLN CA C 70 60.050 60.050 59.014 1.036 25706 8328 1 19 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.534 -0.359 25706 8329 1 19 . 1 1 70 70 GLN H H 70 8.528 8.528 8.113 0.415 25706 8330 1 19 . 1 1 71 71 ALA N N 71 120.118 120.118 122.742 -2.624 25706 8331 1 19 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.982 0.081 25706 8332 1 19 . 1 1 71 71 ALA C C 71 180.495 180.495 179.448 1.047 25706 8333 1 19 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.213 -0.035 25706 8334 1 19 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.555 -0.659 25706 8335 1 19 . 1 1 71 71 ALA H H 71 7.625 7.625 7.770 -0.145 25706 8336 1 19 . 1 1 72 72 LEU N N 72 117.959 117.959 119.331 -1.372 25706 8337 1 19 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.334 -0.161 25706 8338 1 19 . 1 1 72 72 LEU C C 72 180.674 180.674 180.156 0.518 25706 8339 1 19 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.484 0.070 25706 8340 1 19 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.526 1.240 25706 8341 1 19 . 1 1 72 72 LEU H H 72 8.068 8.068 8.181 -0.113 25706 8342 1 19 . 1 1 73 73 LEU N N 73 119.237 119.237 118.836 0.401 25706 8343 1 19 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.000 0.114 25706 8344 1 19 . 1 1 73 73 LEU C C 73 177.691 177.691 178.167 -0.476 25706 8345 1 19 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.348 -0.624 25706 8346 1 19 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.716 0.873 25706 8347 1 19 . 1 1 73 73 LEU H H 73 8.251 8.251 8.184 0.067 25706 8348 1 19 . 1 1 74 74 ALA N N 74 120.421 120.421 116.960 3.461 25706 8349 1 19 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.253 0.035 25706 8350 1 19 . 1 1 74 74 ALA C C 74 178.222 178.222 178.055 0.167 25706 8351 1 19 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.259 0.602 25706 8352 1 19 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.078 0.120 25706 8353 1 19 . 1 1 74 74 ALA H H 74 7.765 7.765 7.599 0.166 25706 8354 1 19 . 1 1 75 75 GLY N N 75 106.485 106.485 107.100 -0.615 25706 8355 1 19 . 1 1 75 75 GLY C C 75 174.299 174.299 174.928 -0.629 25706 8356 1 19 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.374 0.413 25706 8357 1 19 . 1 1 75 75 GLY H H 75 7.895 7.895 7.620 0.276 25706 8358 1 19 . 1 1 76 76 ARG N N 76 119.703 119.703 118.939 0.764 25706 8359 1 19 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.641 -0.139 25706 8360 1 19 . 1 1 76 76 ARG C C 76 175.750 175.750 174.680 1.070 25706 8361 1 19 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.992 1.415 25706 8362 1 19 . 1 1 76 76 ARG CB C 76 31.303 31.303 31.535 -0.232 25706 8363 1 19 . 1 1 76 76 ARG H H 76 8.110 8.110 8.406 -0.296 25706 8364 1 19 . 1 1 77 77 THR N N 77 116.771 116.771 111.963 4.808 25706 8365 1 19 . 1 1 77 77 THR HA H 77 4.582 4.582 4.679 -0.097 25706 8366 1 19 . 1 1 77 77 THR CA C 77 59.920 59.920 58.913 1.007 25706 8367 1 19 . 1 1 77 77 THR CB C 77 69.810 69.810 68.887 0.923 25706 8368 1 19 . 1 1 77 77 THR H H 77 8.181 8.181 8.174 0.007 25706 8369 1 19 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.337 0.031 25706 8370 1 19 . 1 1 78 78 PRO C C 78 176.366 176.366 176.437 -0.071 25706 8371 1 19 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.835 0.319 25706 8372 1 19 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.113 -0.005 25706 8373 1 19 . 1 1 79 79 ALA N N 79 124.715 124.715 124.065 0.650 25706 8374 1 19 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.499 -0.253 25706 8375 1 19 . 1 1 79 79 ALA C C 79 177.314 177.314 176.919 0.395 25706 8376 1 19 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.798 0.600 25706 8377 1 19 . 1 1 79 79 ALA CB C 79 19.306 19.306 19.605 -0.299 25706 8378 1 19 . 1 1 79 79 ALA H H 79 8.417 8.417 8.276 0.141 25706 8379 1 19 . 1 1 80 80 ALA N N 80 123.467 123.467 123.457 0.010 25706 8380 1 19 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.534 -0.244 25706 8381 1 19 . 1 1 80 80 ALA C C 80 177.000 177.000 176.023 0.977 25706 8382 1 19 . 1 1 80 80 ALA CA C 80 52.010 52.010 51.764 0.245 25706 8383 1 19 . 1 1 80 80 ALA CB C 80 19.447 19.447 20.014 -0.567 25706 8384 1 19 . 1 1 80 80 ALA H H 80 8.232 8.232 8.317 -0.085 25706 8385 1 19 . 1 1 81 81 ALA N N 81 125.029 125.029 124.759 0.270 25706 8386 1 19 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.543 0.019 25706 8387 1 19 . 1 1 81 81 ALA CA C 81 50.431 50.431 50.950 -0.519 25706 8388 1 19 . 1 1 81 81 ALA CB C 81 19.480 19.480 18.902 0.578 25706 8389 1 19 . 1 1 81 81 ALA H H 81 8.250 8.250 8.174 0.076 25706 8390 1 19 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.492 -0.080 25706 8391 1 19 . 1 1 82 82 PRO C C 82 176.531 176.531 176.181 0.350 25706 8392 1 19 . 1 1 82 82 PRO CA C 82 62.998 62.998 63.214 -0.216 25706 8393 1 19 . 1 1 82 82 PRO CB C 82 32.083 32.083 32.065 0.018 25706 8394 1 19 . 1 1 83 83 ARG N N 83 122.956 122.956 120.150 2.806 25706 8395 1 19 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.730 -0.119 25706 8396 1 19 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.200 -0.422 25706 8397 1 19 . 1 1 83 83 ARG CB C 83 30.242 30.242 32.075 -1.833 25706 8398 1 19 . 1 1 83 83 ARG H H 83 8.384 8.384 7.881 0.503 25706 8399 1 20 . 1 1 2 2 PRO HA H 2 4.472 4.472 4.598 -0.126 25706 8400 1 20 . 1 1 2 2 PRO C C 2 177.459 177.459 177.237 0.222 25706 8401 1 20 . 1 1 2 2 PRO CA C 2 63.574 63.574 62.450 1.124 25706 8402 1 20 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.639 -0.492 25706 8403 1 20 . 1 1 3 3 GLY N N 3 109.882 109.882 107.834 2.048 25706 8404 1 20 . 1 1 3 3 GLY C C 3 174.103 174.103 174.480 -0.377 25706 8405 1 20 . 1 1 3 3 GLY CA C 3 45.272 45.272 45.553 -0.281 25706 8406 1 20 . 1 1 3 3 GLY H H 3 8.645 8.645 8.881 -0.236 25706 8407 1 20 . 1 1 4 4 SER N N 4 115.534 115.534 113.516 2.018 25706 8408 1 20 . 1 1 4 4 SER HA H 4 4.438 4.438 4.726 -0.288 25706 8409 1 20 . 1 1 4 4 SER C C 4 174.137 174.137 172.709 1.428 25706 8410 1 20 . 1 1 4 4 SER CA C 4 58.319 58.319 57.641 0.678 25706 8411 1 20 . 1 1 4 4 SER CB C 4 63.864 63.864 64.924 -1.060 25706 8412 1 20 . 1 1 4 4 SER H H 4 8.127 8.127 7.625 0.502 25706 8413 1 20 . 1 1 5 5 TYR N N 5 122.533 122.533 120.718 1.815 25706 8414 1 20 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.677 -0.007 25706 8415 1 20 . 1 1 5 5 TYR C C 5 176.109 176.109 174.831 1.278 25706 8416 1 20 . 1 1 5 5 TYR CA C 5 58.115 58.115 57.634 0.481 25706 8417 1 20 . 1 1 5 5 TYR CB C 5 38.855 38.855 40.728 -1.873 25706 8418 1 20 . 1 1 5 5 TYR H H 5 8.349 8.349 8.388 -0.039 25706 8419 1 20 . 1 1 6 6 THR N N 6 116.290 116.290 116.169 0.121 25706 8420 1 20 . 1 1 6 6 THR HA H 6 4.305 4.305 4.391 -0.086 25706 8421 1 20 . 1 1 6 6 THR C C 6 174.899 174.899 174.188 0.711 25706 8422 1 20 . 1 1 6 6 THR CA C 6 61.743 61.743 61.529 0.214 25706 8423 1 20 . 1 1 6 6 THR CB C 6 69.859 69.859 69.319 0.540 25706 8424 1 20 . 1 1 6 6 THR H H 6 8.177 8.177 7.447 0.730 25706 8425 1 20 . 1 1 7 7 GLY N N 7 110.576 110.576 111.686 -1.110 25706 8426 1 20 . 1 1 7 7 GLY C C 7 173.596 173.596 173.993 -0.397 25706 8427 1 20 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.458 0.889 25706 8428 1 20 . 1 1 7 7 GLY H H 7 7.646 7.646 8.423 -0.777 25706 8429 1 20 . 1 1 8 8 ALA N N 8 123.499 123.499 121.838 1.661 25706 8430 1 20 . 1 1 8 8 ALA HA H 8 4.355 4.355 3.969 0.386 25706 8431 1 20 . 1 1 8 8 ALA C C 8 178.119 178.119 177.637 0.482 25706 8432 1 20 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.399 0.148 25706 8433 1 20 . 1 1 8 8 ALA CB C 8 19.387 19.387 18.747 0.639 25706 8434 1 20 . 1 1 8 8 ALA H H 8 8.171 8.171 8.266 -0.095 25706 8435 1 20 . 1 1 9 9 GLY N N 9 108.467 108.467 106.969 1.498 25706 8436 1 20 . 1 1 9 9 GLY C C 9 173.664 173.664 173.431 0.233 25706 8437 1 20 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.597 0.532 25706 8438 1 20 . 1 1 9 9 GLY H H 9 8.398 8.398 8.286 0.112 25706 8439 1 20 . 1 1 10 10 GLU N N 10 121.535 121.535 121.874 -0.339 25706 8440 1 20 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.585 0.013 25706 8441 1 20 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.528 -0.276 25706 8442 1 20 . 1 1 10 10 GLU CB C 10 29.959 29.959 29.801 0.158 25706 8443 1 20 . 1 1 10 10 GLU H H 10 8.230 8.230 8.480 -0.250 25706 8444 1 20 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.529 -0.075 25706 8445 1 20 . 1 1 11 11 PRO C C 11 176.799 176.799 175.777 1.022 25706 8446 1 20 . 1 1 11 11 PRO CA C 11 63.302 63.302 63.160 0.142 25706 8447 1 20 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.239 -0.215 25706 8448 1 20 . 1 1 12 12 SER N N 12 117.122 117.122 116.166 0.956 25706 8449 1 20 . 1 1 12 12 SER HA H 12 4.469 4.469 4.662 -0.193 25706 8450 1 20 . 1 1 12 12 SER C C 12 174.904 174.904 175.681 -0.777 25706 8451 1 20 . 1 1 12 12 SER CA C 12 57.876 57.876 56.033 1.843 25706 8452 1 20 . 1 1 12 12 SER CB C 12 64.624 64.624 64.299 0.325 25706 8453 1 20 . 1 1 12 12 SER H H 12 8.721 8.721 8.415 0.306 25706 8454 1 20 . 