data_18831 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18831 _Entry.PDB_ID 2M0X 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 18831 _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 GLN N N 2 121.114 121.114 122.982 -1.868 18831 2 1 1 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.275 0.089 18831 3 1 1 . 1 1 2 2 GLN C C 2 175.892 175.892 175.698 0.194 18831 4 1 1 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.566 -0.738 18831 5 1 1 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.161 -1.213 18831 6 1 1 . 1 1 2 2 GLN H H 2 8.384 8.384 8.266 0.118 18831 7 1 1 . 1 1 3 3 ILE N N 3 114.990 114.990 112.836 2.154 18831 8 1 1 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.286 0.024 18831 9 1 1 . 1 1 3 3 ILE C C 3 172.645 172.645 173.991 -1.346 18831 10 1 1 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.697 -0.922 18831 11 1 1 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.600 -0.236 18831 12 1 1 . 1 1 3 3 ILE H H 3 8.392 8.392 8.026 0.366 18831 13 1 1 . 1 1 4 4 PHE N N 4 118.863 118.863 120.723 -1.860 18831 14 1 1 . 1 1 4 4 PHE HA H 4 5.548 5.548 4.867 0.681 18831 15 1 1 . 1 1 4 4 PHE C C 4 175.076 175.076 175.370 -0.294 18831 16 1 1 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.645 0.415 18831 17 1 1 . 1 1 4 4 PHE CB C 4 40.410 40.410 39.699 0.711 18831 18 1 1 . 1 1 4 4 PHE H H 4 8.731 8.731 7.870 0.861 18831 19 1 1 . 1 1 5 5 VAL N N 5 119.550 119.550 116.244 3.306 18831 20 1 1 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.600 0.455 18831 21 1 1 . 1 1 5 5 VAL C C 5 174.974 174.974 174.829 0.145 18831 22 1 1 . 1 1 5 5 VAL CA C 5 59.904 59.904 60.134 -0.230 18831 23 1 1 . 1 1 5 5 VAL CB C 5 33.375 33.375 33.605 -0.230 18831 24 1 1 . 1 1 5 5 VAL H H 5 9.155 9.155 8.091 1.064 18831 25 1 1 . 1 1 6 6 LYS N N 6 129.015 129.015 127.822 1.193 18831 26 1 1 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.308 0.669 18831 27 1 1 . 1 1 6 6 LYS C C 6 176.045 176.045 176.379 -0.334 18831 28 1 1 . 1 1 6 6 LYS CA C 6 54.697 54.697 56.302 -1.605 18831 29 1 1 . 1 1 6 6 LYS CB C 6 34.391 34.391 32.827 1.564 18831 30 1 1 . 1 1 6 6 LYS H H 6 9.078 9.078 8.494 0.584 18831 31 1 1 . 1 1 7 7 GLY N N 7 111.500 111.500 113.024 -1.524 18831 32 1 1 . 1 1 7 7 GLY C C 7 175.552 175.552 174.782 0.770 18831 33 1 1 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.647 0.277 18831 34 1 1 . 1 1 7 7 GLY H H 7 8.649 8.649 7.928 0.721 18831 35 1 1 . 1 1 8 8 LEU N N 8 120.313 120.313 119.060 1.253 18831 36 1 1 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.193 0.110 18831 37 1 1 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.005 -0.507 18831 38 1 1 . 1 1 8 8 LEU CB C 8 41.779 41.779 42.116 -0.337 18831 39 1 1 . 1 1 8 8 LEU H H 8 8.562 8.562 8.471 0.091 18831 40 1 1 . 1 1 9 9 THR HA H 9 4.564 4.564 4.228 0.336 18831 41 1 1 . 1 1 9 9 THR C C 9 175.093 175.093 175.712 -0.619 18831 42 1 1 . 1 1 9 9 THR CA C 9 60.451 60.451 62.492 -2.041 18831 43 1 1 . 1 1 9 9 THR CB C 9 69.020 69.020 68.948 0.072 18831 44 1 1 . 1 1 10 10 GLY N N 10 109.154 109.154 111.117 -1.963 18831 45 1 1 . 1 1 10 10 GLY C C 10 174.039 174.039 173.996 0.043 18831 46 1 1 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.858 -0.022 18831 47 1 1 . 1 1 10 10 GLY H H 10 8.123 8.123 7.680 0.443 18831 48 1 1 . 1 1 11 11 LYS N N 11 120.968 120.968 123.087 -2.119 18831 49 1 1 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.378 0.422 18831 50 1 1 . 1 1 11 11 LYS CA C 11 55.640 55.640 56.159 -0.519 18831 51 1 1 . 1 1 11 11 LYS CB C 11 32.390 32.390 32.931 -0.541 18831 52 1 1 . 1 1 11 11 LYS H H 11 8.021 8.021 7.665 0.356 18831 53 1 1 . 1 1 12 12 THR HA H 12 5.006 5.006 4.998 0.008 18831 54 1 1 . 1 1 12 12 THR C C 12 174.362 174.362 175.178 -0.816 18831 55 1 1 . 1 1 12 12 THR CA C 12 61.969 61.969 61.212 0.758 18831 56 1 1 . 1 1 12 12 THR CB C 12 61.769 61.769 69.933 -8.164 18831 57 1 1 . 1 1 13 13 THR N N 13 124.317 124.317 120.756 3.561 18831 58 1 1 . 1 1 13 13 THR HA H 13 4.721 4.721 4.635 0.086 18831 59 1 1 . 1 1 13 13 THR C C 13 173.104 173.104 174.377 -1.273 18831 60 1 1 . 1 1 13 13 THR CA C 13 61.786 61.786 61.753 0.033 18831 61 1 1 . 1 1 13 13 THR CB C 13 70.179 70.179 70.657 -0.478 18831 62 1 1 . 1 1 13 13 THR H H 13 9.028 9.028 8.184 0.844 18831 63 1 1 . 1 1 14 14 THR N N 14 122.168 122.168 119.464 2.704 18831 64 1 1 . 1 1 14 14 THR HA H 14 5.055 5.055 4.942 0.113 18831 65 1 1 . 1 1 14 14 THR C C 14 173.274 173.274 173.726 -0.452 18831 66 1 1 . 1 1 14 14 THR CA C 14 61.284 61.284 62.233 -0.949 18831 67 1 1 . 1 1 14 14 THR CB C 14 69.510 69.510 69.676 -0.166 18831 68 1 1 . 1 1 14 14 THR H H 14 8.731 8.731 8.655 0.076 18831 69 1 1 . 1 1 15 15 LEU N N 15 125.117 125.117 124.047 1.070 18831 70 1 1 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.728 0.044 18831 71 1 1 . 1 1 15 15 LEU C C 15 174.702 174.702 175.339 -0.637 18831 72 1 1 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.771 -1.320 18831 73 1 1 . 1 1 15 15 LEU CB C 15 46.271 46.271 46.132 0.139 18831 74 1 1 . 1 1 15 15 LEU H H 15 8.912 8.912 8.425 0.487 18831 75 1 1 . 1 1 16 16 GLU N N 16 122.278 122.278 123.730 -1.452 18831 76 1 1 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.642 0.352 18831 77 1 1 . 1 1 16 16 GLU C C 16 175.926 175.926 175.083 0.843 18831 78 1 1 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.147 -1.087 18831 79 1 1 . 1 1 16 16 GLU CB C 16 28.484 28.484 30.067 -1.583 18831 80 1 1 . 1 1 16 16 GLU H H 16 8.224 8.224 8.588 -0.364 18831 81 1 1 . 1 1 17 17 VAL N N 17 116.959 116.959 119.591 -2.632 18831 82 1 1 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.553 0.223 18831 83 1 1 . 1 1 17 17 VAL C C 17 173.767 173.767 174.055 -0.288 18831 84 1 1 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.674 -1.469 18831 85 1 1 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.851 1.018 18831 86 1 1 . 1 1 17 17 VAL H H 17 8.881 8.881 7.703 1.178 18831 87 1 1 . 1 1 18 18 GLU N N 18 118.016 118.016 120.320 -2.304 18831 88 1 1 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.727 0.335 18831 89 1 1 . 1 1 18 18 GLU CA C 18 52.483 52.483 52.709 -0.226 18831 90 1 1 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.199 -1.606 18831 91 1 1 . 1 1 18 18 GLU H H 18 8.492 8.492 8.386 0.106 18831 92 1 1 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.051 0.131 18831 93 1 1 . 1 1 19 19 PRO C C 19 175.297 175.297 178.099 -2.802 18831 94 1 1 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.999 -1.109 18831 95 1 1 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.884 -0.768 18831 96 1 1 . 1 1 20 20 SER N N 20 103.828 103.828 110.056 -6.228 18831 97 1 1 . 1 1 20 20 SER HA H 20 4.437 4.437 4.195 0.242 18831 98 1 1 . 1 1 20 20 SER C C 20 174.447 174.447 174.758 -0.311 18831 99 1 1 . 1 1 20 20 SER CA C 20 56.743 56.743 59.533 -2.790 18831 100 1 1 . 1 1 20 20 SER CB C 20 62.880 62.880 62.811 0.069 18831 101 1 1 . 1 1 20 20 SER H H 20 7.103 7.103 8.381 -1.278 18831 102 1 1 . 1 1 21 21 ASP N N 21 123.913 123.913 124.471 -0.558 18831 103 1 1 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.574 0.164 18831 104 1 1 . 1 1 21 21 ASP C C 21 176.402 176.402 175.985 0.417 18831 105 1 1 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.913 0.477 18831 106 1 1 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.874 -1.504 18831 107 1 1 . 1 1 21 21 ASP H H 21 8.045 8.045 7.983 0.062 18831 108 1 1 . 1 1 22 22 THR N N 22 109.500 109.500 115.727 -6.227 18831 109 1 1 . 1 1 22 22 THR HA H 22 4.938 4.938 4.519 0.419 18831 110 1 1 . 1 1 22 22 THR C C 22 176.555 176.555 176.141 0.414 18831 111 1 1 . 1 1 22 22 THR CA C 22 59.079 59.079 61.397 -2.318 18831 112 1 1 . 1 1 22 22 THR CB C 22 70.433 70.433 70.924 -0.491 18831 113 1 1 . 1 1 22 22 THR H H 22 7.967 7.967 7.957 0.010 18831 114 1 1 . 1 1 23 23 ILE N N 23 121.579 121.579 121.641 -0.062 18831 115 1 1 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.795 -0.103 18831 116 1 1 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.662 -0.843 18831 117 1 1 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.218 -2.298 18831 118 1 1 . 1 1 23 23 ILE H H 23 8.628 8.628 8.109 0.519 18831 119 1 1 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.842 0.112 18831 120 1 1 . 1 1 24 24 GLU C C 24 179.002 179.002 178.840 0.162 18831 121 1 1 . 1 1 24 24 GLU CA C 24 60.330 60.330 59.972 0.358 18831 122 1 1 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.228 -1.288 18831 123 1 1 . 1 1 25 25 ASN N N 25 121.468 121.468 117.792 3.676 18831 124 1 1 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.539 0.081 18831 125 1 1 . 1 1 25 25 ASN C C 25 178.322 178.322 177.826 0.496 18831 126 1 1 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.784 -0.540 18831 127 1 1 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.188 -0.428 18831 128 1 1 . 1 1 25 25 ASN H H 25 7.953 7.953 7.475 0.478 18831 129 1 1 . 1 1 26 26 VAL N N 26 122.536 122.536 120.778 1.758 18831 130 1 1 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.534 -0.050 18831 131 1 1 . 1 1 26 26 VAL C C 26 177.812 177.812 178.078 -0.266 18831 132 1 1 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.975 0.071 18831 133 1 1 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.232 -0.932 18831 134 1 1 . 