1 1 13 13 GLN N N 13 121.678 121.678 127.121 -5.443 25706 8455 1 20 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.055 0.065 25706 8456 1 20 . 1 1 13 13 GLN C C 13 178.113 178.113 177.175 0.938 25706 8457 1 20 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.519 -0.662 25706 8458 1 20 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.289 0.453 25706 8459 1 20 . 1 1 13 13 GLN H H 13 8.660 8.660 9.176 -0.516 25706 8460 1 20 . 1 1 14 14 ALA N N 14 122.557 122.557 122.060 0.497 25706 8461 1 20 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.106 0.102 25706 8462 1 20 . 1 1 14 14 ALA C C 14 179.168 179.168 179.022 0.146 25706 8463 1 20 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.591 -0.528 25706 8464 1 20 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.259 0.715 25706 8465 1 20 . 1 1 14 14 ALA H H 14 8.251 8.251 7.754 0.497 25706 8466 1 20 . 1 1 15 15 ASP N N 15 120.191 120.191 119.775 0.416 25706 8467 1 20 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.498 -0.003 25706 8468 1 20 . 1 1 15 15 ASP C C 15 178.121 178.121 178.272 -0.151 25706 8469 1 20 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.520 -1.017 25706 8470 1 20 . 1 1 15 15 ASP CB C 15 40.585 40.585 41.006 -0.421 25706 8471 1 20 . 1 1 15 15 ASP H H 15 8.049 8.049 7.503 0.546 25706 8472 1 20 . 1 1 16 16 LEU N N 16 122.661 122.661 120.298 2.363 25706 8473 1 20 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.863 0.140 25706 8474 1 20 . 1 1 16 16 LEU C C 16 178.320 178.320 178.454 -0.134 25706 8475 1 20 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.031 -0.296 25706 8476 1 20 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.859 0.058 25706 8477 1 20 . 1 1 16 16 LEU H H 16 8.258 8.258 8.242 0.016 25706 8478 1 20 . 1 1 17 17 ASP N N 17 119.364 119.364 118.573 0.791 25706 8479 1 20 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.191 0.052 25706 8480 1 20 . 1 1 17 17 ASP C C 17 178.534 178.534 177.749 0.785 25706 8481 1 20 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.445 0.649 25706 8482 1 20 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.797 0.658 25706 8483 1 20 . 1 1 17 17 ASP H H 17 8.299 8.299 8.170 0.129 25706 8484 1 20 . 1 1 18 18 ALA N N 18 121.057 121.057 121.812 -0.755 25706 8485 1 20 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.151 -0.026 25706 8486 1 20 . 1 1 18 18 ALA C C 18 180.942 180.942 179.534 1.408 25706 8487 1 20 . 1 1 18 18 ALA CA C 18 54.947 54.947 55.022 -0.075 25706 8488 1 20 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.470 -0.253 25706 8489 1 20 . 1 1 18 18 ALA H H 18 7.851 7.851 7.418 0.433 25706 8490 1 20 . 1 1 19 19 LEU N N 19 122.159 122.159 119.563 2.596 25706 8491 1 20 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.097 -0.122 25706 8492 1 20 . 1 1 19 19 LEU C C 19 178.447 178.447 178.732 -0.285 25706 8493 1 20 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.542 1.272 25706 8494 1 20 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.242 0.131 25706 8495 1 20 . 1 1 19 19 LEU H H 19 7.941 7.941 7.518 0.423 25706 8496 1 20 . 1 1 20 20 LEU N N 20 119.065 119.065 119.420 -0.355 25706 8497 1 20 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.936 -0.226 25706 8498 1 20 . 1 1 20 20 LEU C C 20 179.763 179.763 179.101 0.662 25706 8499 1 20 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.209 0.188 25706 8500 1 20 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.399 -1.533 25706 8501 1 20 . 1 1 20 20 LEU H H 20 8.454 8.454 8.624 -0.170 25706 8502 1 20 . 1 1 21 21 SER N N 21 115.603 115.603 115.348 0.255 25706 8503 1 20 . 1 1 21 21 SER HA H 21 4.199 4.199 4.200 -0.001 25706 8504 1 20 . 1 1 21 21 SER C C 21 175.002 175.002 176.526 -1.524 25706 8505 1 20 . 1 1 21 21 SER CA C 21 62.502 62.502 61.647 0.855 25706 8506 1 20 . 1 1 21 21 SER CB C 21 62.806 62.806 63.126 -0.320 25706 8507 1 20 . 1 1 21 21 SER H H 21 8.248 8.248 8.160 0.088 25706 8508 1 20 . 1 1 22 22 ALA N N 22 123.437 123.437 124.333 -0.896 25706 8509 1 20 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.200 -0.134 25706 8510 1 20 . 1 1 22 22 ALA C C 22 180.273 180.273 179.176 1.097 25706 8511 1 20 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.929 0.558 25706 8512 1 20 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.581 -0.349 25706 8513 1 20 . 1 1 22 22 ALA H H 22 7.982 7.982 7.726 0.256 25706 8514 1 20 . 1 1 23 23 VAL N N 23 119.580 119.580 118.990 0.590 25706 8515 1 20 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.057 0.176 25706 8516 1 20 . 1 1 23 23 VAL C C 23 180.144 180.144 178.365 1.779 25706 8517 1 20 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.683 0.791 25706 8518 1 20 . 1 1 23 23 VAL CB C 23 32.211 32.211 32.145 0.066 25706 8519 1 20 . 1 1 23 23 VAL H H 23 8.382 8.382 7.994 0.388 25706 8520 1 20 . 1 1 24 24 ARG N N 24 122.585 122.585 120.131 2.454 25706 8521 1 20 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.144 -0.223 25706 8522 1 20 . 1 1 24 24 ARG C C 24 177.169 177.169 177.356 -0.187 25706 8523 1 20 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.475 1.039 25706 8524 1 20 . 1 1 24 24 ARG CB C 24 29.895 29.895 29.976 -0.081 25706 8525 1 20 . 1 1 24 24 ARG H H 24 8.589 8.589 7.833 0.756 25706 8526 1 20 . 1 1 25 25 ASP N N 25 115.538 115.538 116.959 -1.421 25706 8527 1 20 . 1 1 25 25 ASP C C 25 175.579 175.579 175.820 -0.241 25706 8528 1 20 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.182 1.171 25706 8529 1 20 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.821 -0.106 25706 8530 1 20 . 1 1 25 25 ASP H H 25 8.083 8.083 7.703 0.380 25706 8531 1 20 . 1 1 26 26 ASN N N 26 113.668 113.668 116.818 -3.150 25706 8532 1 20 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.516 -0.024 25706 8533 1 20 . 1 1 26 26 ASN C C 26 174.953 174.953 175.633 -0.680 25706 8534 1 20 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.443 0.780 25706 8535 1 20 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.630 -0.180 25706 8536 1 20 . 1 1 26 26 ASN H H 26 7.860 7.860 7.858 0.002 25706 8537 1 20 . 1 1 27 27 ARG N N 27 117.078 117.078 116.231 0.847 25706 8538 1 20 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.324 -0.021 25706 8539 1 20 . 1 1 27 27 ARG C C 27 176.011 176.011 176.793 -0.782 25706 8540 1 20 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.618 0.964 25706 8541 1 20 . 1 1 27 27 ARG CB C 27 31.374 31.374 30.746 0.628 25706 8542 1 20 . 1 1 27 27 ARG H H 27 8.700 8.700 8.388 0.312 25706 8543 1 20 . 1 1 28 28 LEU N N 28 119.538 119.538 120.699 -1.161 25706 8544 1 20 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.753 -0.127 25706 8545 1 20 . 1 1 28 28 LEU C C 28 175.563 175.563 175.351 0.212 25706 8546 1 20 . 1 1 28 28 LEU CA C 28 53.403 53.403 52.987 0.416 25706 8547 1 20 . 1 1 28 28 LEU CB C 28 46.720 46.720 44.979 1.741 25706 8548 1 20 . 1 1 28 28 LEU H H 28 7.101 7.101 7.769 -0.668 25706 8549 1 20 . 1 1 29 29 SER N N 29 119.714 119.714 114.853 4.861 25706 8550 1 20 . 1 1 29 29 SER HA H 29 4.512 4.512 4.711 -0.199 25706 8551 1 20 . 1 1 29 29 SER C C 29 174.769 174.769 175.355 -0.586 25706 8552 1 20 . 1 1 29 29 SER CA C 29 56.883 56.883 56.828 0.055 25706 8553 1 20 . 1 1 29 29 SER CB C 29 65.067 65.067 65.902 -0.835 25706 8554 1 20 . 1 1 29 29 SER H H 29 8.885 8.885 8.363 0.522 25706 8555 1 20 . 1 1 30 30 ILE N N 30 121.990 121.990 123.933 -1.943 25706 8556 1 20 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.728 -0.164 25706 8557 1 20 . 1 1 30 30 ILE C C 30 177.419 177.419 178.033 -0.614 25706 8558 1 20 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.859 0.847 25706 8559 1 20 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.354 -0.222 25706 8560 1 20 . 1 1 30 30 ILE H H 30 8.953 8.953 8.852 0.101 25706 8561 1 20 . 1 1 31 31 GLU N N 31 117.222 117.222 117.426 -0.204 25706 8562 1 20 . 1 1 31 31 GLU HA H 31 3.863 3.863 3.970 -0.107 25706 8563 1 20 . 1 1 31 31 GLU C C 31 179.559 179.559 178.829 0.730 25706 8564 1 20 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.257 1.257 25706 8565 1 20 . 1 1 31 31 GLU CB C 31 29.046 29.046 29.245 -0.199 25706 8566 1 20 . 1 1 31 31 GLU H H 31 8.669 8.669 8.689 -0.020 25706 8567 1 20 . 1 1 32 32 GLN N N 32 118.595 118.595 118.728 -0.133 25706 8568 1 20 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.179 -0.134 25706 8569 1 20 . 1 1 32 32 GLN C C 32 179.113 179.113 178.307 0.806 25706 8570 1 20 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.076 0.425 25706 8571 1 20 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.277 1.009 25706 8572 1 20 . 1 1 32 32 GLN H H 32 7.949 7.949 7.501 0.448 25706 8573 1 20 . 1 1 33 33 ALA N N 33 123.062 123.062 122.638 0.424 25706 8574 1 20 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.106 -0.193 25706 8575 1 20 . 1 1 33 33 ALA C C 33 178.918 178.918 179.794 -0.876 25706 8576 1 20 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.232 0.306 25706 8577 1 20 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.338 0.808 25706 8578 1 20 . 