1 1 26 26 VAL H H 26 8.312 8.312 7.710 0.602 18831 135 1 1 . 1 1 27 27 LYS N N 27 119.303 119.303 119.011 0.292 18831 136 1 1 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.946 0.641 18831 137 1 1 . 1 1 27 27 LYS C C 27 180.277 180.277 179.068 1.209 18831 138 1 1 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.950 -1.067 18831 139 1 1 . 1 1 27 27 LYS CB C 27 33.103 33.103 31.988 1.115 18831 140 1 1 . 1 1 27 27 LYS H H 27 8.742 8.742 8.571 0.171 18831 141 1 1 . 1 1 28 28 ALA N N 28 123.505 123.505 122.440 1.065 18831 142 1 1 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.120 0.110 18831 143 1 1 . 1 1 28 28 ALA C C 28 180.215 180.215 179.196 1.019 18831 144 1 1 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.795 0.045 18831 145 1 1 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.431 -1.335 18831 146 1 1 . 1 1 28 28 ALA H H 28 7.877 7.877 7.499 0.378 18831 147 1 1 . 1 1 29 29 LYS N N 29 120.598 120.598 118.668 1.930 18831 148 1 1 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.149 0.101 18831 149 1 1 . 1 1 29 29 LYS C C 29 180.229 180.229 179.297 0.932 18831 150 1 1 . 1 1 29 29 LYS CA C 29 59.142 59.142 59.312 -0.170 18831 151 1 1 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.461 0.059 18831 152 1 1 . 1 1 29 29 LYS H H 29 7.927 7.927 7.786 0.141 18831 153 1 1 . 1 1 30 30 ILE N N 30 121.068 121.068 120.286 0.782 18831 154 1 1 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.641 -0.061 18831 155 1 1 . 1 1 30 30 ILE C C 30 180.286 180.286 177.367 2.919 18831 156 1 1 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.285 0.092 18831 157 1 1 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.915 -1.475 18831 158 1 1 . 1 1 30 30 ILE H H 30 8.614 8.614 8.201 0.413 18831 159 1 1 . 1 1 31 31 GLN N N 31 126.930 126.930 118.961 7.969 18831 160 1 1 . 1 1 31 31 GLN HA H 31 3.997 3.997 4.072 -0.075 18831 161 1 1 . 1 1 31 31 GLN C C 31 178.844 178.844 177.184 1.660 18831 162 1 1 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.630 0.556 18831 163 1 1 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.285 -1.185 18831 164 1 1 . 1 1 31 31 GLN H H 31 8.756 8.756 8.265 0.491 18831 165 1 1 . 1 1 32 32 ASP N N 32 120.549 120.549 118.737 1.812 18831 166 1 1 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.613 -0.199 18831 167 1 1 . 1 1 32 32 ASP C C 32 177.501 177.501 177.377 0.124 18831 168 1 1 . 1 1 32 32 ASP CA C 32 57.031 57.031 56.316 0.715 18831 169 1 1 . 1 1 32 32 ASP CB C 32 40.370 40.370 40.872 -0.502 18831 170 1 1 . 1 1 32 32 ASP H H 32 8.033 8.033 7.755 0.278 18831 171 1 1 . 1 1 33 33 LYS N N 33 113.834 113.834 118.827 -4.993 18831 172 1 1 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.203 0.130 18831 173 1 1 . 1 1 33 33 LYS C C 33 178.038 178.038 178.001 0.037 18831 174 1 1 . 1 1 33 33 LYS CA C 33 56.860 56.860 58.236 -1.376 18831 175 1 1 . 1 1 33 33 LYS CB C 33 33.360 33.360 32.954 0.406 18831 176 1 1 . 1 1 33 33 LYS H H 33 7.386 7.386 7.509 -0.123 18831 177 1 1 . 1 1 34 34 THR N N 34 106.465 106.465 109.675 -3.210 18831 178 1 1 . 1 1 34 34 THR HA H 34 4.718 4.718 4.470 0.248 18831 179 1 1 . 1 1 34 34 THR C C 34 175.819 175.819 176.269 -0.450 18831 180 1 1 . 1 1 34 34 THR CA C 34 62.179 62.179 62.247 -0.068 18831 181 1 1 . 1 1 34 34 THR CB C 34 72.477 72.477 69.728 2.749 18831 182 1 1 . 1 1 34 34 THR H H 34 8.263 8.263 8.292 -0.029 18831 183 1 1 . 1 1 35 35 GLY N N 35 112.744 112.744 110.084 2.660 18831 184 1 1 . 1 1 35 35 GLY C C 35 174.166 174.166 174.390 -0.224 18831 185 1 1 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.666 -1.060 18831 186 1 1 . 1 1 35 35 GLY H H 35 8.810 8.810 7.921 0.889 18831 187 1 1 . 1 1 36 36 LEU N N 36 125.200 125.200 122.568 2.632 18831 188 1 1 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.587 -0.052 18831 189 1 1 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.933 0.151 18831 190 1 1 . 1 1 36 36 LEU CB C 36 42.445 42.445 41.967 0.478 18831 191 1 1 . 1 1 36 36 LEU H H 36 7.614 7.614 7.252 0.362 18831 192 1 1 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.633 0.031 18831 193 1 1 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.343 -0.443 18831 194 1 1 . 1 1 37 37 PRO CB C 37 30.870 30.870 30.843 0.027 18831 195 1 1 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.305 -0.155 18831 196 1 1 . 1 1 38 38 PRO C C 38 178.123 178.123 177.905 0.218 18831 197 1 1 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.505 0.096 18831 198 1 1 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.441 0.959 18831 199 1 1 . 1 1 39 39 ASP N N 39 113.380 113.380 115.361 -1.981 18831 200 1 1 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.491 -0.014 18831 201 1 1 . 1 1 39 39 ASP C C 39 176.823 176.823 176.601 0.222 18831 202 1 1 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.132 -0.082 18831 203 1 1 . 1 1 39 39 ASP CB C 39 39.150 39.150 39.099 0.051 18831 204 1 1 . 1 1 39 39 ASP H H 39 8.518 8.518 8.614 -0.096 18831 205 1 1 . 1 1 40 40 GLN N N 40 116.933 116.933 117.929 -0.996 18831 206 1 1 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.644 -0.099 18831 207 1 1 . 1 1 40 40 GLN C C 40 174.900 174.900 174.661 0.239 18831 208 1 1 . 1 1 40 40 GLN CA C 40 54.940 54.940 55.253 -0.313 18831 209 1 1 . 1 1 40 40 GLN CB C 40 29.160 29.160 30.058 -0.898 18831 210 1 1 . 1 1 40 40 GLN H H 40 7.864 7.864 7.595 0.269 18831 211 1 1 . 1 1 41 41 GLN N N 41 118.389 118.389 118.629 -0.240 18831 212 1 1 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.630 -0.249 18831 213 1 1 . 1 1 41 41 GLN C C 41 175.848 175.848 174.732 1.116 18831 214 1 1 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.154 0.122 18831 215 1 1 . 1 1 41 41 GLN CB C 41 30.840 30.840 31.511 -0.671 18831 216 1 1 . 1 1 41 41 GLN H H 41 7.446 7.446 7.340 0.106 18831 217 1 1 . 1 1 42 42 ARG N N 42 123.499 123.499 122.782 0.717 18831 218 1 1 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.555 0.006 18831 219 1 1 . 1 1 42 42 ARG C C 42 173.812 173.812 174.052 -0.240 18831 220 1 1 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.818 -0.885 18831 221 1 1 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.688 -1.881 18831 222 1 1 . 1 1 42 42 ARG H H 42 8.408 8.408 8.628 -0.220 18831 223 1 1 . 1 1 43 43 LEU N N 43 124.567 124.567 126.627 -2.060 18831 224 1 1 . 1 1 43 43 LEU HA H 43 5.361 5.361 4.745 0.616 18831 225 1 1 . 1 1 43 43 LEU C C 43 175.353 175.353 175.502 -0.149 18831 226 1 1 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.810 -1.237 18831 227 1 1 . 1 1 43 43 LEU CB C 43 44.714 44.714 43.778 0.936 18831 228 1 1 . 1 1 43 43 LEU H H 43 8.859 8.859 8.675 0.184 18831 229 1 1 . 1 1 44 44 ILE N N 44 122.662 122.662 122.371 0.291 18831 230 1 1 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.939 0.061 18831 231 1 1 . 1 1 44 44 ILE C C 44 175.579 175.579 174.439 1.140 18831 232 1 1 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.338 -2.028 18831 233 1 1 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.818 -1.290 18831 234 1 1 . 1 1 44 44 ILE H H 44 9.206 9.206 8.290 0.916 18831 235 1 1 . 1 1 45 45 PHE N N 45 124.709 124.709 127.378 -2.669 18831 236 1 1 . 1 1 45 45 PHE HA H 45 5.238 5.238 5.008 0.230 18831 237 1 1 . 1 1 45 45 PHE C C 45 174.561 174.561 175.334 -0.773 18831 238 1 1 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.578 0.271 18831 239 1 1 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.842 0.048 18831 240 1 1 . 1 1 45 45 PHE H H 45 8.828 8.828 9.011 -0.183 18831 241 1 1 . 1 1 46 46 ALA N N 46 132.860 132.860 129.776 3.084 18831 242 1 1 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.591 0.160 18831 243 1 1 . 1 1 46 46 ALA C C 46 177.247 177.247 177.134 0.113 18831 244 1 1 . 1 1 46 46 ALA CA C 46 51.858 51.858 52.954 -1.096 18831 245 1 1 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.694 -0.809 18831 246 1 1 . 1 1 46 46 ALA H H 46 9.010 9.010 8.917 0.093 18831 247 1 1 . 1 1 47 47 GLY N N 47 102.630 102.630 102.566 0.064 18831 248 1 1 . 1 1 47 47 GLY C C 47 173.643 173.643 174.408 -0.765 18831 249 1 1 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.080 -0.376 18831 250 1 1 . 1 1 47 47 GLY H H 47 8.089 8.089 8.709 -0.620 18831 251 1 1 . 1 1 48 48 LYS N N 48 122.237 122.237 121.985 0.252 18831 252 1 1 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.486 0.181 18831 253 1 1 . 1 1 48 48 LYS C C 48 174.519 174.519 175.312 -0.793 18831 254 1 1 . 1 1 48 48 LYS CA C 48 54.001 54.001 55.240 -1.240 18831 255 1 1 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.678 -0.128 18831 256 1 1 . 1 1 48 48 LYS H H 48 8.028 8.028 8.135 -0.107 18831 257 1 1 . 1 1 49 49 GLN N N 49 123.092 123.092 125.055 -1.963 18831 258 1 1 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.391 0.106 18831 259 1 1 . 1 1 49 49 GLN C C 49 175.635 175.635 175.524 0.111 18831 260 1 1 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.665 -0.275 18831 261 1 1 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.602 -1.195 18831 262 1 1 . 1 1 49 49 GLN H H 49 8.643 8.643 8.662 -0.019 18831 263 1 1 . 