1 1 33 33 ALA H H 33 8.520 8.520 8.508 0.012 25706 8579 1 20 . 1 1 34 34 VAL N N 34 115.551 115.551 118.278 -2.727 25706 8580 1 20 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.719 -0.336 25706 8581 1 20 . 1 1 34 34 VAL C C 34 179.013 179.013 178.082 0.931 25706 8582 1 20 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.781 0.250 25706 8583 1 20 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.578 -0.003 25706 8584 1 20 . 1 1 34 34 VAL H H 34 8.469 8.469 7.721 0.748 25706 8585 1 20 . 1 1 35 35 THR N N 35 114.806 114.806 115.165 -0.359 25706 8586 1 20 . 1 1 35 35 THR HA H 35 4.012 4.012 4.119 -0.107 25706 8587 1 20 . 1 1 35 35 THR C C 35 176.151 176.151 175.862 0.289 25706 8588 1 20 . 1 1 35 35 THR CA C 35 65.944 65.944 65.784 0.160 25706 8589 1 20 . 1 1 35 35 THR CB C 35 68.902 68.902 68.885 0.017 25706 8590 1 20 . 1 1 35 35 THR H H 35 7.598 7.598 7.612 -0.014 25706 8591 1 20 . 1 1 36 36 LEU N N 36 120.922 120.922 119.170 1.752 25706 8592 1 20 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.261 -0.078 25706 8593 1 20 . 1 1 36 36 LEU C C 36 177.940 177.940 178.703 -0.763 25706 8594 1 20 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.621 -0.011 25706 8595 1 20 . 1 1 36 36 LEU CB C 36 42.277 42.277 41.955 0.322 25706 8596 1 20 . 1 1 36 36 LEU H H 36 7.516 7.516 7.538 -0.022 25706 8597 1 20 . 1 1 37 37 LEU N N 37 118.066 118.066 120.466 -2.400 25706 8598 1 20 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.314 0.023 25706 8599 1 20 . 1 1 37 37 LEU C C 37 177.013 177.013 176.426 0.587 25706 8600 1 20 . 1 1 37 37 LEU CA C 37 54.877 54.877 55.897 -1.020 25706 8601 1 20 . 1 1 37 37 LEU CB C 37 43.021 43.021 42.559 0.462 25706 8602 1 20 . 1 1 37 37 LEU H H 37 7.444 7.444 8.039 -0.595 25706 8603 1 20 . 1 1 38 38 THR N N 38 116.689 116.689 114.169 2.520 25706 8604 1 20 . 1 1 38 38 THR HA H 38 4.469 4.469 4.086 0.383 25706 8605 1 20 . 1 1 38 38 THR CA C 38 61.736 61.736 62.176 -0.440 25706 8606 1 20 . 1 1 38 38 THR CB C 38 69.544 69.544 67.850 1.694 25706 8607 1 20 . 1 1 38 38 THR H H 38 7.925 7.925 8.178 -0.253 25706 8608 1 20 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.432 0.041 25706 8609 1 20 . 1 1 39 39 PRO C C 39 177.055 177.055 176.403 0.652 25706 8610 1 20 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.948 0.557 25706 8611 1 20 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.249 -0.109 25706 8612 1 20 . 1 1 40 40 ARG N N 40 120.701 120.701 122.112 -1.411 25706 8613 1 20 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.602 -0.295 25706 8614 1 20 . 1 1 40 40 ARG C C 40 176.527 176.527 175.824 0.703 25706 8615 1 20 . 1 1 40 40 ARG CA C 40 56.307 56.307 54.932 1.375 25706 8616 1 20 . 1 1 40 40 ARG CB C 40 30.797 30.797 32.048 -1.252 25706 8617 1 20 . 1 1 40 40 ARG H H 40 8.384 8.384 8.486 -0.102 25706 8618 1 20 . 1 1 41 41 ARG N N 41 121.467 121.467 123.619 -2.152 25706 8619 1 20 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.391 -0.010 25706 8620 1 20 . 1 1 41 41 ARG C C 41 176.791 176.791 177.330 -0.539 25706 8621 1 20 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.145 0.082 25706 8622 1 20 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.869 -0.000 25706 8623 1 20 . 1 1 41 41 ARG H H 41 8.367 8.367 8.676 -0.309 25706 8624 1 20 . 1 1 42 42 GLY N N 42 110.418 110.418 110.078 0.340 25706 8625 1 20 . 1 1 42 42 GLY CA C 42 45.347 45.347 45.246 0.101 25706 8626 1 20 . 1 1 42 42 GLY H H 42 8.538 8.538 8.825 -0.287 25706 8627 1 20 . 1 1 44 44 GLY C C 44 174.487 174.487 174.817 -0.330 25706 8628 1 20 . 1 1 45 45 SER N N 45 115.788 115.788 114.037 1.751 25706 8629 1 20 . 1 1 45 45 SER HA H 45 4.515 4.515 4.647 -0.132 25706 8630 1 20 . 1 1 45 45 SER C C 45 175.337 175.337 174.709 0.628 25706 8631 1 20 . 1 1 45 45 SER CA C 45 58.590 58.590 57.359 1.231 25706 8632 1 20 . 1 1 45 45 SER CB C 45 63.920 63.920 64.084 -0.164 25706 8633 1 20 . 1 1 45 45 SER H H 45 8.422 8.422 7.725 0.697 25706 8634 1 20 . 1 1 46 46 GLY N N 46 111.003 111.003 110.828 0.175 25706 8635 1 20 . 1 1 46 46 GLY C C 46 174.837 174.837 173.040 1.797 25706 8636 1 20 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.849 0.648 25706 8637 1 20 . 1 1 46 46 GLY H H 46 8.600 8.600 8.484 0.116 25706 8638 1 20 . 1 1 47 47 GLY N N 47 108.933 108.933 106.798 2.135 25706 8639 1 20 . 1 1 47 47 GLY C C 47 174.864 174.864 175.094 -0.230 25706 8640 1 20 . 1 1 47 47 GLY H H 47 8.398 8.398 8.126 0.272 25706 8641 1 20 . 1 1 48 48 GLY N N 48 108.905 108.905 106.805 2.100 25706 8642 1 20 . 1 1 48 48 GLY C C 48 174.496 174.496 174.196 0.300 25706 8643 1 20 . 1 1 48 48 GLY H H 48 8.418 8.418 8.562 -0.144 25706 8644 1 20 . 1 1 49 49 SER N N 49 115.575 115.575 115.174 0.401 25706 8645 1 20 . 1 1 49 49 SER HA H 49 4.439 4.439 4.844 -0.405 25706 8646 1 20 . 1 1 49 49 SER C C 49 174.539 174.539 174.226 0.313 25706 8647 1 20 . 1 1 49 49 SER CA C 49 58.826 58.826 57.510 1.316 25706 8648 1 20 . 1 1 49 49 SER CB C 49 64.100 64.100 65.111 -1.011 25706 8649 1 20 . 1 1 49 49 SER H H 49 8.292 8.292 7.586 0.706 25706 8650 1 20 . 1 1 50 50 MET N N 50 121.907 121.907 121.420 0.487 25706 8651 1 20 . 1 1 50 50 MET HA H 50 4.445 4.445 4.005 0.440 25706 8652 1 20 . 1 1 50 50 MET C C 50 175.456 175.456 175.254 0.202 25706 8653 1 20 . 1 1 50 50 MET CA C 50 55.951 55.951 56.209 -0.258 25706 8654 1 20 . 1 1 50 50 MET CB C 50 33.967 33.967 30.547 3.420 25706 8655 1 20 . 1 1 50 50 MET H H 50 8.310 8.310 9.512 -1.202 25706 8656 1 20 . 1 1 51 51 ASP N N 51 122.904 122.904 119.430 3.474 25706 8657 1 20 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.698 -0.057 25706 8658 1 20 . 1 1 51 51 ASP C C 51 176.239 176.239 177.588 -1.349 25706 8659 1 20 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.220 0.291 25706 8660 1 20 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.227 -1.714 25706 8661 1 20 . 1 1 51 51 ASP H H 51 8.506 8.506 7.685 0.821 25706 8662 1 20 . 1 1 52 52 ALA N N 52 123.354 123.354 126.160 -2.806 25706 8663 1 20 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.875 -0.029 25706 8664 1 20 . 1 1 52 52 ALA C C 52 178.517 178.517 179.104 -0.587 25706 8665 1 20 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.539 0.059 25706 8666 1 20 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.809 -0.192 25706 8667 1 20 . 1 1 52 52 ALA H H 52 8.506 8.506 8.916 -0.410 25706 8668 1 20 . 1 1 53 53 LYS N N 53 117.034 117.034 119.114 -2.080 25706 8669 1 20 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.004 -0.406 25706 8670 1 20 . 1 1 53 53 LYS C C 53 179.171 179.171 178.459 0.712 25706 8671 1 20 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.426 0.976 25706 8672 1 20 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.980 0.078 25706 8673 1 20 . 1 1 53 53 LYS H H 53 8.407 8.407 8.710 -0.303 25706 8674 1 20 . 1 1 54 54 GLU N N 54 123.212 123.212 119.555 3.657 25706 8675 1 20 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.121 -0.048 25706 8676 1 20 . 1 1 54 54 GLU C C 54 178.526 178.526 179.077 -0.551 25706 8677 1 20 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.404 0.340 25706 8678 1 20 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.344 -0.006 25706 8679 1 20 . 1 1 54 54 GLU H H 54 8.005 8.005 7.675 0.330 25706 8680 1 20 . 1 1 55 55 ILE N N 55 119.567 119.567 121.177 -1.610 25706 8681 1 20 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.729 -0.300 25706 8682 1 20 . 1 1 55 55 ILE C C 55 177.999 177.999 178.341 -0.342 25706 8683 1 20 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.608 0.004 25706 8684 1 20 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.918 0.793 25706 8685 1 20 . 1 1 55 55 ILE H H 55 8.088 8.088 8.338 -0.250 25706 8686 1 20 . 1 1 56 56 LEU N N 56 116.646 116.646 120.029 -3.383 25706 8687 1 20 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.175 -0.171 25706 8688 1 20 . 1 1 56 56 LEU C C 56 178.636 178.636 179.435 -0.799 25706 8689 1 20 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.069 -0.005 25706 8690 1 20 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.515 2.429 25706 8691 1 20 . 1 1 56 56 LEU H H 56 8.477 8.477 8.559 -0.082 25706 8692 1 20 . 1 1 57 57 THR N N 57 117.148 117.148 116.319 0.829 25706 8693 1 20 . 1 1 57 57 THR HA H 57 3.833 3.833 3.924 -0.091 25706 8694 1 20 . 1 1 57 57 THR C C 57 175.836 175.836 176.948 -1.112 25706 8695 1 20 . 1 1 57 57 THR CA C 57 67.615 67.615 67.371 0.244 25706 8696 1 20 . 1 1 57 57 THR CB C 57 68.860 68.860 68.602 0.258 25706 8697 1 20 . 1 1 57 57 THR H H 57 8.260 8.260 8.315 -0.055 25706 8698 1 20 . 1 1 58 58 ARG N N 58 120.818 120.818 121.444 -0.626 25706 8699 1 20 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.080 0.168 25706 8700 1 20 . 1 1 58 58 ARG C C 58 179.476 179.476 178.512 0.964 25706 8701 1 20 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.423 -0.148 25706 8702 1 20 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.199 0.349 25706 8703 1 20 . 1 1 58 58 ARG H H 58 8.202 8.202 8.333 -0.131 25706 8704 1 20 . 