1 1 50 50 LEU N N 50 125.507 125.507 127.474 -1.967 18831 264 1 1 . 1 1 50 50 LEU HA H 50 4.153 4.153 3.953 0.200 18831 265 1 1 . 1 1 50 50 LEU C C 50 176.611 176.611 176.298 0.313 18831 266 1 1 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.578 -1.007 18831 267 1 1 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.475 -1.672 18831 268 1 1 . 1 1 50 50 LEU H H 50 8.544 8.544 7.890 0.654 18831 269 1 1 . 1 1 51 51 GLU N N 51 123.223 123.223 119.028 4.195 18831 270 1 1 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.547 0.062 18831 271 1 1 . 1 1 51 51 GLU C C 51 175.226 175.226 174.714 0.512 18831 272 1 1 . 1 1 51 51 GLU CA C 51 55.480 55.480 55.057 0.423 18831 273 1 1 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.859 -2.559 18831 274 1 1 . 1 1 51 51 GLU H H 51 8.410 8.410 8.978 -0.568 18831 275 1 1 . 1 1 52 52 ASP N N 52 120.438 120.438 120.806 -0.368 18831 276 1 1 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.527 -0.094 18831 277 1 1 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.655 0.337 18831 278 1 1 . 1 1 52 52 ASP CB C 52 40.080 40.080 41.188 -1.108 18831 279 1 1 . 1 1 52 52 ASP H H 52 8.202 8.202 8.601 -0.399 18831 280 1 1 . 1 1 53 53 GLY C C 53 174.703 174.703 174.618 0.085 18831 281 1 1 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.440 -0.631 18831 282 1 1 . 1 1 54 54 ARG N N 54 119.424 119.424 121.572 -2.148 18831 283 1 1 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.907 -0.111 18831 284 1 1 . 1 1 54 54 ARG C C 54 175.226 175.226 175.869 -0.643 18831 285 1 1 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.133 -0.566 18831 286 1 1 . 1 1 54 54 ARG CB C 54 31.960 31.960 32.373 -0.413 18831 287 1 1 . 1 1 54 54 ARG H H 54 7.485 7.485 7.550 -0.065 18831 288 1 1 . 1 1 55 55 THR N N 55 109.146 109.146 110.016 -0.870 18831 289 1 1 . 1 1 55 55 THR HA H 55 5.330 5.330 4.831 0.499 18831 290 1 1 . 1 1 55 55 THR C C 55 176.484 176.484 175.282 1.202 18831 291 1 1 . 1 1 55 55 THR CA C 55 59.151 59.151 59.560 -0.409 18831 292 1 1 . 1 1 55 55 THR CB C 55 71.868 71.868 72.232 -0.364 18831 293 1 1 . 1 1 55 55 THR H H 55 8.915 8.915 8.049 0.866 18831 294 1 1 . 1 1 56 56 LEU N N 56 117.771 117.771 120.867 -3.096 18831 295 1 1 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.187 -0.063 18831 296 1 1 . 1 1 56 56 LEU C C 56 180.611 180.611 178.705 1.906 18831 297 1 1 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.314 -0.339 18831 298 1 1 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.626 -1.850 18831 299 1 1 . 1 1 56 56 LEU H H 56 8.192 8.192 8.993 -0.801 18831 300 1 1 . 1 1 57 57 SER N N 57 113.230 113.230 112.433 0.797 18831 301 1 1 . 1 1 57 57 SER HA H 57 4.323 4.323 4.150 0.173 18831 302 1 1 . 1 1 57 57 SER C C 57 178.166 178.166 175.504 2.662 18831 303 1 1 . 1 1 57 57 SER CA C 57 60.523 60.523 60.907 -0.384 18831 304 1 1 . 1 1 57 57 SER CB C 57 61.940 61.940 62.738 -0.798 18831 305 1 1 . 1 1 57 57 SER H H 57 8.423 8.423 8.196 0.227 18831 306 1 1 . 1 1 58 58 ASP N N 58 124.565 124.565 122.384 2.181 18831 307 1 1 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.475 -0.133 18831 308 1 1 . 1 1 58 58 ASP C C 58 177.303 177.303 177.201 0.102 18831 309 1 1 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.143 0.717 18831 310 1 1 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.700 -0.913 18831 311 1 1 . 1 1 58 58 ASP H H 58 7.945 7.945 7.553 0.392 18831 312 1 1 . 1 1 59 59 TYR N N 59 115.843 115.843 116.771 -0.928 18831 313 1 1 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.526 0.170 18831 314 1 1 . 1 1 59 59 TYR C C 59 174.590 174.590 175.482 -0.892 18831 315 1 1 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.279 -0.534 18831 316 1 1 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.240 1.190 18831 317 1 1 . 1 1 59 59 TYR H H 59 7.311 7.311 7.442 -0.131 18831 318 1 1 . 1 1 60 60 ASN N N 60 115.827 115.827 115.911 -0.084 18831 319 1 1 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.326 0.081 18831 320 1 1 . 1 1 60 60 ASN C C 60 174.165 174.165 174.568 -0.403 18831 321 1 1 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.048 -0.465 18831 322 1 1 . 1 1 60 60 ASN CB C 60 36.726 36.726 37.325 -0.599 18831 323 1 1 . 1 1 60 60 ASN H H 60 8.161 8.161 7.687 0.474 18831 324 1 1 . 1 1 61 61 ILE N N 61 118.960 118.960 120.498 -1.538 18831 325 1 1 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.497 -0.094 18831 326 1 1 . 1 1 61 61 ILE C C 61 174.378 174.378 175.463 -1.085 18831 327 1 1 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.707 -0.781 18831 328 1 1 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.123 -0.864 18831 329 1 1 . 1 1 61 61 ILE H H 61 7.211 7.211 7.899 -0.688 18831 330 1 1 . 1 1 62 62 GLN N N 62 124.901 124.901 126.223 -1.322 18831 331 1 1 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.477 0.111 18831 332 1 1 . 1 1 62 62 GLN C C 62 175.611 175.611 175.956 -0.345 18831 333 1 1 . 1 1 62 62 GLN CA C 62 53.110 53.110 54.318 -1.208 18831 334 1 1 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.429 0.664 18831 335 1 1 . 1 1 62 62 GLN H H 62 7.665 7.665 7.904 -0.239 18831 336 1 1 . 1 1 63 63 LYS N N 63 120.318 120.318 120.195 0.123 18831 337 1 1 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.118 -0.084 18831 338 1 1 . 1 1 63 63 LYS C C 63 175.880 175.880 176.971 -1.091 18831 339 1 1 . 1 1 63 63 LYS CA C 63 57.460 57.460 57.049 0.411 18831 340 1 1 . 1 1 63 63 LYS CB C 63 31.860 31.860 32.933 -1.073 18831 341 1 1 . 1 1 63 63 LYS H H 63 8.473 8.473 8.251 0.222 18831 342 1 1 . 1 1 64 64 GLU N N 64 114.842 114.842 118.839 -3.997 18831 343 1 1 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.618 0.808 18831 344 1 1 . 1 1 64 64 GLU C C 64 175.202 175.202 175.377 -0.175 18831 345 1 1 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.712 1.101 18831 346 1 1 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.646 -2.195 18831 347 1 1 . 1 1 64 64 GLU H H 64 9.299 9.299 7.981 1.318 18831 348 1 1 . 1 1 65 65 SER N N 65 115.119 115.119 114.584 0.535 18831 349 1 1 . 1 1 65 65 SER HA H 65 4.712 4.712 4.488 0.224 18831 350 1 1 . 1 1 65 65 SER C C 65 171.974 171.974 174.336 -2.362 18831 351 1 1 . 1 1 65 65 SER CA C 65 60.390 60.390 60.014 0.376 18831 352 1 1 . 1 1 65 65 SER CB C 65 64.259 64.259 63.696 0.563 18831 353 1 1 . 1 1 65 65 SER H H 65 7.778 7.778 7.276 0.502 18831 354 1 1 . 1 1 66 66 THR N N 66 117.698 117.698 123.176 -5.478 18831 355 1 1 . 1 1 66 66 THR HA H 66 5.342 5.342 4.791 0.551 18831 356 1 1 . 1 1 66 66 THR C C 66 173.567 173.567 174.677 -1.110 18831 357 1 1 . 1 1 66 66 THR CA C 66 61.850 61.850 62.719 -0.869 18831 358 1 1 . 1 1 66 66 THR CB C 66 69.772 69.772 69.151 0.621 18831 359 1 1 . 1 1 66 66 THR H H 66 8.764 8.764 8.582 0.182 18831 360 1 1 . 1 1 67 67 LEU N N 67 127.655 127.655 126.240 1.415 18831 361 1 1 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.671 0.471 18831 362 1 1 . 1 1 67 67 LEU C C 67 175.119 175.119 176.149 -1.030 18831 363 1 1 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.496 -0.276 18831 364 1 1 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.340 0.459 18831 365 1 1 . 1 1 67 67 LEU H H 67 9.400 9.400 7.597 1.803 18831 366 1 1 . 1 1 68 68 HIS N N 68 120.510 120.510 116.243 4.267 18831 367 1 1 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.866 0.557 18831 368 1 1 . 1 1 68 68 HIS C C 68 174.246 174.246 174.295 -0.049 18831 369 1 1 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.620 -0.538 18831 370 1 1 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.725 0.585 18831 371 1 1 . 1 1 68 68 HIS H H 68 9.128 9.128 8.381 0.747 18831 372 1 1 . 1 1 69 69 ILE N N 69 120.349 120.349 126.149 -5.800 18831 373 1 1 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.345 0.828 18831 374 1 1 . 1 1 69 69 ILE C C 69 174.800 174.800 175.637 -0.837 18831 375 1 1 . 1 1 69 69 ILE CA C 69 58.474 58.474 61.320 -2.846 18831 376 1 1 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.295 1.797 18831 377 1 1 . 1 1 69 69 ILE H H 69 8.369 8.369 8.103 0.266 18831 378 1 1 . 1 1 70 70 VAL N N 70 126.551 126.551 128.506 -1.955 18831 379 1 1 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.265 0.102 18831 380 1 1 . 1 1 70 70 VAL C C 70 174.467 174.467 174.698 -0.231 18831 381 1 1 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.405 -1.106 18831 382 1 1 . 1 1 70 70 VAL CB C 70 33.550 33.550 32.388 1.162 18831 383 1 1 . 1 1 70 70 VAL H H 70 8.944 8.944 8.171 0.773 18831 384 1 1 . 1 1 71 71 TRP N N 71 125.438 125.438 131.689 -6.251 18831 385 1 1 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.882 0.226 18831 386 1 1 . 1 1 71 71 TRP C C 71 175.797 175.797 175.119 0.678 18831 387 1 1 . 1 1 71 71 TRP CA C 71 55.745 55.745 56.089 -0.344 18831 388 1 1 . 1 1 71 71 TRP CB C 71 30.099 30.099 29.835 0.264 18831 389 1 1 . 1 1 71 71 TRP H H 71 8.425 8.425 8.576 -0.151 18831 390 1 1 . 1 1 72 72 ARG N N 72 125.700 125.700 128.614 -2.914 18831 391 1 1 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.126 0.157 18831 392 1 1 . 1 1 72 72 ARG C C 72 174.661 174.661 173.889 0.772 18831 393 1 1 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.188 -0.131 18831 394 1 1 . 1 1 72 72 ARG CB C 72 30.560 30.560 32.796 -2.236 18831 395 1 1 . 1 1 72 72 ARG H H 72 8.261 8.261 8.534 -0.273 18831 396 1 1 . 1 1 73 73 LEU N N 73 123.370 123.370 125.874 -2.504 18831 397 1 1 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.638 -0.418 18831 398 1 1 . 1 1 73 73 LEU C C 73 177.072 177.072 177.477 -0.405 18831 399 1 1 . 1 1 73 73 LEU CA C 73 54.630 54.630 55.023 -0.393 18831 400 1 1 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.589 -0.947 18831 401 1 1 . 1 1 73 73 LEU H H 73 7.901 7.901 8.353 -0.452 18831 402 1 1 . 1 1 74 74 ARG N N 74 121.200 121.200 123.810 -2.610 18831 403 1 1 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.266 0.021 18831 404 1 1 . 1 1 74 74 ARG C C 74 176.609 176.609 176.633 -0.024 18831 405 1 1 . 1 1 74 74 ARG CA C 74 55.770 55.770 55.888 -0.118 18831 406 1 1 . 1 1 74 74 ARG CB C 74 29.900 29.900 30.153 -0.253 18831 407 1 1 . 1 1 74 74 ARG H H 74 8.211 8.211 9.025 -0.814 18831 408 1 1 . 1 1 75 75 GLY N N 75 110.833 110.833 107.376 3.457 18831 409 1 1 . 1 1 75 75 GLY C C 75 173.520 173.520 174.226 -0.706 18831 410 1 1 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.805 -0.224 18831 411 1 1 . 1 1 75 75 GLY H H 75 8.434 8.434 8.185 0.249 18831 412 1 2 . 1 1 2 2 GLN N N 2 121.114 121.114 120.723 0.391 18831 413 1 2 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.299 0.065 18831 414 1 2 . 1 1 2 2 GLN C C 2 175.892 175.892 175.864 0.028 18831 415 1 2 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.580 -0.752 18831 416 1 2 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.305 -1.357 18831 417 1 2 . 1 1 2 2 GLN H H 2 8.384 8.384 8.385 -0.001 18831 418 1 2 . 1 1 3 3 ILE N N 3 114.990 114.990 113.143 1.847 18831 419 1 2 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.267 0.043 18831 420 1 2 . 1 1 3 3 ILE C C 3 172.645 172.645 173.966 -1.321 18831 421 1 2 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.493 -0.718 18831 422 1 2 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.523 -0.159 18831 423 1 2 . 1 1 3 3 ILE H H 3 8.392 8.392 8.416 -0.024 18831 424 1 2 . 1 1 4 4 PHE N N 4 118.863 118.863 120.973 -2.110 18831 425 1 2 . 1 1 4 4 PHE HA H 4 5.548 5.548 4.994 0.554 18831 426 1 2 . 1 1 4 4 PHE C C 4 175.076 175.076 175.652 -0.576 18831 427 1 2 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.564 0.496 18831 428 1 2 . 1 1 4 4 PHE CB C 4 40.410 40.410 39.312 1.098 18831 429 1 2 . 1 1 4 4 PHE H H 4 8.731 8.731 8.004 0.727 18831 430 1 2 . 1 1 5 5 VAL N N 5 119.550 119.550 116.119 3.431 18831 431 1 2 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.614 0.441 18831 432 1 2 . 1 1 5 5 VAL C C 5 174.974 174.974 174.936 0.038 18831 433 1 2 . 1 1 5 5 VAL CA C 5 59.904 59.904 60.334 -0.430 18831 434 1 2 . 1 1 5 5 VAL CB C 5 33.375 33.375 33.393 -0.018 18831 435 1 2 . 1 1 5 5 VAL H H 5 9.155 9.155 8.134 1.021 18831 436 1 2 . 1 1 6 6 LYS N N 6 129.015 129.015 127.849 1.166 18831 437 1 2 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.448 0.529 18831 438 1 2 . 1 1 6 6 LYS C C 6 176.045 176.045 176.143 -0.098 18831 439 1 2 . 1 1 6 6 LYS CA C 6 54.697 54.697 56.313 -1.616 18831 440 1 2 . 1 1 6 6 LYS CB C 6 34.391 34.391 33.928 0.463 18831 441 1 2 . 1 1 6 6 LYS H H 6 9.078 9.078 8.133 0.945 18831 442 1 2 . 1 1 7 7 GLY N N 7 111.500 111.500 111.564 -0.064 18831 443 1 2 . 1 1 7 7 GLY C C 7 175.552 175.552 176.208 -0.656 18831 444 1 2 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.808 0.116 18831 445 1 2 . 1 1 7 7 GLY H H 7 8.649 8.649 7.812 0.837 18831 446 1 2 . 1 1 8 8 LEU N N 8 120.313 120.313 119.675 0.638 18831 447 1 2 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.154 0.149 18831 448 1 2 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.104 -0.606 18831 449 1 2 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.894 -0.115 18831 450 1 2 . 1 1 8 8 LEU H H 8 8.562 8.562 8.740 -0.178 18831 451 1 2 . 1 1 9 9 THR HA H 9 4.564 4.564 4.387 0.177 18831 452 1 2 . 1 1 9 9 THR C C 9 175.093 175.093 175.704 -0.611 18831 453 1 2 . 1 1 9 9 THR CA C 9 60.451 60.451 61.712 -1.261 18831 454 1 2 . 1 1 9 9 THR CB C 9 69.020 69.020 69.030 -0.010 18831 455 1 2 . 1 1 10 10 GLY N N 10 109.154 109.154 110.833 -1.679 18831 456 1 2 . 1 1 10 10 GLY C C 10 174.039 174.039 173.948 0.091 18831 457 1 2 . 1 1 10 10 GLY CA C 10 44.836 44.836 45.418 -0.582 18831 458 1 2 . 1 1 10 10 GLY H H 10 8.123 8.123 7.760 0.363 18831 459 1 2 . 1 1 11 11 LYS N N 11 120.968 120.968 121.626 -0.658 18831 460 1 2 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.381 0.419 18831 461 1 2 . 1 1 11 11 LYS CA C 11 55.640 55.640 55.472 0.168 18831 462 1 2 . 1 1 11 11 LYS CB C 11 32.390 32.390 32.918 -0.528 18831 463 1 2 . 1 1 11 11 LYS H H 11 8.021 8.021 7.947 0.074 18831 464 1 2 . 1 1 12 12 THR HA H 12 5.006 5.006 4.923 0.083 18831 465 1 2 . 1 1 12 12 THR C C 12 174.362 174.362 174.770 -0.408 18831 466 1 2 . 1 1 12 12 THR CA C 12 61.969 61.969 61.153 0.816 18831 467 1 2 . 1 1 12 12 THR CB C 12 61.769 61.769 69.697 -7.928 18831 468 1 2 . 1 1 13 13 THR N N 13 124.317 124.317 121.923 2.394 18831 469 1 2 . 1 1 13 13 THR HA H 13 4.721 4.721 4.570 0.151 18831 470 1 2 . 1 1 13 13 THR C C 13 173.104 173.104 174.439 -1.335 18831 471 1 2 . 1 1 13 13 THR CA C 13 61.786 61.786 61.672 0.114 18831 472 1 2 . 1 1 13 13 THR CB C 13 70.179 70.179 70.713 -0.534 18831 473 1 2 . 1 1 13 13 THR H H 13 9.028 9.028 8.164 0.864 18831 474 1 2 . 1 1 14 14 THR N N 14 122.168 122.168 120.296 1.872 18831 475 1 2 . 1 1 14 14 THR HA H 14 5.055 5.055 4.829 0.226 18831 476 1 2 . 1 1 14 14 THR C C 14 173.274 173.274 173.376 -0.102 18831 477 1 2 . 1 1 14 14 THR CA C 14 61.284 61.284 62.612 -1.328 18831 478 1 2 . 1 1 14 14 THR CB C 14 69.510 69.510 69.103 0.407 18831 479 1 2 . 1 1 14 14 THR H H 14 8.731 8.731 8.667 0.064 18831 480 1 2 . 1 1 15 15 LEU N N 15 125.117 125.117 125.561 -0.444 18831 481 1 2 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.739 0.033 18831 482 1 2 . 1 1 15 15 LEU C C 15 174.702 174.702 175.337 -0.635 18831 483 1 2 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.695 -1.244 18831 484 1 2 . 1 1 15 15 LEU CB C 15 46.271 46.271 45.734 0.537 18831 485 1 2 . 1 1 15 15 LEU H H 15 8.912 8.912 8.872 0.040 18831 486 1 2 . 1 1 16 16 GLU N N 16 122.278 122.278 124.075 -1.797 18831 487 1 2 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.407 0.587 18831 488 1 2 . 1 1 16 16 GLU C C 16 175.926 175.926 175.331 0.595 18831 489 1 2 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.196 -1.136 18831 490 1 2 . 1 1 16 16 GLU CB C 16 28.484 28.484 30.200 -1.716 18831 491 1 2 . 1 1 16 16 GLU H H 16 8.224 8.224 8.726 -0.502 18831 492 1 2 . 1 1 17 17 VAL N N 17 116.959 116.959 119.699 -2.740 18831 493 1 2 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.533 0.243 18831 494 1 2 . 1 1 17 17 VAL C C 17 173.767 173.767 174.239 -0.472 18831 495 1 2 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.667 -1.462 18831 496 1 2 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.939 0.930 18831 497 1 2 . 1 1 17 17 VAL H H 17 8.881 8.881 8.010 0.871 18831 498 1 2 . 1 1 18 18 GLU N N 18 118.016 118.016 120.317 -2.301 18831 499 1 2 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.732 0.330 18831 500 1 2 . 1 1 18 18 GLU CA C 18 52.483 52.483 52.745 -0.262 18831 501 1 2 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.520 -1.927 18831 502 1 2 . 1 1 18 18 GLU H H 18 8.492 8.492 8.373 0.119 18831 503 1 2 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.097 0.085 18831 504 1 2 . 1 1 19 19 PRO C C 19 175.297 175.297 178.104 -2.807 18831 505 1 2 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.928 -1.038 18831 506 1 2 . 1 1 19 19 PRO CB C 19 31.116 31.116 32.043 -0.927 18831 507 1 2 . 1 1 20 20 SER N N 20 103.828 103.828 111.760 -7.932 18831 508 1 2 . 1 1 20 20 SER HA H 20 4.437 4.437 4.231 0.206 18831 509 1 2 . 1 1 20 20 SER C C 20 174.447 174.447 174.911 -0.464 18831 510 1 2 . 1 1 20 20 SER CA C 20 56.743 56.743 60.148 -3.405 18831 511 1 2 . 1 1 20 20 SER CB C 20 62.880 62.880 63.070 -0.190 18831 512 1 2 . 1 1 20 20 SER H H 20 7.103 7.103 8.395 -1.292 18831 513 1 2 . 1 1 21 21 ASP N N 21 123.913 123.913 122.378 1.535 18831 514 1 2 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.513 0.225 18831 515 1 2 . 1 1 21 21 ASP C C 21 176.402 176.402 176.279 0.123 18831 516 1 2 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.840 0.550 18831 517 1 2 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.651 -1.281 18831 518 1 2 . 1 1 21 21 ASP H H 21 8.045 8.045 7.802 0.243 18831 519 1 2 . 1 1 22 22 THR N N 22 109.500 109.500 114.220 -4.720 18831 520 1 2 . 1 1 22 22 THR HA H 22 4.938 4.938 4.415 0.523 18831 521 1 2 . 1 1 22 22 THR C C 22 176.555 176.555 175.954 0.601 18831 522 1 2 . 1 1 22 22 THR CA C 22 59.079 59.079 60.975 -1.896 18831 523 1 2 . 1 1 22 22 THR CB C 22 70.433 70.433 71.093 -0.659 18831 524 1 2 . 1 1 22 22 THR H H 22 7.967 7.967 7.752 0.215 18831 525 1 2 . 1 1 23 23 ILE N N 23 121.579 121.579 122.029 -0.450 18831 526 1 2 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.706 -0.014 18831 527 1 2 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.872 -1.053 18831 528 1 2 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.479 -2.559 18831 529 1 2 . 