1 1 59 59 PHE N N 59 119.668 119.668 121.940 -2.272 25706 8705 1 20 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.516 0.232 25706 8706 1 20 . 1 1 59 59 PHE C C 59 178.260 178.260 177.149 1.111 25706 8707 1 20 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.581 -0.304 25706 8708 1 20 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.209 0.011 25706 8709 1 20 . 1 1 59 59 PHE H H 59 8.615 8.615 8.637 -0.022 25706 8710 1 20 . 1 1 60 60 LYS N N 60 123.687 123.687 118.925 4.762 25706 8711 1 20 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.723 -0.236 25706 8712 1 20 . 1 1 60 60 LYS C C 60 177.801 177.801 178.194 -0.393 25706 8713 1 20 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.062 0.763 25706 8714 1 20 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.250 0.166 25706 8715 1 20 . 1 1 60 60 LYS H H 60 8.800 8.800 8.352 0.448 25706 8716 1 20 . 1 1 61 61 ASP N N 61 116.083 116.083 116.503 -0.420 25706 8717 1 20 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.495 0.098 25706 8718 1 20 . 1 1 61 61 ASP C C 61 177.052 177.052 177.254 -0.202 25706 8719 1 20 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.426 0.493 25706 8720 1 20 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.337 -0.331 25706 8721 1 20 . 1 1 61 61 ASP H H 61 8.107 8.107 7.887 0.220 25706 8722 1 20 . 1 1 62 62 GLY N N 62 107.294 107.294 107.007 0.287 25706 8723 1 20 . 1 1 62 62 GLY C C 62 175.018 175.018 175.605 -0.587 25706 8724 1 20 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.199 0.186 25706 8725 1 20 . 1 1 62 62 GLY H H 62 7.625 7.625 7.838 -0.213 25706 8726 1 20 . 1 1 63 63 GLY N N 63 109.718 109.718 108.346 1.372 25706 8727 1 20 . 1 1 63 63 GLY C C 63 173.393 173.393 174.226 -0.833 25706 8728 1 20 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.995 0.742 25706 8729 1 20 . 1 1 63 63 GLY H H 63 8.687 8.687 8.142 0.545 25706 8730 1 20 . 1 1 64 64 LEU N N 64 119.332 119.332 120.603 -1.271 25706 8731 1 20 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.697 0.021 25706 8732 1 20 . 1 1 64 64 LEU C C 64 175.357 175.357 175.236 0.121 25706 8733 1 20 . 1 1 64 64 LEU CA C 64 53.937 53.937 54.314 -0.377 25706 8734 1 20 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.414 1.663 25706 8735 1 20 . 1 1 64 64 LEU H H 64 7.034 7.034 7.337 -0.303 25706 8736 1 20 . 1 1 65 65 ASP N N 65 121.569 121.569 124.868 -3.299 25706 8737 1 20 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.903 -0.110 25706 8738 1 20 . 1 1 65 65 ASP C C 65 175.652 175.652 177.414 -1.762 25706 8739 1 20 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.221 -1.344 25706 8740 1 20 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.971 -1.153 25706 8741 1 20 . 1 1 65 65 ASP H H 65 8.287 8.287 8.649 -0.362 25706 8742 1 20 . 1 1 66 66 ARG N N 66 120.199 120.199 123.046 -2.847 25706 8743 1 20 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.920 -0.165 25706 8744 1 20 . 1 1 66 66 ARG C C 66 177.271 177.271 177.828 -0.557 25706 8745 1 20 . 1 1 66 66 ARG CA C 66 60.564 60.564 60.070 0.494 25706 8746 1 20 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.290 0.559 25706 8747 1 20 . 1 1 66 66 ARG H H 66 8.860 8.860 8.964 -0.104 25706 8748 1 20 . 1 1 67 67 ALA N N 67 120.212 120.212 120.173 0.039 25706 8749 1 20 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.131 -0.047 25706 8750 1 20 . 1 1 67 67 ALA C C 67 181.015 181.015 179.487 1.528 25706 8751 1 20 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.893 0.283 25706 8752 1 20 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.037 -0.196 25706 8753 1 20 . 1 1 67 67 ALA H H 67 8.339 8.339 8.504 -0.165 25706 8754 1 20 . 1 1 68 68 ALA N N 68 122.433 122.433 121.045 1.388 25706 8755 1 20 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.134 0.021 25706 8756 1 20 . 1 1 68 68 ALA C C 68 180.071 180.071 179.466 0.605 25706 8757 1 20 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.463 0.487 25706 8758 1 20 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.238 1.009 25706 8759 1 20 . 1 1 68 68 ALA H H 68 8.184 8.184 7.636 0.548 25706 8760 1 20 . 1 1 69 69 ALA N N 69 119.845 119.845 121.397 -1.552 25706 8761 1 20 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.878 -0.046 25706 8762 1 20 . 1 1 69 69 ALA C C 69 178.826 178.826 179.762 -0.936 25706 8763 1 20 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.142 0.387 25706 8764 1 20 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.912 0.065 25706 8765 1 20 . 1 1 69 69 ALA H H 69 8.511 8.511 8.510 0.001 25706 8766 1 20 . 1 1 70 70 GLN N N 70 116.137 116.137 118.224 -2.087 25706 8767 1 20 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.821 -0.221 25706 8768 1 20 . 1 1 70 70 GLN C C 70 177.832 177.832 178.449 -0.617 25706 8769 1 20 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.959 1.091 25706 8770 1 20 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.605 -0.430 25706 8771 1 20 . 1 1 70 70 GLN H H 70 8.528 8.528 8.231 0.297 25706 8772 1 20 . 1 1 71 71 ALA N N 71 120.118 120.118 123.116 -2.998 25706 8773 1 20 . 1 1 71 71 ALA HA H 71 4.063 4.063 3.991 0.072 25706 8774 1 20 . 1 1 71 71 ALA C C 71 180.495 180.495 179.569 0.926 25706 8775 1 20 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.298 -0.120 25706 8776 1 20 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.530 -0.634 25706 8777 1 20 . 1 1 71 71 ALA H H 71 7.625 7.625 7.753 -0.128 25706 8778 1 20 . 1 1 72 72 LEU N N 72 117.959 117.959 118.989 -1.030 25706 8779 1 20 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.200 -0.027 25706 8780 1 20 . 1 1 72 72 LEU C C 72 180.674 180.674 179.534 1.140 25706 8781 1 20 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.360 0.194 25706 8782 1 20 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.563 1.204 25706 8783 1 20 . 1 1 72 72 LEU H H 72 8.068 8.068 8.178 -0.110 25706 8784 1 20 . 1 1 73 73 LEU N N 73 119.237 119.237 118.281 0.956 25706 8785 1 20 . 1 1 73 73 LEU HA H 73 4.114 4.114 3.882 0.232 25706 8786 1 20 . 1 1 73 73 LEU C C 73 177.691 177.691 178.531 -0.840 25706 8787 1 20 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.338 -0.614 25706 8788 1 20 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.682 0.907 25706 8789 1 20 . 1 1 73 73 LEU H H 73 8.251 8.251 8.031 0.220 25706 8790 1 20 . 1 1 74 74 ALA N N 74 120.421 120.421 116.648 3.773 25706 8791 1 20 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.236 0.052 25706 8792 1 20 . 1 1 74 74 ALA C C 74 178.222 178.222 177.878 0.344 25706 8793 1 20 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.249 0.612 25706 8794 1 20 . 1 1 74 74 ALA CB C 74 19.198 19.198 18.879 0.319 25706 8795 1 20 . 1 1 74 74 ALA H H 74 7.765 7.765 7.750 0.015 25706 8796 1 20 . 1 1 75 75 GLY N N 75 106.485 106.485 106.809 -0.324 25706 8797 1 20 . 1 1 75 75 GLY C C 75 174.299 174.299 174.801 -0.502 25706 8798 1 20 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.412 0.375 25706 8799 1 20 . 1 1 75 75 GLY H H 75 7.895 7.895 7.480 0.415 25706 8800 1 20 . 1 1 76 76 ARG N N 76 119.703 119.703 119.184 0.519 25706 8801 1 20 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.746 -0.244 25706 8802 1 20 . 1 1 76 76 ARG C C 76 175.750 175.750 175.267 0.483 25706 8803 1 20 . 1 1 76 76 ARG CA C 76 55.407 55.407 53.898 1.509 25706 8804 1 20 . 1 1 76 76 ARG CB C 76 31.303 31.303 33.026 -1.723 25706 8805 1 20 . 1 1 76 76 ARG H H 76 8.110 8.110 8.039 0.071 25706 8806 1 20 . 1 1 77 77 THR N N 77 116.771 116.771 114.099 2.672 25706 8807 1 20 . 1 1 77 77 THR HA H 77 4.582 4.582 4.382 0.200 25706 8808 1 20 . 1 1 77 77 THR CA C 77 59.920 59.920 60.255 -0.335 25706 8809 1 20 . 1 1 77 77 THR CB C 77 69.810 69.810 68.850 0.960 25706 8810 1 20 . 1 1 77 77 THR H H 77 8.181 8.181 8.321 -0.140 25706 8811 1 20 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.216 0.152 25706 8812 1 20 . 1 1 78 78 PRO C C 78 176.366 176.366 176.667 -0.301 25706 8813 1 20 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.826 0.328 25706 8814 1 20 . 1 1 78 78 PRO CB C 78 32.108 32.108 31.845 0.263 25706 8815 1 20 . 1 1 79 79 ALA N N 79 124.715 124.715 120.750 3.965 25706 8816 1 20 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.095 0.151 25706 8817 1 20 . 1 1 79 79 ALA C C 79 177.314 177.314 176.696 0.618 25706 8818 1 20 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.754 0.644 25706 8819 1 20 . 1 1 79 79 ALA CB C 79 19.306 19.306 18.383 0.923 25706 8820 1 20 . 1 1 79 79 ALA H H 79 8.417 8.417 7.976 0.441 25706 8821 1 20 . 1 1 80 80 ALA N N 80 123.467 123.467 122.491 0.976 25706 8822 1 20 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.259 0.031 25706 8823 1 20 . 1 1 80 80 ALA C C 80 177.000 177.000 177.798 -0.798 25706 8824 1 20 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.133 -0.123 25706 8825 1 20 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.195 0.252 25706 8826 1 20 . 1 1 80 80 ALA H H 80 8.232 8.232 8.330 -0.098 25706 8827 1 20 . 