1 1 23 23 ILE H H 23 8.628 8.628 8.324 0.304 18831 530 1 2 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.902 0.052 18831 531 1 2 . 1 1 24 24 GLU C C 24 179.002 179.002 178.611 0.391 18831 532 1 2 . 1 1 24 24 GLU CA C 24 60.330 60.330 59.931 0.399 18831 533 1 2 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.243 -1.303 18831 534 1 2 . 1 1 25 25 ASN N N 25 121.468 121.468 117.641 3.827 18831 535 1 2 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.468 0.152 18831 536 1 2 . 1 1 25 25 ASN C C 25 178.322 178.322 177.745 0.577 18831 537 1 2 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.852 -0.608 18831 538 1 2 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.745 -0.985 18831 539 1 2 . 1 1 25 25 ASN H H 25 7.953 7.953 7.531 0.422 18831 540 1 2 . 1 1 26 26 VAL N N 26 122.536 122.536 120.843 1.693 18831 541 1 2 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.447 0.037 18831 542 1 2 . 1 1 26 26 VAL C C 26 177.812 177.812 178.014 -0.202 18831 543 1 2 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.821 0.225 18831 544 1 2 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.597 -1.297 18831 545 1 2 . 1 1 26 26 VAL H H 26 8.312 8.312 7.572 0.740 18831 546 1 2 . 1 1 27 27 LYS N N 27 119.303 119.303 119.030 0.273 18831 547 1 2 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.960 0.627 18831 548 1 2 . 1 1 27 27 LYS C C 27 180.277 180.277 178.739 1.538 18831 549 1 2 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.768 -0.885 18831 550 1 2 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.040 1.063 18831 551 1 2 . 1 1 27 27 LYS H H 27 8.742 8.742 8.483 0.259 18831 552 1 2 . 1 1 28 28 ALA N N 28 123.505 123.505 121.442 2.063 18831 553 1 2 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.154 0.076 18831 554 1 2 . 1 1 28 28 ALA C C 28 180.215 180.215 178.882 1.333 18831 555 1 2 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.570 0.270 18831 556 1 2 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.377 -1.280 18831 557 1 2 . 1 1 28 28 ALA H H 28 7.877 7.877 7.249 0.628 18831 558 1 2 . 1 1 29 29 LYS N N 29 120.598 120.598 117.983 2.615 18831 559 1 2 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.166 0.084 18831 560 1 2 . 1 1 29 29 LYS C C 29 180.229 180.229 179.582 0.647 18831 561 1 2 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.985 0.157 18831 562 1 2 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.561 -0.041 18831 563 1 2 . 1 1 29 29 LYS H H 29 7.927 7.927 7.713 0.214 18831 564 1 2 . 1 1 30 30 ILE N N 30 121.068 121.068 121.232 -0.164 18831 565 1 2 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.647 -0.067 18831 566 1 2 . 1 1 30 30 ILE C C 30 180.286 180.286 177.085 3.201 18831 567 1 2 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.087 0.290 18831 568 1 2 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.814 -1.374 18831 569 1 2 . 1 1 30 30 ILE H H 30 8.614 8.614 8.321 0.293 18831 570 1 2 . 1 1 31 31 GLN N N 31 126.930 126.930 118.942 7.988 18831 571 1 2 . 1 1 31 31 GLN HA H 31 3.997 3.997 4.046 -0.049 18831 572 1 2 . 1 1 31 31 GLN C C 31 178.844 178.844 177.107 1.737 18831 573 1 2 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.491 0.695 18831 574 1 2 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.224 -1.124 18831 575 1 2 . 1 1 31 31 GLN H H 31 8.756 8.756 8.241 0.515 18831 576 1 2 . 1 1 32 32 ASP N N 32 120.549 120.549 118.439 2.110 18831 577 1 2 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.644 -0.230 18831 578 1 2 . 1 1 32 32 ASP C C 32 177.501 177.501 177.490 0.011 18831 579 1 2 . 1 1 32 32 ASP CA C 32 57.031 57.031 55.915 1.116 18831 580 1 2 . 1 1 32 32 ASP CB C 32 40.370 40.370 41.043 -0.673 18831 581 1 2 . 1 1 32 32 ASP H H 32 8.033 8.033 7.702 0.331 18831 582 1 2 . 1 1 33 33 LYS N N 33 113.834 113.834 119.282 -5.448 18831 583 1 2 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.260 0.073 18831 584 1 2 . 1 1 33 33 LYS C C 33 178.038 178.038 178.326 -0.288 18831 585 1 2 . 1 1 33 33 LYS CA C 33 56.860 56.860 58.427 -1.567 18831 586 1 2 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.294 0.066 18831 587 1 2 . 1 1 33 33 LYS H H 33 7.386 7.386 7.825 -0.439 18831 588 1 2 . 1 1 34 34 THR N N 34 106.465 106.465 108.598 -2.133 18831 589 1 2 . 1 1 34 34 THR HA H 34 4.718 4.718 4.281 0.437 18831 590 1 2 . 1 1 34 34 THR C C 34 175.819 175.819 176.269 -0.450 18831 591 1 2 . 1 1 34 34 THR CA C 34 62.179 62.179 62.669 -0.490 18831 592 1 2 . 1 1 34 34 THR CB C 34 72.477 72.477 70.488 1.989 18831 593 1 2 . 1 1 34 34 THR H H 34 8.263 8.263 8.216 0.047 18831 594 1 2 . 1 1 35 35 GLY N N 35 112.744 112.744 111.048 1.696 18831 595 1 2 . 1 1 35 35 GLY C C 35 174.166 174.166 174.195 -0.029 18831 596 1 2 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.666 -1.060 18831 597 1 2 . 1 1 35 35 GLY H H 35 8.810 8.810 7.709 1.101 18831 598 1 2 . 1 1 36 36 LEU N N 36 125.200 125.200 122.489 2.711 18831 599 1 2 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.437 0.098 18831 600 1 2 . 1 1 36 36 LEU CA C 36 52.084 52.084 52.055 0.029 18831 601 1 2 . 1 1 36 36 LEU CB C 36 42.445 42.445 41.557 0.888 18831 602 1 2 . 1 1 36 36 LEU H H 36 7.614 7.614 7.742 -0.128 18831 603 1 2 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.744 -0.080 18831 604 1 2 . 1 1 37 37 PRO CA C 37 60.900 60.900 60.839 0.061 18831 605 1 2 . 1 1 37 37 PRO CB C 37 30.870 30.870 30.955 -0.085 18831 606 1 2 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.137 0.013 18831 607 1 2 . 1 1 38 38 PRO C C 38 178.123 178.123 177.505 0.618 18831 608 1 2 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.480 0.121 18831 609 1 2 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.747 0.654 18831 610 1 2 . 1 1 39 39 ASP N N 39 113.380 113.380 113.652 -0.272 18831 611 1 2 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.443 0.034 18831 612 1 2 . 1 1 39 39 ASP C C 39 176.823 176.823 177.310 -0.487 18831 613 1 2 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.832 -0.782 18831 614 1 2 . 1 1 39 39 ASP CB C 39 39.150 39.150 39.924 -0.774 18831 615 1 2 . 1 1 39 39 ASP H H 39 8.518 8.518 8.712 -0.194 18831 616 1 2 . 1 1 40 40 GLN N N 40 116.933 116.933 118.852 -1.919 18831 617 1 2 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.398 0.147 18831 618 1 2 . 1 1 40 40 GLN C C 40 174.900 174.900 177.094 -2.194 18831 619 1 2 . 1 1 40 40 GLN CA C 40 54.940 54.940 56.814 -1.874 18831 620 1 2 . 1 1 40 40 GLN CB C 40 29.160 29.160 29.919 -0.760 18831 621 1 2 . 1 1 40 40 GLN H H 40 7.864 7.864 7.704 0.160 18831 622 1 2 . 1 1 41 41 GLN N N 41 118.389 118.389 119.145 -0.756 18831 623 1 2 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.105 0.276 18831 624 1 2 . 1 1 41 41 GLN C C 41 175.848 175.848 175.874 -0.026 18831 625 1 2 . 1 1 41 41 GLN CA C 41 55.276 55.276 57.260 -1.984 18831 626 1 2 . 1 1 41 41 GLN CB C 41 30.840 30.840 29.113 1.727 18831 627 1 2 . 1 1 41 41 GLN H H 41 7.446 7.446 7.605 -0.159 18831 628 1 2 . 1 1 42 42 ARG N N 42 123.499 123.499 121.071 2.428 18831 629 1 2 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.566 -0.005 18831 630 1 2 . 1 1 42 42 ARG C C 42 173.812 173.812 173.810 0.002 18831 631 1 2 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.746 -0.813 18831 632 1 2 . 1 1 42 42 ARG CB C 42 30.807 30.807 33.053 -2.246 18831 633 1 2 . 1 1 42 42 ARG H H 42 8.408 8.408 8.565 -0.157 18831 634 1 2 . 1 1 43 43 LEU N N 43 124.567 124.567 125.537 -0.970 18831 635 1 2 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.010 0.351 18831 636 1 2 . 1 1 43 43 LEU C C 43 175.353 175.353 175.471 -0.118 18831 637 1 2 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.532 -0.959 18831 638 1 2 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.948 -0.234 18831 639 1 2 . 1 1 43 43 LEU H H 43 8.859 8.859 8.755 0.104 18831 640 1 2 . 1 1 44 44 ILE N N 44 122.662 122.662 121.701 0.961 18831 641 1 2 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.829 0.171 18831 642 1 2 . 1 1 44 44 ILE C C 44 175.579 175.579 174.584 0.995 18831 643 1 2 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.570 -2.260 18831 644 1 2 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.708 -1.179 18831 645 1 2 . 1 1 44 44 ILE H H 44 9.206 9.206 8.238 0.968 18831 646 1 2 . 1 1 45 45 PHE N N 45 124.709 124.709 128.058 -3.349 18831 647 1 2 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.866 0.372 18831 648 1 2 . 1 1 45 45 PHE C C 45 174.561 174.561 175.075 -0.514 18831 649 1 2 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.505 0.344 18831 650 1 2 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.948 -0.058 18831 651 1 2 . 1 1 45 45 PHE H H 45 8.828 8.828 8.792 0.036 18831 652 1 2 . 1 1 46 46 ALA N N 46 132.860 132.860 128.176 4.684 18831 653 1 2 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.528 0.223 18831 654 1 2 . 1 1 46 46 ALA C C 46 177.247 177.247 177.009 0.238 18831 655 1 2 . 1 1 46 46 ALA CA C 46 51.858 51.858 52.949 -1.091 18831 656 1 2 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.563 -0.678 18831 657 1 2 . 