1 1 81 81 ALA N N 81 125.029 125.029 122.237 2.792 25706 8828 1 20 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.261 0.301 25706 8829 1 20 . 1 1 81 81 ALA CA C 81 50.431 50.431 52.042 -1.611 25706 8830 1 20 . 1 1 81 81 ALA CB C 81 19.480 19.480 17.734 1.746 25706 8831 1 20 . 1 1 81 81 ALA H H 81 8.250 8.250 8.293 -0.043 25706 8832 1 20 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.629 -0.217 25706 8833 1 20 . 1 1 82 82 PRO C C 82 176.531 176.531 175.458 1.073 25706 8834 1 20 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.867 0.131 25706 8835 1 20 . 1 1 82 82 PRO CB C 82 32.083 32.083 30.042 2.041 25706 8836 1 20 . 1 1 83 83 ARG N N 83 122.956 122.956 120.626 2.330 25706 8837 1 20 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.780 -0.169 25706 8838 1 20 . 1 1 83 83 ARG CA C 83 53.778 53.778 53.655 0.123 25706 8839 1 20 . 1 1 83 83 ARG CB C 83 30.242 30.242 30.118 0.124 25706 8840 1 20 . 1 1 83 83 ARG H H 83 8.384 8.384 7.855 0.529 25706 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 75 2.257 0.006 2.272 25706 2 1 1 "Average Difference" HA 85 0.221 -0.012 0.222 25706 3 1 1 "Average Difference" C 75 0.849 -0.044 0.853 25706 4 1 1 "Average Difference" CA 78 0.855 -0.295 0.808 25706 5 1 1 "Average Difference" CB 70 0.834 -0.253 0.800 25706 6 1 1 "Average Difference" HN 75 0.416 -0.081 0.411 25706 7 1 2 "Average Difference" N 75 2.070 -0.107 2.081 25706 8 1 2 "Average Difference" HA 85 0.209 -0.019 0.210 25706 9 1 2 "Average Difference" C 75 0.758 -0.032 0.762 25706 10 1 2 "Average Difference" CA 78 0.735 -0.314 0.669 25706 11 1 2 "Average Difference" CB 70 1.100 -0.338 1.054 25706 12 1 2 "Average Difference" HN 75 0.397 -0.181 0.356 25706 13 1 3 "Average Difference" N 75 1.957 -0.059 1.969 25706 14 1 3 "Average Difference" HA 85 0.195 0.032 0.194 25706 15 1 3 "Average Difference" C 75 0.827 -0.093 0.827 25706 16 1 3 "Average Difference" CA 78 0.824 -0.243 0.792 25706 17 1 3 "Average Difference" CB 70 0.961 -0.140 0.958 25706 18 1 3 "Average Difference" HN 75 0.369 -0.065 0.366 25706 19 1 4 "Average Difference" N 75 1.965 -0.221 1.966 25706 20 1 4 "Average Difference" HA 85 0.213 0.017 0.214 25706 21 1 4 "Average Difference" C 75 0.832 -0.175 0.819 25706 22 1 4 "Average Difference" CA 78 0.818 -0.335 0.751 25706 23 1 4 "Average Difference" CB 70 0.891 -0.156 0.883 25706 24 1 4 "Average Difference" HN 75 0.367 -0.118 0.350 25706 25 1 5 "Average Difference" N 75 1.961 0.042 1.974 25706 26 1 5 "Average Difference" HA 85 0.226 0.003 0.227 25706 27 1 5 "Average Difference" C 75 0.826 -0.065 0.829 25706 28 1 5 "Average Difference" CA 78 0.702 -0.205 0.676 25706 29 1 5 "Average Difference" CB 70 0.875 -0.252 0.844 25706 30 1 5 "Average Difference" HN 75 0.348 -0.068 0.343 25706 31 1 6 "Average Difference" N 75 1.898 -0.051 1.910 25706 32 1 6 "Average Difference" HA 85 0.193 0.019 0.193 25706 33 1 6 "Average Difference" C 75 0.846 -0.119 0.844 25706 34 1 6 "Average Difference" CA 78 0.729 -0.314 0.662 25706 35 1 6 "Average Difference" CB 70 0.909 -0.173 0.899 25706 36 1 6 "Average Difference" HN 75 0.374 -0.074 0.369 25706 37 1 7 "Average Difference" N 75 2.258 -0.225 2.262 25706 38 1 7 "Average Difference" HA 85 0.233 0.018 0.233 25706 39 1 7 "Average Difference" C 75 0.799 -0.019 0.804 25706 40 1 7 "Average Difference" CA 78 0.791 -0.177 0.776 25706 41 1 7 "Average Difference" CB 70 0.978 -0.239 0.955 25706 42 1 7 "Average Difference" HN 75 0.381 -0.080 0.375 25706 43 1 8 "Average Difference" N 75 2.050 -0.174 2.057 25706 44 1 8 "Average Difference" HA 85 0.191 0.025 0.191 25706 45 1 8 "Average Difference" C 75 0.780 -0.112 0.777 25706 46 1 8 "Average Difference" CA 78 0.753 -0.286 0.702 25706 47 1 8 "Average Difference" CB 70 0.819 -0.185 0.803 25706 48 1 8 "Average Difference" HN 75 0.352 -0.089 0.343 25706 49 1 9 "Average Difference" N 75 1.934 0.258 1.930 25706 50 1 9 "Average Difference" HA 85 0.188 0.023 0.188 25706 51 1 9 "Average Difference" C 75 0.853 -0.141 0.847 25706 52 1 9 "Average Difference" CA 78 0.723 -0.274 0.673 25706 53 1 9 "Average Difference" CB 70 0.969 -0.136 0.967 25706 54 1 9 "Average Difference" HN 75 0.361 -0.055 0.359 25706 55 1 10 "Average Difference" N 75 2.065 -0.156 2.073 25706 56 1 10 "Average Difference" HA 85 0.239 -0.006 0.240 25706 57 1 10 "Average Difference" C 75 0.822 -0.125 0.818 25706 58 1 10 "Average Difference" CA 78 0.804 -0.202 0.783 25706 59 1 10 "Average Difference" CB 70 1.023 -0.213 1.008 25706 60 1 10 "Average Difference" HN 75 0.344 -0.056 0.341 25706 61 1 11 "Average Difference" N 75 1.950 -0.059 1.962 25706 62 1 11 "Average Difference" HA 85 0.214 0.020 0.215 25706 63 1 11 "Average Difference" C 75 0.816 -0.130 0.811 25706 64 1 11 "Average Difference" CA 78 0.831 -0.281 0.787 25706 65 1 11 "Average Difference" CB 70 0.860 -0.206 0.842 25706 66 1 11 "Average Difference" HN 75 0.409 -0.119 0.394 25706 67 1 12 "Average Difference" N 75 1.823 0.217 1.822 25706 68 1 12 "Average Difference" HA 85 0.186 -0.004 0.187 25706 69 1 12 "Average Difference" C 75 0.760 -0.032 0.765 25706 70 1 12 "Average Difference" CA 78 0.715 -0.282 0.661 25706 71 1 12 "Average Difference" CB 70 0.826 -0.172 0.813 25706 72 1 12 "Average Difference" HN 75 0.353 -0.055 0.351 25706 73 1 13 "Average Difference" N 75 2.110 0.148 2.119 25706 74 1 13 "Average Difference" HA 85 0.205 0.011 0.206 25706 75 1 13 "Average Difference" C 75 0.774 0.008 0.779 25706 76 1 13 "Average Difference" CA 78 0.835 -0.309 0.781 25706 77 1 13 "Average Difference" CB 70 0.781 -0.175 0.767 25706 78 1 13 "Average Difference" HN 75 0.414 -0.135 0.395 25706 79 1 14 "Average Difference" N 75 1.766 -0.155 1.771 25706 80 1 14 "Average Difference" HA 85 0.194 0.048 0.189 25706 81 1 14 "Average Difference" C 75 0.770 -0.073 0.772 25706 82 1 14 "Average Difference" CA 78 0.821 -0.398 0.723 25706 83 1 14 "Average Difference" CB 70 0.844 -0.153 0.836 25706 84 1 14 "Average Difference" HN 75 0.394 -0.101 0.384 25706 85 1 15 "Average Difference" N 75 1.810 0.032 1.822 25706 86 1 15 "Average Difference" HA 85 0.188 0.007 0.189 25706 87 1 15 "Average Difference" C 75 0.841 -0.054 0.845 25706 88 1 15 "Average Difference" CA 78 0.688 -0.202 0.662 25706 89 1 15 "Average Difference" CB 70 0.911 -0.220 0.891 25706 90 1 15 "Average Difference" HN 75 0.373 -0.050 0.373 25706 91 1 16 "Average Difference" N 75 1.848 0.029 1.860 25706 92 1 16 "Average Difference" HA 85 0.208 0.014 0.209 25706 93 1 16 "Average Difference" C 75 0.821 -0.147 0.813 25706 94 1 16 "Average Difference" CA 78 0.708 -0.281 0.654 25706 95 1 16 "Average Difference" CB 70 0.880 -0.027 0.885 25706 96 1 16 "Average Difference" HN 75 0.336 -0.060 0.333 25706 97 1 17 "Average Difference" N 75 2.170 -0.005 2.185 25706 98 1 17 "Average Difference" HA 85 0.208 -0.027 0.208 25706 99 1 17 "Average Difference" C 75 0.879 -0.013 0.885 25706 100 1 17 "Average Difference" CA 78 0.826 -0.228 0.799 25706 101 1 17 "Average Difference" CB 70 1.024 -0.232 1.005 25706 102 1 17 "Average Difference" HN 75 0.354 -0.083 0.346 25706 103 1 18 "Average Difference" N 75 1.885 -0.207 1.886 25706 104 1 18 "Average Difference" HA 85 0.196 0.036 0.194 25706 105 1 18 "Average Difference" C 75 0.820 -0.033 0.824 25706 106 1 18 "Average Difference" CA 78 0.845 -0.241 0.815 25706 107 1 18 "Average Difference" CB 70 0.761 -0.142 0.753 25706 108 1 18 "Average Difference" HN 75 0.404 -0.127 0.387 25706 109 1 19 "Average Difference" N 75 1.968 -0.135 1.977 25706 110 1 19 "Average Difference" HA 85 0.193 0.007 0.194 25706 111 1 19 "Average Difference" C 75 0.848 -0.119 0.845 25706 112 1 19 "Average Difference" CA 78 0.733 -0.338 0.654 25706 113 1 19 "Average Difference" CB 70 0.814 -0.129 0.810 25706 114 1 19 "Average Difference" HN 75 0.353 -0.100 0.341 25706 115 1 20 "Average Difference" N 75 2.091 -0.228 2.093 25706 116 1 20 "Average Difference" HA 85 0.195 0.007 0.196 25706 117 1 20 "Average Difference" C 75 0.814 -0.099 0.813 25706 118 1 20 "Average Difference" CA 78 0.710 -0.311 0.643 25706 119 1 20 "Average Difference" CB 70 0.953 -0.184 0.942 25706 120 1 20 "Average Difference" HN 75 0.394 -0.077 0.389 25706 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 25706 _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 PRO HA H 2 4.472 4.472 4.564 -0.092 25706 2 1 . 1 1 2 2 PRO C C 2 177.459 177.459 177.296 0.163 25706 3 1 . 1 1 2 2 PRO CA C 2 63.574 63.574 63.001 0.573 25706 4 1 . 1 1 2 2 PRO CB C 2 32.146 32.146 32.424 -0.278 25706 5 1 . 1 1 3 3 GLY N N 3 109.882 109.882 109.198 0.684 25706 6 1 . 1 1 3 3 GLY C C 3 174.103 174.103 174.298 -0.195 25706 7 1 . 1 1 3 3 GLY CA C 3 45.272 45.272 44.901 0.371 25706 8 1 . 1 1 3 3 GLY H H 3 8.645 8.645 8.452 0.193 25706 9 1 . 1 1 4 4 SER N N 4 115.534 115.534 115.315 0.219 25706 10 1 . 1 1 4 4 SER HA H 4 4.438 4.438 4.497 -0.059 25706 11 1 . 1 1 4 4 SER C C 4 174.137 174.137 173.790 0.347 25706 12 1 . 1 1 4 4 SER CA C 4 58.319 58.319 58.382 -0.063 25706 13 1 . 1 1 4 4 SER CB C 4 63.864 63.864 63.848 0.016 25706 14 1 . 