1 1 46 46 ALA H H 46 9.010 9.010 8.742 0.268 18831 658 1 2 . 1 1 47 47 GLY N N 47 102.630 102.630 103.166 -0.536 18831 659 1 2 . 1 1 47 47 GLY C C 47 173.643 173.643 175.063 -1.420 18831 660 1 2 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.146 -0.443 18831 661 1 2 . 1 1 47 47 GLY H H 47 8.089 8.089 8.422 -0.333 18831 662 1 2 . 1 1 48 48 LYS N N 48 122.237 122.237 122.603 -0.366 18831 663 1 2 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.279 0.388 18831 664 1 2 . 1 1 48 48 LYS C C 48 174.519 174.519 175.725 -1.206 18831 665 1 2 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.402 -2.401 18831 666 1 2 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.084 0.466 18831 667 1 2 . 1 1 48 48 LYS H H 48 8.028 8.028 8.123 -0.095 18831 668 1 2 . 1 1 49 49 GLN N N 49 123.092 123.092 124.315 -1.223 18831 669 1 2 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.363 0.134 18831 670 1 2 . 1 1 49 49 GLN C C 49 175.635 175.635 175.705 -0.070 18831 671 1 2 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.833 -0.443 18831 672 1 2 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.710 -1.303 18831 673 1 2 . 1 1 49 49 GLN H H 49 8.643 8.643 8.604 0.039 18831 674 1 2 . 1 1 50 50 LEU N N 50 125.507 125.507 127.922 -2.415 18831 675 1 2 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.005 0.148 18831 676 1 2 . 1 1 50 50 LEU C C 50 176.611 176.611 176.480 0.131 18831 677 1 2 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.822 -1.251 18831 678 1 2 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.052 -1.249 18831 679 1 2 . 1 1 50 50 LEU H H 50 8.544 8.544 7.889 0.655 18831 680 1 2 . 1 1 51 51 GLU N N 51 123.223 123.223 122.616 0.607 18831 681 1 2 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.588 0.021 18831 682 1 2 . 1 1 51 51 GLU C C 51 175.226 175.226 175.116 0.110 18831 683 1 2 . 1 1 51 51 GLU CA C 51 55.480 55.480 55.030 0.450 18831 684 1 2 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.579 -2.279 18831 685 1 2 . 1 1 51 51 GLU H H 51 8.410 8.410 9.173 -0.763 18831 686 1 2 . 1 1 52 52 ASP N N 52 120.438 120.438 123.169 -2.731 18831 687 1 2 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.468 -0.035 18831 688 1 2 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.709 0.283 18831 689 1 2 . 1 1 52 52 ASP CB C 52 40.080 40.080 40.100 -0.020 18831 690 1 2 . 1 1 52 52 ASP H H 52 8.202 8.202 8.655 -0.453 18831 691 1 2 . 1 1 53 53 GLY C C 53 174.703 174.703 173.729 0.974 18831 692 1 2 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.067 -0.258 18831 693 1 2 . 1 1 54 54 ARG N N 54 119.424 119.424 121.589 -2.165 18831 694 1 2 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.895 -0.099 18831 695 1 2 . 1 1 54 54 ARG C C 54 175.226 175.226 175.209 0.017 18831 696 1 2 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.608 -1.041 18831 697 1 2 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.324 -1.364 18831 698 1 2 . 1 1 54 54 ARG H H 54 7.485 7.485 7.705 -0.220 18831 699 1 2 . 1 1 55 55 THR N N 55 109.146 109.146 112.957 -3.811 18831 700 1 2 . 1 1 55 55 THR HA H 55 5.330 5.330 4.573 0.757 18831 701 1 2 . 1 1 55 55 THR C C 55 176.484 176.484 175.859 0.625 18831 702 1 2 . 1 1 55 55 THR CA C 55 59.151 59.151 60.237 -1.086 18831 703 1 2 . 1 1 55 55 THR CB C 55 71.868 71.868 70.198 1.670 18831 704 1 2 . 1 1 55 55 THR H H 55 8.915 8.915 8.224 0.691 18831 705 1 2 . 1 1 56 56 LEU N N 56 117.771 117.771 119.779 -2.008 18831 706 1 2 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.234 -0.110 18831 707 1 2 . 1 1 56 56 LEU C C 56 180.611 180.611 178.632 1.979 18831 708 1 2 . 1 1 56 56 LEU CA C 56 57.975 57.975 57.756 0.219 18831 709 1 2 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.329 -1.553 18831 710 1 2 . 1 1 56 56 LEU H H 56 8.192 8.192 8.343 -0.151 18831 711 1 2 . 1 1 57 57 SER N N 57 113.230 113.230 111.840 1.390 18831 712 1 2 . 1 1 57 57 SER HA H 57 4.323 4.323 4.148 0.175 18831 713 1 2 . 1 1 57 57 SER C C 57 178.166 178.166 175.573 2.593 18831 714 1 2 . 1 1 57 57 SER CA C 57 60.523 60.523 60.486 0.037 18831 715 1 2 . 1 1 57 57 SER CB C 57 61.940 61.940 62.862 -0.922 18831 716 1 2 . 1 1 57 57 SER H H 57 8.423 8.423 8.548 -0.125 18831 717 1 2 . 1 1 58 58 ASP N N 58 124.565 124.565 121.583 2.982 18831 718 1 2 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.476 -0.134 18831 719 1 2 . 1 1 58 58 ASP C C 58 177.303 177.303 177.271 0.032 18831 720 1 2 . 1 1 58 58 ASP CA C 58 56.860 56.860 55.795 1.065 18831 721 1 2 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.858 -1.071 18831 722 1 2 . 1 1 58 58 ASP H H 58 7.945 7.945 7.456 0.489 18831 723 1 2 . 1 1 59 59 TYR N N 59 115.843 115.843 116.758 -0.915 18831 724 1 2 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.414 0.282 18831 725 1 2 . 1 1 59 59 TYR C C 59 174.590 174.590 175.805 -1.215 18831 726 1 2 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.529 -0.784 18831 727 1 2 . 1 1 59 59 TYR CB C 59 39.430 39.430 37.923 1.507 18831 728 1 2 . 1 1 59 59 TYR H H 59 7.311 7.311 7.319 -0.008 18831 729 1 2 . 1 1 60 60 ASN N N 60 115.827 115.827 113.622 2.205 18831 730 1 2 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.328 0.079 18831 731 1 2 . 1 1 60 60 ASN C C 60 174.165 174.165 174.498 -0.333 18831 732 1 2 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.546 -0.963 18831 733 1 2 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.727 -0.001 18831 734 1 2 . 1 1 60 60 ASN H H 60 8.161 8.161 7.709 0.452 18831 735 1 2 . 1 1 61 61 ILE N N 61 118.960 118.960 119.856 -0.896 18831 736 1 2 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.436 -0.033 18831 737 1 2 . 1 1 61 61 ILE C C 61 174.378 174.378 175.368 -0.990 18831 738 1 2 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.639 -0.713 18831 739 1 2 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.338 -1.079 18831 740 1 2 . 1 1 61 61 ILE H H 61 7.211 7.211 7.807 -0.596 18831 741 1 2 . 1 1 62 62 GLN N N 62 124.901 124.901 126.094 -1.193 18831 742 1 2 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.603 -0.015 18831 743 1 2 . 1 1 62 62 GLN C C 62 175.611 175.611 175.607 0.004 18831 744 1 2 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.995 -0.885 18831 745 1 2 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.690 0.403 18831 746 1 2 . 1 1 62 62 GLN H H 62 7.665 7.665 7.930 -0.265 18831 747 1 2 . 1 1 63 63 LYS N N 63 120.318 120.318 119.553 0.765 18831 748 1 2 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.164 -0.130 18831 749 1 2 . 1 1 63 63 LYS C C 63 175.880 175.880 176.728 -0.848 18831 750 1 2 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.216 1.244 18831 751 1 2 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.195 -1.335 18831 752 1 2 . 1 1 63 63 LYS H H 63 8.473 8.473 8.153 0.320 18831 753 1 2 . 1 1 64 64 GLU N N 64 114.842 114.842 118.955 -4.113 18831 754 1 2 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.564 0.862 18831 755 1 2 . 1 1 64 64 GLU C C 64 175.202 175.202 175.778 -0.576 18831 756 1 2 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.874 0.940 18831 757 1 2 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.989 -2.538 18831 758 1 2 . 1 1 64 64 GLU H H 64 9.299 9.299 7.983 1.316 18831 759 1 2 . 1 1 65 65 SER N N 65 115.119 115.119 114.378 0.741 18831 760 1 2 . 1 1 65 65 SER HA H 65 4.712 4.712 4.495 0.217 18831 761 1 2 . 1 1 65 65 SER C C 65 171.974 171.974 174.569 -2.595 18831 762 1 2 . 1 1 65 65 SER CA C 65 60.390 60.390 59.401 0.989 18831 763 1 2 . 1 1 65 65 SER CB C 65 64.259 64.259 63.328 0.931 18831 764 1 2 . 1 1 65 65 SER H H 65 7.778 7.778 7.367 0.411 18831 765 1 2 . 1 1 66 66 THR N N 66 117.698 117.698 123.154 -5.456 18831 766 1 2 . 1 1 66 66 THR HA H 66 5.342 5.342 4.766 0.576 18831 767 1 2 . 1 1 66 66 THR C C 66 173.567 173.567 174.777 -1.210 18831 768 1 2 . 1 1 66 66 THR CA C 66 61.850 61.850 62.912 -1.062 18831 769 1 2 . 1 1 66 66 THR CB C 66 69.772 69.772 69.260 0.512 18831 770 1 2 . 1 1 66 66 THR H H 66 8.764 8.764 8.606 0.158 18831 771 1 2 . 1 1 67 67 LEU N N 67 127.655 127.655 126.951 0.704 18831 772 1 2 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.585 0.557 18831 773 1 2 . 1 1 67 67 LEU C C 67 175.119 175.119 176.775 -1.656 18831 774 1 2 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.490 -0.271 18831 775 1 2 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.149 0.650 18831 776 1 2 . 1 1 67 67 LEU H H 67 9.400 9.400 7.812 1.588 18831 777 1 2 . 1 1 68 68 HIS N N 68 120.510 120.510 115.571 4.939 18831 778 1 2 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.895 0.528 18831 779 1 2 . 1 1 68 68 HIS C C 68 174.246 174.246 174.716 -0.470 18831 780 1 2 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.301 -0.219 18831 781 1 2 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.581 0.729 18831 782 1 2 . 1 1 68 68 HIS H H 68 9.128 9.128 8.357 0.771 18831 783 1 2 . 1 1 69 69 ILE N N 69 120.349 120.349 127.669 -7.320 18831 784 1 2 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.575 0.598 18831 785 1 2 . 1 1 69 69 ILE C C 69 174.800 174.800 175.342 -0.542 18831 786 1 2 . 1 1 69 69 ILE CA C 69 58.474 58.474 60.864 -2.390 18831 787 1 2 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.229 1.863 18831 788 1 2 . 