1 1 4 4 SER H H 4 8.127 8.127 8.317 -0.190 25706 15 1 . 1 1 5 5 TYR N N 5 122.533 122.533 121.896 0.637 25706 16 1 . 1 1 5 5 TYR HA H 5 4.670 4.670 4.656 0.014 25706 17 1 . 1 1 5 5 TYR C C 5 176.109 176.109 175.308 0.801 25706 18 1 . 1 1 5 5 TYR CA C 5 58.115 58.115 58.131 -0.016 25706 19 1 . 1 1 5 5 TYR CB C 5 38.855 38.855 39.677 -0.822 25706 20 1 . 1 1 5 5 TYR H H 5 8.349 8.349 8.156 0.193 25706 21 1 . 1 1 6 6 THR N N 6 116.290 116.290 116.365 -0.075 25706 22 1 . 1 1 6 6 THR HA H 6 4.305 4.305 4.283 0.022 25706 23 1 . 1 1 6 6 THR C C 6 174.899 174.899 174.485 0.414 25706 24 1 . 1 1 6 6 THR CA C 6 61.743 61.743 61.685 0.058 25706 25 1 . 1 1 6 6 THR CB C 6 69.859 69.859 69.665 0.195 25706 26 1 . 1 1 6 6 THR H H 6 8.177 8.177 7.786 0.391 25706 27 1 . 1 1 7 7 GLY N N 7 110.576 110.576 110.096 0.480 25706 28 1 . 1 1 7 7 GLY C C 7 173.596 173.596 173.973 -0.377 25706 29 1 . 1 1 7 7 GLY CA C 7 45.347 45.347 44.996 0.351 25706 30 1 . 1 1 7 7 GLY H H 7 7.646 7.646 8.074 -0.428 25706 31 1 . 1 1 8 8 ALA N N 8 123.499 123.499 122.709 0.790 25706 32 1 . 1 1 8 8 ALA HA H 8 4.355 4.355 4.331 0.024 25706 33 1 . 1 1 8 8 ALA C C 8 178.119 178.119 177.844 0.275 25706 34 1 . 1 1 8 8 ALA CA C 8 52.547 52.547 52.207 0.340 25706 35 1 . 1 1 8 8 ALA CB C 8 19.387 19.387 19.182 0.205 25706 36 1 . 1 1 8 8 ALA H H 8 8.171 8.171 8.110 0.061 25706 37 1 . 1 1 9 9 GLY N N 9 108.467 108.467 107.577 0.890 25706 38 1 . 1 1 9 9 GLY C C 9 173.664 173.664 173.477 0.187 25706 39 1 . 1 1 9 9 GLY CA C 9 45.129 45.129 44.721 0.409 25706 40 1 . 1 1 9 9 GLY H H 9 8.398 8.398 8.154 0.244 25706 41 1 . 1 1 10 10 GLU N N 10 121.535 121.535 120.695 0.840 25706 42 1 . 1 1 10 10 GLU HA H 10 4.598 4.598 4.585 0.012 25706 43 1 . 1 1 10 10 GLU CA C 10 54.252 54.252 54.275 -0.023 25706 44 1 . 1 1 10 10 GLU CB C 10 29.959 29.959 30.273 -0.314 25706 45 1 . 1 1 10 10 GLU H H 10 8.230 8.230 8.309 -0.079 25706 46 1 . 1 1 11 11 PRO HA H 11 4.454 4.454 4.470 -0.016 25706 47 1 . 1 1 11 11 PRO C C 11 176.799 176.799 176.183 0.616 25706 48 1 . 1 1 11 11 PRO CA C 11 63.302 63.302 62.857 0.445 25706 49 1 . 1 1 11 11 PRO CB C 11 32.024 32.024 32.343 -0.320 25706 50 1 . 1 1 12 12 SER N N 12 117.122 117.122 116.894 0.228 25706 51 1 . 1 1 12 12 SER HA H 12 4.469 4.469 4.524 -0.055 25706 52 1 . 1 1 12 12 SER C C 12 174.904 174.904 176.053 -1.149 25706 53 1 . 1 1 12 12 SER CA C 12 57.876 57.876 57.119 0.756 25706 54 1 . 1 1 12 12 SER CB C 12 64.624 64.624 64.708 -0.084 25706 55 1 . 1 1 12 12 SER H H 12 8.721 8.721 8.418 0.303 25706 56 1 . 1 1 13 13 GLN N N 13 121.678 121.678 124.899 -3.221 25706 57 1 . 1 1 13 13 GLN HA H 13 4.120 4.120 4.046 0.074 25706 58 1 . 1 1 13 13 GLN C C 13 178.113 178.113 177.182 0.931 25706 59 1 . 1 1 13 13 GLN CA C 13 57.857 57.857 58.578 -0.720 25706 60 1 . 1 1 13 13 GLN CB C 13 28.742 28.742 28.246 0.496 25706 61 1 . 1 1 13 13 GLN H H 13 8.660 8.660 9.014 -0.354 25706 62 1 . 1 1 14 14 ALA N N 14 122.557 122.557 121.966 0.591 25706 63 1 . 1 1 14 14 ALA HA H 14 4.208 4.208 4.144 0.064 25706 64 1 . 1 1 14 14 ALA C C 14 179.168 179.168 179.082 0.086 25706 65 1 . 1 1 14 14 ALA CA C 14 54.063 54.063 54.632 -0.569 25706 66 1 . 1 1 14 14 ALA CB C 14 18.974 18.974 18.260 0.714 25706 67 1 . 1 1 14 14 ALA H H 14 8.251 8.251 7.962 0.289 25706 68 1 . 1 1 15 15 ASP N N 15 120.191 120.191 120.008 0.183 25706 69 1 . 1 1 15 15 ASP HA H 15 4.495 4.495 4.473 0.022 25706 70 1 . 1 1 15 15 ASP C C 15 178.121 178.121 178.433 -0.312 25706 71 1 . 1 1 15 15 ASP CA C 15 55.503 55.503 56.818 -1.315 25706 72 1 . 1 1 15 15 ASP CB C 15 40.585 40.585 40.755 -0.170 25706 73 1 . 1 1 15 15 ASP H H 15 8.049 8.049 7.679 0.370 25706 74 1 . 1 1 16 16 LEU N N 16 122.661 122.661 120.466 2.195 25706 75 1 . 1 1 16 16 LEU HA H 16 4.003 4.003 3.900 0.102 25706 76 1 . 1 1 16 16 LEU C C 16 178.320 178.320 178.501 -0.181 25706 77 1 . 1 1 16 16 LEU CA C 16 57.735 57.735 58.009 -0.274 25706 78 1 . 1 1 16 16 LEU CB C 16 41.917 41.917 41.890 0.027 25706 79 1 . 1 1 16 16 LEU H H 16 8.258 8.258 8.041 0.217 25706 80 1 . 1 1 17 17 ASP N N 17 119.364 119.364 118.942 0.422 25706 81 1 . 1 1 17 17 ASP HA H 17 4.243 4.243 4.229 0.013 25706 82 1 . 1 1 17 17 ASP C C 17 178.534 178.534 177.929 0.605 25706 83 1 . 1 1 17 17 ASP CA C 17 58.094 58.094 57.536 0.558 25706 84 1 . 1 1 17 17 ASP CB C 17 41.455 41.455 40.787 0.668 25706 85 1 . 1 1 17 17 ASP H H 17 8.299 8.299 8.192 0.107 25706 86 1 . 1 1 18 18 ALA N N 18 121.057 121.057 121.726 -0.669 25706 87 1 . 1 1 18 18 ALA HA H 18 4.125 4.125 4.152 -0.027 25706 88 1 . 1 1 18 18 ALA C C 18 180.942 180.942 179.658 1.284 25706 89 1 . 1 1 18 18 ALA CA C 18 54.947 54.947 54.947 -0.000 25706 90 1 . 1 1 18 18 ALA CB C 18 18.217 18.217 18.478 -0.261 25706 91 1 . 1 1 18 18 ALA H H 18 7.851 7.851 7.631 0.220 25706 92 1 . 1 1 19 19 LEU N N 19 122.159 122.159 119.894 2.265 25706 93 1 . 1 1 19 19 LEU HA H 19 3.975 3.975 4.071 -0.096 25706 94 1 . 1 1 19 19 LEU C C 19 178.447 178.447 178.664 -0.217 25706 95 1 . 1 1 19 19 LEU CA C 19 58.814 58.814 57.634 1.180 25706 96 1 . 1 1 19 19 LEU CB C 19 42.373 42.373 42.190 0.183 25706 97 1 . 1 1 19 19 LEU H H 19 7.941 7.941 7.518 0.423 25706 98 1 . 1 1 20 20 LEU N N 20 119.065 119.065 118.785 0.280 25706 99 1 . 1 1 20 20 LEU HA H 20 3.710 3.710 3.902 -0.192 25706 100 1 . 1 1 20 20 LEU C C 20 179.763 179.763 179.094 0.669 25706 101 1 . 1 1 20 20 LEU CA C 20 58.397 58.397 58.339 0.058 25706 102 1 . 1 1 20 20 LEU CB C 20 39.866 39.866 41.397 -1.531 25706 103 1 . 1 1 20 20 LEU H H 20 8.454 8.454 8.603 -0.149 25706 104 1 . 1 1 21 21 SER N N 21 115.603 115.603 114.444 1.159 25706 105 1 . 1 1 21 21 SER HA H 21 4.199 4.199 4.164 0.035 25706 106 1 . 1 1 21 21 SER C C 21 175.002 175.002 176.130 -1.128 25706 107 1 . 1 1 21 21 SER CA C 21 62.502 62.502 61.512 0.990 25706 108 1 . 1 1 21 21 SER CB C 21 62.806 62.806 62.978 -0.172 25706 109 1 . 1 1 21 21 SER H H 21 8.248 8.248 8.187 0.061 25706 110 1 . 1 1 22 22 ALA N N 22 123.437 123.437 123.663 -0.226 25706 111 1 . 1 1 22 22 ALA HA H 22 4.066 4.066 4.194 -0.128 25706 112 1 . 1 1 22 22 ALA C C 22 180.273 180.273 178.746 1.527 25706 113 1 . 1 1 22 22 ALA CA C 22 55.487 55.487 54.817 0.670 25706 114 1 . 1 1 22 22 ALA CB C 22 18.231 18.231 18.506 -0.275 25706 115 1 . 1 1 22 22 ALA H H 22 7.982 7.982 7.541 0.441 25706 116 1 . 1 1 23 23 VAL N N 23 119.580 119.580 119.148 0.432 25706 117 1 . 1 1 23 23 VAL HA H 23 4.233 4.233 4.196 0.037 25706 118 1 . 1 1 23 23 VAL C C 23 180.144 180.144 178.237 1.907 25706 119 1 . 1 1 23 23 VAL CA C 23 65.474 65.474 64.419 1.055 25706 120 1 . 1 1 23 23 VAL CB C 23 32.211 32.211 31.811 0.400 25706 121 1 . 1 1 23 23 VAL H H 23 8.382 8.382 7.636 0.746 25706 122 1 . 1 1 24 24 ARG N N 24 122.585 122.585 120.680 1.905 25706 123 1 . 1 1 24 24 ARG HA H 24 3.921 3.921 4.036 -0.115 25706 124 1 . 1 1 24 24 ARG C C 24 177.169 177.169 177.369 -0.200 25706 125 1 . 1 1 24 24 ARG CA C 24 59.514 59.514 58.234 1.280 25706 126 1 . 1 1 24 24 ARG CB C 24 29.895 29.895 30.006 -0.111 25706 127 1 . 1 1 24 24 ARG H H 24 8.589 8.589 8.402 0.187 25706 128 1 . 1 1 25 25 ASP N N 25 115.538 115.538 117.077 -1.539 25706 129 1 . 1 1 25 25 ASP C C 25 175.579 175.579 175.485 0.094 25706 130 1 . 1 1 25 25 ASP CA C 25 54.353 54.353 53.221 1.132 25706 131 1 . 1 1 25 25 ASP CB C 25 40.715 40.715 40.820 -0.105 25706 132 1 . 1 1 25 25 ASP H H 25 8.083 8.083 7.799 0.284 25706 133 1 . 1 1 26 26 ASN N N 26 113.668 113.668 115.335 -1.667 25706 134 1 . 1 1 26 26 ASN HA H 26 4.492 4.492 4.393 0.099 25706 135 1 . 1 1 26 26 ASN C C 26 174.953 174.953 175.581 -0.628 25706 136 1 . 1 1 26 26 ASN CA C 26 55.223 55.223 54.621 0.602 25706 137 1 . 1 1 26 26 ASN CB C 26 37.451 37.451 37.351 0.100 25706 138 1 . 1 1 26 26 ASN H H 26 7.860 7.860 7.904 -0.044 25706 139 1 . 1 1 27 27 ARG N N 27 117.078 117.078 116.515 0.563 25706 140 1 . 1 1 27 27 ARG HA H 27 4.303 4.303 4.364 -0.061 25706 141 1 . 1 1 27 27 ARG C C 27 176.011 176.011 176.059 -0.048 25706 142 1 . 1 1 27 27 ARG CA C 27 57.582 57.582 56.406 1.176 25706 143 1 . 1 1 27 27 ARG CB C 27 31.374 31.374 31.056 0.318 25706 144 1 . 1 1 27 27 ARG H H 27 8.700 8.700 8.370 0.330 25706 145 1 . 1 1 28 28 LEU N N 28 119.538 119.538 120.900 -1.362 25706 146 1 . 1 1 28 28 LEU HA H 28 4.626 4.626 4.692 -0.066 25706 147 1 . 1 1 28 28 LEU C C 28 175.563 175.563 175.523 0.041 25706 148 1 . 1 1 28 28 LEU CA C 28 53.403 53.403 53.059 0.344 25706 149 1 . 1 1 28 28 LEU CB C 28 46.720 46.720 45.023 1.697 25706 150 1 . 1 1 28 28 LEU H H 28 7.101 7.101 7.645 -0.544 25706 151 1 . 1 1 29 29 SER N N 29 119.714 119.714 119.378 0.336 25706 152 1 . 1 1 29 29 SER HA H 29 4.512 4.512 4.687 -0.175 25706 153 1 . 1 1 29 29 SER C C 29 174.769 174.769 175.750 -0.981 25706 154 1 . 1 1 29 29 SER CA C 29 56.883 56.883 57.009 -0.126 25706 155 1 . 1 1 29 29 SER CB C 29 65.067 65.067 65.051 0.016 25706 156 1 . 1 1 29 29 SER H H 29 8.885 8.885 8.583 0.302 25706 157 1 . 1 1 30 30 ILE N N 30 121.990 121.990 124.188 -2.198 25706 158 1 . 1 1 30 30 ILE HA H 30 3.564 3.564 3.737 -0.173 25706 159 1 . 1 1 30 30 ILE C C 30 177.419 177.419 177.970 -0.551 25706 160 1 . 1 1 30 30 ILE CA C 30 65.706 65.706 64.703 1.003 25706 161 1 . 1 1 30 30 ILE CB C 30 37.132 37.132 37.197 -0.065 25706 162 1 . 1 1 30 30 ILE H H 30 8.953 8.953 8.832 0.121 25706 163 1 . 1 1 31 31 GLU N N 31 117.222 117.222 118.427 -1.205 25706 164 1 . 1 1 31 31 GLU HA H 31 3.863 3.863 4.088 -0.225 25706 165 1 . 1 1 31 31 GLU C C 31 179.559 179.559 178.957 0.602 25706 166 1 . 1 1 31 31 GLU CA C 31 60.514 60.514 59.257 1.257 25706 167 1 . 1 1 31 31 GLU CB C 31 29.046 29.046 28.999 0.047 25706 168 1 . 1 1 31 31 GLU H H 31 8.669 8.669 8.596 0.073 25706 169 1 . 1 1 32 32 GLN N N 32 118.595 118.595 119.095 -0.500 25706 170 1 . 1 1 32 32 GLN HA H 32 4.045 4.045 4.150 -0.105 25706 171 1 . 1 1 32 32 GLN C C 32 179.113 179.113 178.213 0.900 25706 172 1 . 1 1 32 32 GLN CA C 32 58.501 58.501 58.435 0.066 25706 173 1 . 1 1 32 32 GLN CB C 32 29.286 29.286 28.285 1.002 25706 174 1 . 1 1 32 32 GLN H H 32 7.949 7.949 8.252 -0.303 25706 175 1 . 1 1 33 33 ALA N N 33 123.062 123.062 122.173 0.888 25706 176 1 . 1 1 33 33 ALA HA H 33 3.913 3.913 4.130 -0.217 25706 177 1 . 1 1 33 33 ALA C C 33 178.918 178.918 179.747 -0.829 25706 178 1 . 1 1 33 33 ALA CA C 33 55.538 55.538 55.009 0.529 25706 179 1 . 1 1 33 33 ALA CB C 33 19.146 19.146 18.369 0.777 25706 180 1 . 1 1 33 33 ALA H H 33 8.520 8.520 8.343 0.177 25706 181 1 . 1 1 34 34 VAL N N 34 115.551 115.551 118.237 -2.686 25706 182 1 . 1 1 34 34 VAL HA H 34 3.383 3.383 3.719 -0.336 25706 183 1 . 1 1 34 34 VAL C C 34 179.013 179.013 177.992 1.021 25706 184 1 . 1 1 34 34 VAL CA C 34 67.031 67.031 66.607 0.424 25706 185 1 . 1 1 34 34 VAL CB C 34 31.575 31.575 31.540 0.035 25706 186 1 . 1 1 34 34 VAL H H 34 8.469 8.469 7.685 0.784 25706 187 1 . 1 1 35 35 THR N N 35 114.806 114.806 115.611 -0.805 25706 188 1 . 1 1 35 35 THR HA H 35 4.012 4.012 4.155 -0.143 25706 189 1 . 1 1 35 35 THR C C 35 176.151 176.151 176.236 -0.085 25706 190 1 . 1 1 35 35 THR CA C 35 65.944 65.944 65.895 0.049 25706 191 1 . 1 1 35 35 THR CB C 35 68.902 68.902 68.752 0.150 25706 192 1 . 1 1 35 35 THR H H 35 7.598 7.598 7.898 -0.300 25706 193 1 . 1 1 36 36 LEU N N 36 120.922 120.922 119.536 1.386 25706 194 1 . 1 1 36 36 LEU HA H 36 4.183 4.183 4.272 -0.089 25706 195 1 . 1 1 36 36 LEU C C 36 177.940 177.940 178.126 -0.186 25706 196 1 . 1 1 36 36 LEU CA C 36 56.610 56.610 56.395 0.215 25706 197 1 . 1 1 36 36 LEU CB C 36 42.277 42.277 42.048 0.229 25706 198 1 . 1 1 36 36 LEU H H 36 7.516 7.516 7.899 -0.383 25706 199 1 . 1 1 37 37 LEU N N 37 118.066 118.066 119.130 -1.064 25706 200 1 . 1 1 37 37 LEU HA H 37 4.337 4.337 4.278 0.059 25706 201 1 . 1 1 37 37 LEU C C 37 177.013 177.013 177.161 -0.148 25706 202 1 . 1 1 37 37 LEU CA C 37 54.877 54.877 56.316 -1.439 25706 203 1 . 1 1 37 37 LEU CB C 37 43.021 43.021 43.059 -0.038 25706 204 1 . 1 1 37 37 LEU H H 37 7.444 7.444 7.494 -0.051 25706 205 1 . 1 1 38 38 THR N N 38 116.689 116.689 115.624 1.065 25706 206 1 . 1 1 38 38 THR HA H 38 4.469 4.469 4.398 0.071 25706 207 1 . 1 1 38 38 THR CA C 38 61.736 61.736 61.675 0.061 25706 208 1 . 1 1 38 38 THR CB C 38 69.544 69.544 68.810 0.734 25706 209 1 . 1 1 38 38 THR H H 38 7.925 7.925 7.974 -0.049 25706 210 1 . 1 1 39 39 PRO HA H 39 4.473 4.473 4.513 -0.039 25706 211 1 . 1 1 39 39 PRO C C 39 177.055 177.055 177.072 -0.017 25706 212 1 . 1 1 39 39 PRO CA C 39 63.505 63.505 62.789 0.716 25706 213 1 . 1 1 39 39 PRO CB C 39 32.140 32.140 32.400 -0.260 25706 214 1 . 1 1 40 40 ARG N N 40 120.701 120.701 121.738 -1.037 25706 215 1 . 1 1 40 40 ARG HA H 40 4.307 4.307 4.362 -0.055 25706 216 1 . 1 1 40 40 ARG C C 40 176.527 176.527 176.661 -0.134 25706 217 1 . 1 1 40 40 ARG CA C 40 56.307 56.307 56.438 -0.131 25706 218 1 . 1 1 40 40 ARG CB C 40 30.797 30.797 30.691 0.106 25706 219 1 . 1 1 40 40 ARG H H 40 8.384 8.384 8.540 -0.156 25706 220 1 . 1 1 41 41 ARG N N 41 121.467 121.467 119.756 1.711 25706 221 1 . 1 1 41 41 ARG HA H 41 4.381 4.381 4.348 0.033 25706 222 1 . 1 1 41 41 ARG C C 41 176.791 176.791 176.667 0.124 25706 223 1 . 1 1 41 41 ARG CA C 41 56.227 56.227 56.010 0.217 25706 224 1 . 1 1 41 41 ARG CB C 41 30.869 30.869 30.298 0.571 25706 225 1 . 1 1 41 41 ARG H H 41 8.367 8.367 8.267 0.100 25706 226 1 . 1 1 42 42 GLY N N 42 110.418 110.418 109.064 1.354 25706 227 1 . 1 1 42 42 GLY CA C 42 45.347 45.347 44.839 0.508 25706 228 1 . 1 1 42 42 GLY H H 42 8.538 8.538 8.193 0.345 25706 229 1 . 1 1 44 44 GLY C C 44 174.487 174.487 174.440 0.047 25706 230 1 . 1 1 45 45 SER N N 45 115.788 115.788 116.540 -0.752 25706 231 1 . 1 1 45 45 SER HA H 45 4.515 4.515 4.456 0.059 25706 232 1 . 1 1 45 45 SER C C 45 175.337 175.337 175.000 0.337 25706 233 1 . 1 1 45 45 SER CA C 45 58.590 58.590 58.271 0.319 25706 234 1 . 1 1 45 45 SER CB C 45 63.920 63.920 63.772 0.148 25706 235 1 . 1 1 45 45 SER H H 45 8.422 8.422 8.259 0.163 25706 236 1 . 1 1 46 46 GLY N N 46 111.003 111.003 110.014 0.989 25706 237 1 . 1 1 46 46 GLY C C 46 174.837 174.837 174.095 0.742 25706 238 1 . 1 1 46 46 GLY CA C 46 45.497 45.497 44.750 0.747 25706 239 1 . 1 1 46 46 GLY H H 46 8.600 8.600 8.303 0.297 25706 240 1 . 1 1 47 47 GLY N N 47 108.933 108.933 107.923 1.010 25706 241 1 . 1 1 47 47 GLY C C 47 174.864 174.864 174.602 0.262 25706 242 1 . 1 1 47 47 GLY H H 47 8.398 8.398 8.213 0.185 25706 243 1 . 1 1 48 48 GLY N N 48 108.905 108.905 107.854 1.051 25706 244 1 . 1 1 48 48 GLY C C 48 174.496 174.496 174.471 0.025 25706 245 1 . 1 1 48 48 GLY H H 48 8.418 8.418 8.183 0.235 25706 246 1 . 1 1 49 49 SER N N 49 115.575 115.575 116.130 -0.555 25706 247 1 . 1 1 49 49 SER HA H 49 4.439 4.439 4.449 -0.010 25706 248 1 . 1 1 49 49 SER C C 49 174.539 174.539 174.375 0.164 25706 249 1 . 1 1 49 49 SER CA C 49 58.826 58.826 58.130 0.696 25706 250 1 . 1 1 49 49 SER CB C 49 64.100 64.100 63.505 0.595 25706 251 1 . 1 1 49 49 SER H H 49 8.292 8.292 8.096 0.196 25706 252 1 . 1 1 50 50 MET N N 50 121.907 121.907 121.186 0.721 25706 253 1 . 1 1 50 50 MET HA H 50 4.445 4.445 4.321 0.124 25706 254 1 . 1 1 50 50 MET C C 50 175.456 175.456 174.918 0.538 25706 255 1 . 1 1 50 50 MET CA C 50 55.951 55.951 55.379 0.572 25706 256 1 . 1 1 50 50 MET CB C 50 33.967 33.967 31.881 2.086 25706 257 1 . 1 1 50 50 MET H H 50 8.310 8.310 8.332 -0.022 25706 258 1 . 1 1 51 51 ASP N N 51 122.904 122.904 122.370 0.534 25706 259 1 . 1 1 51 51 ASP HA H 51 4.641 4.641 4.698 -0.057 25706 260 1 . 1 1 51 51 ASP C C 51 176.239 176.239 176.853 -0.614 25706 261 1 . 1 1 51 51 ASP CA C 51 53.511 53.511 53.826 -0.314 25706 262 1 . 1 1 51 51 ASP CB C 51 41.513 41.513 43.385 -1.872 25706 263 1 . 1 1 51 51 ASP H H 51 8.506 8.506 8.077 0.429 25706 264 1 . 1 1 52 52 ALA N N 52 123.354 123.354 127.101 -3.747 25706 265 1 . 1 1 52 52 ALA HA H 52 3.846 3.846 3.960 -0.114 25706 266 1 . 1 1 52 52 ALA C C 52 178.517 178.517 179.105 -0.588 25706 267 1 . 1 1 52 52 ALA CA C 52 55.598 55.598 55.299 0.299 25706 268 1 . 1 1 52 52 ALA CB C 52 18.617 18.617 18.781 -0.164 25706 269 1 . 1 1 52 52 ALA H H 52 8.506 8.506 8.740 -0.234 25706 270 1 . 1 1 53 53 LYS N N 53 117.034 117.034 118.565 -1.531 25706 271 1 . 1 1 53 53 LYS HA H 53 3.598 3.598 4.016 -0.418 25706 272 1 . 1 1 53 53 LYS C C 53 179.171 179.171 178.625 0.546 25706 273 1 . 1 1 53 53 LYS CA C 53 60.402 60.402 59.497 0.905 25706 274 1 . 1 1 53 53 LYS CB C 53 32.058 32.058 31.961 0.097 25706 275 1 . 1 1 53 53 LYS H H 53 8.407 8.407 8.461 -0.054 25706 276 1 . 1 1 54 54 GLU N N 54 123.212 123.212 119.587 3.625 25706 277 1 . 1 1 54 54 GLU HA H 54 4.073 4.073 4.138 -0.065 25706 278 1 . 1 1 54 54 GLU C C 54 178.526 178.526 179.018 -0.493 25706 279 1 . 1 1 54 54 GLU CA C 54 59.744 59.744 59.116 0.628 25706 280 1 . 1 1 54 54 GLU CB C 54 29.338 29.338 29.175 0.163 25706 281 1 . 1 1 54 54 GLU H H 54 8.005 8.005 8.009 -0.004 25706 282 1 . 1 1 55 55 ILE N N 55 119.567 119.567 120.902 -1.335 25706 283 1 . 1 1 55 55 ILE HA H 55 3.429 3.429 3.721 -0.292 25706 284 1 . 1 1 55 55 ILE C C 55 177.999 177.999 178.179 -0.180 25706 285 1 . 1 1 55 55 ILE CA C 55 65.612 65.612 65.697 -0.085 25706 286 1 . 1 1 55 55 ILE CB C 55 38.711 38.711 37.897 0.814 25706 287 1 . 1 1 55 55 ILE H H 55 8.088 8.088 8.210 -0.122 25706 288 1 . 1 1 56 56 LEU N N 56 116.646 116.646 120.187 -3.541 25706 289 1 . 1 1 56 56 LEU HA H 56 4.004 4.004 4.165 -0.161 25706 290 1 . 1 1 56 56 LEU C C 56 178.636 178.636 179.485 -0.849 25706 291 1 . 1 1 56 56 LEU CA C 56 58.064 58.064 58.131 -0.067 25706 292 1 . 1 1 56 56 LEU CB C 56 42.944 42.944 40.434 2.510 25706 293 1 . 1 1 56 56 LEU H H 56 8.477 8.477 8.547 -0.070 25706 294 1 . 1 1 57 57 THR N N 57 117.148 117.148 116.115 1.033 25706 295 1 . 1 1 57 57 THR HA H 57 3.833 3.833 3.955 -0.122 25706 296 1 . 1 1 57 57 THR C C 57 175.836 175.836 176.967 -1.131 25706 297 1 . 1 1 57 57 THR CA C 57 67.615 67.615 67.263 0.352 25706 298 1 . 1 1 57 57 THR CB C 57 68.860 68.860 68.535 0.325 25706 299 1 . 1 1 57 57 THR H H 57 8.260 8.260 8.400 -0.140 25706 300 1 . 1 1 58 58 ARG N N 58 120.818 120.818 121.369 -0.551 25706 301 1 . 