1 1 69 69 ILE H H 69 8.369 8.369 8.007 0.362 18831 789 1 2 . 1 1 70 70 VAL N N 70 126.551 126.551 128.322 -1.771 18831 790 1 2 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.250 0.117 18831 791 1 2 . 1 1 70 70 VAL C C 70 174.467 174.467 174.755 -0.288 18831 792 1 2 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.807 -1.508 18831 793 1 2 . 1 1 70 70 VAL CB C 70 33.550 33.550 32.417 1.133 18831 794 1 2 . 1 1 70 70 VAL H H 70 8.944 8.944 8.278 0.666 18831 795 1 2 . 1 1 71 71 TRP N N 71 125.438 125.438 130.968 -5.530 18831 796 1 2 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.906 0.202 18831 797 1 2 . 1 1 71 71 TRP C C 71 175.797 175.797 174.596 1.201 18831 798 1 2 . 1 1 71 71 TRP CA C 71 55.745 55.745 57.030 -1.285 18831 799 1 2 . 1 1 71 71 TRP CB C 71 30.099 30.099 31.498 -1.399 18831 800 1 2 . 1 1 71 71 TRP H H 71 8.425 8.425 8.496 -0.071 18831 801 1 2 . 1 1 72 72 ARG N N 72 125.700 125.700 128.480 -2.780 18831 802 1 2 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.049 0.234 18831 803 1 2 . 1 1 72 72 ARG C C 72 174.661 174.661 174.416 0.245 18831 804 1 2 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.390 -0.333 18831 805 1 2 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.739 -1.179 18831 806 1 2 . 1 1 72 72 ARG H H 72 8.261 8.261 8.330 -0.069 18831 807 1 2 . 1 1 73 73 LEU N N 73 123.370 123.370 125.747 -2.377 18831 808 1 2 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.486 -0.266 18831 809 1 2 . 1 1 73 73 LEU C C 73 177.072 177.072 177.787 -0.715 18831 810 1 2 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.416 0.214 18831 811 1 2 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.508 -0.866 18831 812 1 2 . 1 1 73 73 LEU H H 73 7.901 7.901 8.141 -0.240 18831 813 1 2 . 1 1 74 74 ARG N N 74 121.200 121.200 120.877 0.323 18831 814 1 2 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.201 0.086 18831 815 1 2 . 1 1 74 74 ARG C C 74 176.609 176.609 176.481 0.128 18831 816 1 2 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.778 -1.008 18831 817 1 2 . 1 1 74 74 ARG CB C 74 29.900 29.900 30.679 -0.779 18831 818 1 2 . 1 1 74 74 ARG H H 74 8.211 8.211 8.729 -0.518 18831 819 1 2 . 1 1 75 75 GLY N N 75 110.833 110.833 105.932 4.901 18831 820 1 2 . 1 1 75 75 GLY C C 75 173.520 173.520 172.962 0.558 18831 821 1 2 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.444 0.137 18831 822 1 2 . 1 1 75 75 GLY H H 75 8.434 8.434 7.752 0.682 18831 823 1 3 . 1 1 2 2 GLN N N 2 121.114 121.114 121.663 -0.549 18831 824 1 3 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.160 0.204 18831 825 1 3 . 1 1 2 2 GLN C C 2 175.892 175.892 175.735 0.157 18831 826 1 3 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.776 -0.948 18831 827 1 3 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.000 -1.052 18831 828 1 3 . 1 1 2 2 GLN H H 2 8.384 8.384 8.167 0.217 18831 829 1 3 . 1 1 3 3 ILE N N 3 114.990 114.990 112.681 2.309 18831 830 1 3 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.239 0.071 18831 831 1 3 . 1 1 3 3 ILE C C 3 172.645 172.645 173.951 -1.306 18831 832 1 3 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.731 -0.956 18831 833 1 3 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.533 -0.169 18831 834 1 3 . 1 1 3 3 ILE H H 3 8.392 8.392 8.094 0.298 18831 835 1 3 . 1 1 4 4 PHE N N 4 118.863 118.863 121.823 -2.960 18831 836 1 3 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.253 0.295 18831 837 1 3 . 1 1 4 4 PHE C C 4 175.076 175.076 176.177 -1.101 18831 838 1 3 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.188 0.872 18831 839 1 3 . 1 1 4 4 PHE CB C 4 40.410 40.410 38.568 1.842 18831 840 1 3 . 1 1 4 4 PHE H H 4 8.731 8.731 7.869 0.863 18831 841 1 3 . 1 1 5 5 VAL N N 5 119.550 119.550 116.732 2.818 18831 842 1 3 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.517 0.538 18831 843 1 3 . 1 1 5 5 VAL C C 5 174.974 174.974 175.368 -0.394 18831 844 1 3 . 1 1 5 5 VAL CA C 5 59.904 59.904 60.384 -0.480 18831 845 1 3 . 1 1 5 5 VAL CB C 5 33.375 33.375 33.205 0.171 18831 846 1 3 . 1 1 5 5 VAL H H 5 9.155 9.155 8.624 0.531 18831 847 1 3 . 1 1 6 6 LYS N N 6 129.015 129.015 126.905 2.110 18831 848 1 3 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.343 0.634 18831 849 1 3 . 1 1 6 6 LYS C C 6 176.045 176.045 176.576 -0.531 18831 850 1 3 . 1 1 6 6 LYS CA C 6 54.697 54.697 56.197 -1.500 18831 851 1 3 . 1 1 6 6 LYS CB C 6 34.391 34.391 32.412 1.979 18831 852 1 3 . 1 1 6 6 LYS H H 6 9.078 9.078 8.322 0.756 18831 853 1 3 . 1 1 7 7 GLY N N 7 111.500 111.500 113.267 -1.767 18831 854 1 3 . 1 1 7 7 GLY C C 7 175.552 175.552 174.860 0.692 18831 855 1 3 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.966 -0.042 18831 856 1 3 . 1 1 7 7 GLY H H 7 8.649 8.649 8.103 0.546 18831 857 1 3 . 1 1 8 8 LEU N N 8 120.313 120.313 120.773 -0.460 18831 858 1 3 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.140 0.163 18831 859 1 3 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.177 -0.679 18831 860 1 3 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.963 -0.184 18831 861 1 3 . 1 1 8 8 LEU H H 8 8.562 8.562 8.487 0.075 18831 862 1 3 . 1 1 9 9 THR HA H 9 4.564 4.564 4.200 0.364 18831 863 1 3 . 1 1 9 9 THR C C 9 175.093 175.093 175.349 -0.256 18831 864 1 3 . 1 1 9 9 THR CA C 9 60.451 60.451 64.018 -3.567 18831 865 1 3 . 1 1 9 9 THR CB C 9 69.020 69.020 69.202 -0.182 18831 866 1 3 . 1 1 10 10 GLY N N 10 109.154 109.154 108.126 1.028 18831 867 1 3 . 1 1 10 10 GLY C C 10 174.039 174.039 173.682 0.357 18831 868 1 3 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.684 0.152 18831 869 1 3 . 1 1 10 10 GLY H H 10 8.123 8.123 7.866 0.257 18831 870 1 3 . 1 1 11 11 LYS N N 11 120.968 120.968 123.074 -2.106 18831 871 1 3 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.447 0.353 18831 872 1 3 . 1 1 11 11 LYS CA C 11 55.640 55.640 55.974 -0.334 18831 873 1 3 . 1 1 11 11 LYS CB C 11 32.390 32.390 33.036 -0.646 18831 874 1 3 . 1 1 11 11 LYS H H 11 8.021 8.021 8.043 -0.022 18831 875 1 3 . 1 1 12 12 THR HA H 12 5.006 5.006 4.867 0.139 18831 876 1 3 . 1 1 12 12 THR C C 12 174.362 174.362 175.359 -0.997 18831 877 1 3 . 1 1 12 12 THR CA C 12 61.969 61.969 61.894 0.075 18831 878 1 3 . 1 1 12 12 THR CB C 12 61.769 61.769 69.858 -8.089 18831 879 1 3 . 1 1 13 13 THR N N 13 124.317 124.317 118.259 6.058 18831 880 1 3 . 1 1 13 13 THR HA H 13 4.721 4.721 4.672 0.049 18831 881 1 3 . 1 1 13 13 THR C C 13 173.104 173.104 173.776 -0.672 18831 882 1 3 . 1 1 13 13 THR CA C 13 61.786 61.786 61.493 0.293 18831 883 1 3 . 1 1 13 13 THR CB C 13 70.179 70.179 71.930 -1.751 18831 884 1 3 . 1 1 13 13 THR H H 13 9.028 9.028 8.292 0.736 18831 885 1 3 . 1 1 14 14 THR N N 14 122.168 122.168 119.514 2.654 18831 886 1 3 . 1 1 14 14 THR HA H 14 5.055 5.055 5.070 -0.015 18831 887 1 3 . 1 1 14 14 THR C C 14 173.274 173.274 173.716 -0.442 18831 888 1 3 . 1 1 14 14 THR CA C 14 61.284 61.284 61.891 -0.607 18831 889 1 3 . 1 1 14 14 THR CB C 14 69.510 69.510 69.614 -0.104 18831 890 1 3 . 1 1 14 14 THR H H 14 8.731 8.731 8.572 0.159 18831 891 1 3 . 1 1 15 15 LEU N N 15 125.117 125.117 124.675 0.442 18831 892 1 3 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.740 0.032 18831 893 1 3 . 1 1 15 15 LEU C C 15 174.702 174.702 175.365 -0.663 18831 894 1 3 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.738 -1.287 18831 895 1 3 . 1 1 15 15 LEU CB C 15 46.271 46.271 46.247 0.024 18831 896 1 3 . 1 1 15 15 LEU H H 15 8.912 8.912 8.492 0.420 18831 897 1 3 . 1 1 16 16 GLU N N 16 122.278 122.278 122.840 -0.562 18831 898 1 3 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.637 0.357 18831 899 1 3 . 1 1 16 16 GLU C C 16 175.926 175.926 175.528 0.398 18831 900 1 3 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.051 -0.991 18831 901 1 3 . 1 1 16 16 GLU CB C 16 28.484 28.484 30.191 -1.707 18831 902 1 3 . 1 1 16 16 GLU H H 16 8.224 8.224 8.613 -0.389 18831 903 1 3 . 1 1 17 17 VAL N N 17 116.959 116.959 120.582 -3.623 18831 904 1 3 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.465 0.311 18831 905 1 3 . 1 1 17 17 VAL C C 17 173.767 173.767 174.138 -0.371 18831 906 1 3 . 1 1 17 17 VAL CA C 17 58.205 58.205 60.263 -2.058 18831 907 1 3 . 1 1 17 17 VAL CB C 17 35.869 35.869 35.049 0.820 18831 908 1 3 . 1 1 17 17 VAL H H 17 8.881 8.881 7.692 1.189 18831 909 1 3 . 1 1 18 18 GLU N N 18 118.016 118.016 119.994 -1.978 18831 910 1 3 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.765 0.297 18831 911 1 3 . 1 1 18 18 GLU CA C 18 52.483 52.483 53.178 -0.695 18831 912 1 3 . 1 1 18 18 GLU CB C 18 30.593 30.593 31.669 -1.076 18831 913 1 3 . 1 1 18 18 GLU H H 18 8.492 8.492 8.300 0.192 18831 914 1 3 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.100 0.082 18831 915 1 3 . 1 1 19 19 PRO C C 19 175.297 175.297 178.008 -2.711 18831 916 1 3 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.980 -1.090 18831 917 1 3 . 1 1 19 19 PRO CB C 19 31.116 31.116 32.086 -0.970 18831 918 1 3 . 1 1 20 20 SER N N 20 103.828 103.828 109.284 -5.456 18831 919 1 3 . 1 1 20 20 SER HA H 20 4.437 4.437 4.206 0.231 18831 920 1 3 . 1 1 20 20 SER C C 20 174.447 174.447 174.936 -0.489 18831 921 1 3 . 