1 1 58 58 ARG HA H 58 4.248 4.248 4.056 0.192 25706 302 1 . 1 1 58 58 ARG C C 58 179.476 179.476 178.371 1.105 25706 303 1 . 1 1 58 58 ARG CA C 58 59.275 59.275 59.582 -0.307 25706 304 1 . 1 1 58 58 ARG CB C 58 30.548 30.548 30.151 0.397 25706 305 1 . 1 1 58 58 ARG H H 58 8.202 8.202 8.183 0.019 25706 306 1 . 1 1 59 59 PHE N N 59 119.668 119.668 121.517 -1.849 25706 307 1 . 1 1 59 59 PHE HA H 59 4.748 4.748 4.482 0.266 25706 308 1 . 1 1 59 59 PHE C C 59 178.260 178.260 177.443 0.817 25706 309 1 . 1 1 59 59 PHE CA C 59 60.277 60.277 60.312 -0.035 25706 310 1 . 1 1 59 59 PHE CB C 59 39.220 39.220 39.250 -0.030 25706 311 1 . 1 1 59 59 PHE H H 59 8.615 8.615 8.537 0.078 25706 312 1 . 1 1 60 60 LYS N N 60 123.687 123.687 118.841 4.846 25706 313 1 . 1 1 60 60 LYS HA H 60 3.487 3.487 3.721 -0.234 25706 314 1 . 1 1 60 60 LYS C C 60 177.801 177.801 178.177 -0.376 25706 315 1 . 1 1 60 60 LYS CA C 60 59.825 59.825 59.043 0.782 25706 316 1 . 1 1 60 60 LYS CB C 60 32.416 32.416 32.284 0.132 25706 317 1 . 1 1 60 60 LYS H H 60 8.800 8.800 8.384 0.416 25706 318 1 . 1 1 61 61 ASP N N 61 116.083 116.083 117.093 -1.010 25706 319 1 . 1 1 61 61 ASP HA H 61 4.593 4.593 4.496 0.097 25706 320 1 . 1 1 61 61 ASP C C 61 177.052 177.052 176.790 0.262 25706 321 1 . 1 1 61 61 ASP CA C 61 54.919 54.919 54.694 0.225 25706 322 1 . 1 1 61 61 ASP CB C 61 41.006 41.006 41.248 -0.242 25706 323 1 . 1 1 61 61 ASP H H 61 8.107 8.107 7.860 0.247 25706 324 1 . 1 1 62 62 GLY N N 62 107.294 107.294 106.040 1.254 25706 325 1 . 1 1 62 62 GLY C C 62 175.018 175.018 175.696 -0.678 25706 326 1 . 1 1 62 62 GLY CA C 62 45.385 45.385 45.135 0.250 25706 327 1 . 1 1 62 62 GLY H H 62 7.625 7.625 7.453 0.172 25706 328 1 . 1 1 63 63 GLY N N 63 109.718 109.718 108.105 1.613 25706 329 1 . 1 1 63 63 GLY C C 63 173.393 173.393 174.004 -0.611 25706 330 1 . 1 1 63 63 GLY CA C 63 45.737 45.737 44.908 0.829 25706 331 1 . 1 1 63 63 GLY H H 63 8.687 8.687 8.158 0.529 25706 332 1 . 1 1 64 64 LEU N N 64 119.332 119.332 120.586 -1.254 25706 333 1 . 1 1 64 64 LEU HA H 64 4.718 4.718 4.743 -0.025 25706 334 1 . 1 1 64 64 LEU C C 64 175.357 175.357 175.200 0.157 25706 335 1 . 1 1 64 64 LEU CA C 64 53.937 53.937 53.959 -0.022 25706 336 1 . 1 1 64 64 LEU CB C 64 47.077 47.077 45.533 1.544 25706 337 1 . 1 1 64 64 LEU H H 64 7.034 7.034 7.338 -0.304 25706 338 1 . 1 1 65 65 ASP N N 65 121.569 121.569 124.853 -3.284 25706 339 1 . 1 1 65 65 ASP HA H 65 4.793 4.793 4.933 -0.140 25706 340 1 . 1 1 65 65 ASP C C 65 175.652 175.652 177.320 -1.668 25706 341 1 . 1 1 65 65 ASP CA C 65 52.877 52.877 54.180 -1.303 25706 342 1 . 1 1 65 65 ASP CB C 65 41.818 41.818 42.834 -1.016 25706 343 1 . 1 1 65 65 ASP H H 65 8.287 8.287 8.675 -0.388 25706 344 1 . 1 1 66 66 ARG N N 66 120.199 120.199 122.587 -2.388 25706 345 1 . 1 1 66 66 ARG HA H 66 3.755 3.755 3.861 -0.106 25706 346 1 . 1 1 66 66 ARG C C 66 177.271 177.271 177.957 -0.686 25706 347 1 . 1 1 66 66 ARG CA C 66 60.564 60.564 59.806 0.758 25706 348 1 . 1 1 66 66 ARG CB C 66 30.849 30.849 30.250 0.599 25706 349 1 . 1 1 66 66 ARG H H 66 8.860 8.860 8.938 -0.078 25706 350 1 . 1 1 67 67 ALA N N 67 120.212 120.212 120.639 -0.427 25706 351 1 . 1 1 67 67 ALA HA H 67 4.084 4.084 4.232 -0.148 25706 352 1 . 1 1 67 67 ALA C C 67 181.015 181.015 179.580 1.435 25706 353 1 . 1 1 67 67 ALA CA C 67 55.176 55.176 54.840 0.336 25706 354 1 . 1 1 67 67 ALA CB C 67 17.841 17.841 18.087 -0.247 25706 355 1 . 1 1 67 67 ALA H H 67 8.339 8.339 8.499 -0.160 25706 356 1 . 1 1 68 68 ALA N N 68 122.433 122.433 121.292 1.141 25706 357 1 . 1 1 68 68 ALA HA H 68 4.155 4.155 4.092 0.063 25706 358 1 . 1 1 68 68 ALA C C 68 180.071 180.071 179.386 0.685 25706 359 1 . 1 1 68 68 ALA CA C 68 54.950 54.950 54.571 0.379 25706 360 1 . 1 1 68 68 ALA CB C 68 19.247 19.247 18.285 0.962 25706 361 1 . 1 1 68 68 ALA H H 68 8.184 8.184 7.948 0.236 25706 362 1 . 1 1 69 69 ALA N N 69 119.845 119.845 121.408 -1.563 25706 363 1 . 1 1 69 69 ALA HA H 69 3.832 3.832 3.850 -0.018 25706 364 1 . 1 1 69 69 ALA C C 69 178.826 178.826 179.683 -0.857 25706 365 1 . 1 1 69 69 ALA CA C 69 55.530 55.530 55.103 0.427 25706 366 1 . 1 1 69 69 ALA CB C 69 17.977 17.977 17.862 0.115 25706 367 1 . 1 1 69 69 ALA H H 69 8.511 8.511 8.458 0.053 25706 368 1 . 1 1 70 70 GLN N N 70 116.137 116.137 118.171 -2.034 25706 369 1 . 1 1 70 70 GLN HA H 70 3.600 3.600 3.822 -0.222 25706 370 1 . 1 1 70 70 GLN C C 70 177.832 177.832 178.459 -0.627 25706 371 1 . 1 1 70 70 GLN CA C 70 60.050 60.050 58.912 1.137 25706 372 1 . 1 1 70 70 GLN CB C 70 28.175 28.175 28.573 -0.398 25706 373 1 . 1 1 70 70 GLN H H 70 8.528 8.528 8.211 0.317 25706 374 1 . 1 1 71 71 ALA N N 71 120.118 120.118 123.047 -2.929 25706 375 1 . 1 1 71 71 ALA HA H 71 4.063 4.063 4.002 0.061 25706 376 1 . 1 1 71 71 ALA C C 71 180.495 180.495 179.551 0.944 25706 377 1 . 1 1 71 71 ALA CA C 71 55.178 55.178 55.210 -0.032 25706 378 1 . 1 1 71 71 ALA CB C 71 17.896 17.896 18.483 -0.588 25706 379 1 . 1 1 71 71 ALA H H 71 7.625 7.625 7.764 -0.139 25706 380 1 . 1 1 72 72 LEU N N 72 117.959 117.959 118.969 -1.010 25706 381 1 . 1 1 72 72 LEU HA H 72 4.173 4.173 4.191 -0.018 25706 382 1 . 1 1 72 72 LEU C C 72 180.674 180.674 179.711 0.963 25706 383 1 . 1 1 72 72 LEU CA C 72 57.554 57.554 57.371 0.183 25706 384 1 . 1 1 72 72 LEU CB C 72 42.767 42.767 41.536 1.231 25706 385 1 . 1 1 72 72 LEU H H 72 8.068 8.068 8.143 -0.075 25706 386 1 . 1 1 73 73 LEU N N 73 119.237 119.237 118.805 0.432 25706 387 1 . 1 1 73 73 LEU HA H 73 4.114 4.114 4.000 0.114 25706 388 1 . 1 1 73 73 LEU C C 73 177.691 177.691 178.561 -0.870 25706 389 1 . 1 1 73 73 LEU CA C 73 56.724 56.724 57.283 -0.559 25706 390 1 . 1 1 73 73 LEU CB C 73 42.589 42.589 41.718 0.871 25706 391 1 . 1 1 73 73 LEU H H 73 8.251 8.251 8.132 0.119 25706 392 1 . 1 1 74 74 ALA N N 74 120.421 120.421 118.393 2.028 25706 393 1 . 1 1 74 74 ALA HA H 74 4.288 4.288 4.283 0.005 25706 394 1 . 1 1 74 74 ALA C C 74 178.222 178.222 177.872 0.350 25706 395 1 . 1 1 74 74 ALA CA C 74 52.861 52.861 52.366 0.495 25706 396 1 . 1 1 74 74 ALA CB C 74 19.198 19.198 19.179 0.019 25706 397 1 . 1 1 74 74 ALA H H 74 7.765 7.765 7.813 -0.048 25706 398 1 . 1 1 75 75 GLY N N 75 106.485 106.485 105.897 0.588 25706 399 1 . 1 1 75 75 GLY C C 75 174.299 174.299 174.421 -0.122 25706 400 1 . 1 1 75 75 GLY CA C 75 45.787 45.787 45.257 0.530 25706 401 1 . 1 1 75 75 GLY H H 75 7.895 7.895 7.595 0.300 25706 402 1 . 1 1 76 76 ARG N N 76 119.703 119.703 119.046 0.657 25706 403 1 . 1 1 76 76 ARG HA H 76 4.502 4.502 4.730 -0.228 25706 404 1 . 1 1 76 76 ARG C C 76 175.750 175.750 175.134 0.616 25706 405 1 . 1 1 76 76 ARG CA C 76 55.407 55.407 54.138 1.269 25706 406 1 . 1 1 76 76 ARG CB C 76 31.303 31.303 32.097 -0.794 25706 407 1 . 1 1 76 76 ARG H H 76 8.110 8.110 8.223 -0.113 25706 408 1 . 1 1 77 77 THR N N 77 116.771 116.771 113.488 3.283 25706 409 1 . 1 1 77 77 THR HA H 77 4.582 4.582 4.508 0.074 25706 410 1 . 1 1 77 77 THR CA C 77 59.920 59.920 59.793 0.127 25706 411 1 . 1 1 77 77 THR CB C 77 69.810 69.810 68.805 1.005 25706 412 1 . 1 1 77 77 THR H H 77 8.181 8.181 8.215 -0.034 25706 413 1 . 1 1 78 78 PRO HA H 78 4.368 4.368 4.368 -0.000 25706 414 1 . 1 1 78 78 PRO C C 78 176.366 176.366 176.489 -0.123 25706 415 1 . 1 1 78 78 PRO CA C 78 63.154 63.154 62.907 0.247 25706 416 1 . 1 1 78 78 PRO CB C 78 32.108 32.108 32.128 -0.020 25706 417 1 . 1 1 79 79 ALA N N 79 124.715 124.715 123.458 1.257 25706 418 1 . 1 1 79 79 ALA HA H 79 4.246 4.246 4.400 -0.154 25706 419 1 . 1 1 79 79 ALA C C 79 177.314 177.314 176.736 0.578 25706 420 1 . 1 1 79 79 ALA CA C 79 52.398 52.398 51.933 0.465 25706 421 1 . 1 1 79 79 ALA CB C 79 19.306 19.306 19.466 -0.160 25706 422 1 . 1 1 79 79 ALA H H 79 8.417 8.417 8.285 0.132 25706 423 1 . 1 1 80 80 ALA N N 80 123.467 123.467 122.550 0.917 25706 424 1 . 1 1 80 80 ALA HA H 80 4.290 4.290 4.475 -0.185 25706 425 1 . 1 1 80 80 ALA C C 80 177.000 177.000 176.691 0.309 25706 426 1 . 1 1 80 80 ALA CA C 80 52.010 52.010 52.031 -0.021 25706 427 1 . 1 1 80 80 ALA CB C 80 19.447 19.447 19.705 -0.258 25706 428 1 . 1 1 80 80 ALA H H 80 8.232 8.232 8.203 0.029 25706 429 1 . 1 1 81 81 ALA N N 81 125.029 125.029 123.505 1.524 25706 430 1 . 1 1 81 81 ALA HA H 81 4.562 4.562 4.515 0.047 25706 431 1 . 1 1 81 81 ALA CA C 81 50.431 50.431 51.171 -0.740 25706 432 1 . 1 1 81 81 ALA CB C 81 19.480 19.480 19.016 0.464 25706 433 1 . 1 1 81 81 ALA H H 81 8.250 8.250 8.192 0.058 25706 434 1 . 1 1 82 82 PRO HA H 82 4.412 4.412 4.496 -0.084 25706 435 1 . 1 1 82 82 PRO C C 82 176.531 176.531 176.100 0.431 25706 436 1 . 1 1 82 82 PRO CA C 82 62.998 62.998 62.949 0.049 25706 437 1 . 1 1 82 82 PRO CB C 82 32.083 32.083 31.182 0.900 25706 438 1 . 1 1 83 83 ARG N N 83 122.956 122.956 121.012 1.944 25706 439 1 . 1 1 83 83 ARG HA H 83 4.611 4.611 4.564 0.046 25706 440 1 . 1 1 83 83 ARG CA C 83 53.778 53.778 54.507 -0.729 25706 441 1 . 1 1 83 83 ARG CB C 83 30.242 30.242 30.278 -0.035 25706 442 1 . 1 1 83 83 ARG H H 83 8.384 8.384 7.888 0.496 25706 stop_ save_