1 1 20 20 SER CA C 20 56.743 56.743 59.917 -3.174 18831 922 1 3 . 1 1 20 20 SER CB C 20 62.880 62.880 62.694 0.186 18831 923 1 3 . 1 1 20 20 SER H H 20 7.103 7.103 8.011 -0.908 18831 924 1 3 . 1 1 21 21 ASP N N 21 123.913 123.913 123.738 0.175 18831 925 1 3 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.571 0.167 18831 926 1 3 . 1 1 21 21 ASP C C 21 176.402 176.402 175.796 0.606 18831 927 1 3 . 1 1 21 21 ASP CA C 21 55.390 55.390 55.050 0.340 18831 928 1 3 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.741 -1.371 18831 929 1 3 . 1 1 21 21 ASP H H 21 8.045 8.045 7.874 0.171 18831 930 1 3 . 1 1 22 22 THR N N 22 109.500 109.500 113.842 -4.342 18831 931 1 3 . 1 1 22 22 THR HA H 22 4.938 4.938 4.384 0.554 18831 932 1 3 . 1 1 22 22 THR C C 22 176.555 176.555 175.770 0.785 18831 933 1 3 . 1 1 22 22 THR CA C 22 59.079 59.079 61.347 -2.268 18831 934 1 3 . 1 1 22 22 THR CB C 22 70.433 70.433 71.005 -0.572 18831 935 1 3 . 1 1 22 22 THR H H 22 7.967 7.967 7.783 0.184 18831 936 1 3 . 1 1 23 23 ILE N N 23 121.579 121.579 122.629 -1.050 18831 937 1 3 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.712 -0.020 18831 938 1 3 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.971 -1.152 18831 939 1 3 . 1 1 23 23 ILE CB C 23 33.920 33.920 37.287 -3.367 18831 940 1 3 . 1 1 23 23 ILE H H 23 8.628 8.628 8.094 0.534 18831 941 1 3 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.897 0.057 18831 942 1 3 . 1 1 24 24 GLU C C 24 179.002 179.002 178.742 0.260 18831 943 1 3 . 1 1 24 24 GLU CA C 24 60.330 60.330 59.809 0.521 18831 944 1 3 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.137 -1.197 18831 945 1 3 . 1 1 25 25 ASN N N 25 121.468 121.468 117.977 3.491 18831 946 1 3 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.525 0.095 18831 947 1 3 . 1 1 25 25 ASN C C 25 178.322 178.322 177.491 0.831 18831 948 1 3 . 1 1 25 25 ASN CA C 25 55.244 55.244 56.021 -0.777 18831 949 1 3 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.431 -0.671 18831 950 1 3 . 1 1 25 25 ASN H H 25 7.953 7.953 7.479 0.474 18831 951 1 3 . 1 1 26 26 VAL N N 26 122.536 122.536 120.884 1.652 18831 952 1 3 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.440 0.044 18831 953 1 3 . 1 1 26 26 VAL C C 26 177.812 177.812 178.022 -0.210 18831 954 1 3 . 1 1 26 26 VAL CA C 26 67.046 67.046 67.524 -0.478 18831 955 1 3 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.552 -1.252 18831 956 1 3 . 1 1 26 26 VAL H H 26 8.312 8.312 7.752 0.560 18831 957 1 3 . 1 1 27 27 LYS N N 27 119.303 119.303 119.367 -0.064 18831 958 1 3 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.887 0.700 18831 959 1 3 . 1 1 27 27 LYS C C 27 180.277 180.277 178.775 1.502 18831 960 1 3 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.816 -0.933 18831 961 1 3 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.048 1.055 18831 962 1 3 . 1 1 27 27 LYS H H 27 8.742 8.742 8.387 0.355 18831 963 1 3 . 1 1 28 28 ALA N N 28 123.505 123.505 122.129 1.376 18831 964 1 3 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.114 0.116 18831 965 1 3 . 1 1 28 28 ALA C C 28 180.215 180.215 178.980 1.235 18831 966 1 3 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.653 0.187 18831 967 1 3 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.410 -1.315 18831 968 1 3 . 1 1 28 28 ALA H H 28 7.877 7.877 7.516 0.361 18831 969 1 3 . 1 1 29 29 LYS N N 29 120.598 120.598 117.583 3.015 18831 970 1 3 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.065 0.185 18831 971 1 3 . 1 1 29 29 LYS C C 29 180.229 180.229 179.508 0.721 18831 972 1 3 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.628 0.514 18831 973 1 3 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.534 -0.014 18831 974 1 3 . 1 1 29 29 LYS H H 29 7.927 7.927 7.799 0.128 18831 975 1 3 . 1 1 30 30 ILE N N 30 121.068 121.068 121.402 -0.334 18831 976 1 3 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.645 -0.065 18831 977 1 3 . 1 1 30 30 ILE C C 30 180.286 180.286 177.237 3.049 18831 978 1 3 . 1 1 30 30 ILE CA C 30 65.377 65.377 64.984 0.393 18831 979 1 3 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.789 -1.349 18831 980 1 3 . 1 1 30 30 ILE H H 30 8.614 8.614 8.466 0.147 18831 981 1 3 . 1 1 31 31 GLN N N 31 126.930 126.930 118.940 7.990 18831 982 1 3 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.845 0.152 18831 983 1 3 . 1 1 31 31 GLN C C 31 178.844 178.844 177.274 1.570 18831 984 1 3 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.326 0.860 18831 985 1 3 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.229 -1.129 18831 986 1 3 . 1 1 31 31 GLN H H 31 8.756 8.756 8.257 0.499 18831 987 1 3 . 1 1 32 32 ASP N N 32 120.549 120.549 118.509 2.040 18831 988 1 3 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.562 -0.148 18831 989 1 3 . 1 1 32 32 ASP C C 32 177.501 177.501 177.814 -0.313 18831 990 1 3 . 1 1 32 32 ASP CA C 32 57.031 57.031 55.723 1.308 18831 991 1 3 . 1 1 32 32 ASP CB C 32 40.370 40.370 41.122 -0.752 18831 992 1 3 . 1 1 32 32 ASP H H 32 8.033 8.033 7.653 0.380 18831 993 1 3 . 1 1 33 33 LYS N N 33 113.834 113.834 117.899 -4.065 18831 994 1 3 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.286 0.047 18831 995 1 3 . 1 1 33 33 LYS C C 33 178.038 178.038 177.675 0.363 18831 996 1 3 . 1 1 33 33 LYS CA C 33 56.860 56.860 57.563 -0.703 18831 997 1 3 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.340 0.020 18831 998 1 3 . 1 1 33 33 LYS H H 33 7.386 7.386 8.168 -0.782 18831 999 1 3 . 1 1 34 34 THR N N 34 106.465 106.465 108.867 -2.402 18831 1000 1 3 . 1 1 34 34 THR HA H 34 4.718 4.718 4.363 0.355 18831 1001 1 3 . 1 1 34 34 THR C C 34 175.819 175.819 175.238 0.581 18831 1002 1 3 . 1 1 34 34 THR CA C 34 62.179 62.179 62.009 0.170 18831 1003 1 3 . 1 1 34 34 THR CB C 34 72.477 72.477 69.854 2.623 18831 1004 1 3 . 1 1 34 34 THR H H 34 8.263 8.263 7.922 0.341 18831 1005 1 3 . 1 1 35 35 GLY N N 35 112.744 112.744 113.502 -0.758 18831 1006 1 3 . 1 1 35 35 GLY C C 35 174.166 174.166 173.333 0.833 18831 1007 1 3 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.775 -1.169 18831 1008 1 3 . 1 1 35 35 GLY H H 35 8.810 8.810 7.703 1.107 18831 1009 1 3 . 1 1 36 36 LEU N N 36 125.200 125.200 119.568 5.632 18831 1010 1 3 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.814 -0.279 18831 1011 1 3 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.095 0.989 18831 1012 1 3 . 1 1 36 36 LEU CB C 36 42.445 42.445 42.631 -0.186 18831 1013 1 3 . 1 1 36 36 LEU H H 36 7.614 7.614 7.681 -0.067 18831 1014 1 3 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.612 0.052 18831 1015 1 3 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.836 -0.936 18831 1016 1 3 . 1 1 37 37 PRO CB C 37 30.870 30.870 30.961 -0.091 18831 1017 1 3 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.543 -0.393 18831 1018 1 3 . 1 1 38 38 PRO C C 38 178.123 178.123 177.674 0.449 18831 1019 1 3 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.065 0.536 18831 1020 1 3 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.575 0.825 18831 1021 1 3 . 1 1 39 39 ASP N N 39 113.380 113.380 116.065 -2.685 18831 1022 1 3 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.440 0.037 18831 1023 1 3 . 1 1 39 39 ASP C C 39 176.823 176.823 176.221 0.602 18831 1024 1 3 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.381 -0.331 18831 1025 1 3 . 1 1 39 39 ASP CB C 39 39.150 39.150 38.889 0.261 18831 1026 1 3 . 1 1 39 39 ASP H H 39 8.518 8.518 8.784 -0.266 18831 1027 1 3 . 1 1 40 40 GLN N N 40 116.933 116.933 116.565 0.368 18831 1028 1 3 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.468 0.077 18831 1029 1 3 . 1 1 40 40 GLN C C 40 174.900 174.900 175.226 -0.326 18831 1030 1 3 . 1 1 40 40 GLN CA C 40 54.940 54.940 54.670 0.270 18831 1031 1 3 . 1 1 40 40 GLN CB C 40 29.160 29.160 29.737 -0.577 18831 1032 1 3 . 1 1 40 40 GLN H H 40 7.864 7.864 7.433 0.431 18831 1033 1 3 . 1 1 41 41 GLN N N 41 118.389 118.389 120.602 -2.213 18831 1034 1 3 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.265 0.116 18831 1035 1 3 . 1 1 41 41 GLN C C 41 175.848 175.848 174.905 0.943 18831 1036 1 3 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.783 -0.507 18831 1037 1 3 . 1 1 41 41 GLN CB C 41 30.840 30.840 29.556 1.284 18831 1038 1 3 . 1 1 41 41 GLN H H 41 7.446 7.446 7.440 0.006 18831 1039 1 3 . 1 1 42 42 ARG N N 42 123.499 123.499 125.441 -1.942 18831 1040 1 3 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.581 -0.020 18831 1041 1 3 . 1 1 42 42 ARG C C 42 173.812 173.812 173.878 -0.066 18831 1042 1 3 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.722 -0.789 18831 1043 1 3 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.676 -1.869 18831 1044 1 3 . 1 1 42 42 ARG H H 42 8.408 8.408 8.550 -0.142 18831 1045 1 3 . 1 1 43 43 LEU N N 43 124.567 124.567 125.732 -1.165 18831 1046 1 3 . 1 1 43 43 LEU HA H 43 5.361 5.361 4.957 0.404 18831 1047 1 3 . 1 1 43 43 LEU C C 43 175.353 175.353 175.452 -0.099 18831 1048 1 3 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.448 -0.875 18831 1049 1 3 . 1 1 43 43 LEU CB C 43 44.714 44.714 45.143 -0.429 18831 1050 1 3 . 1 1 43 43 LEU H H 43 8.859 8.859 8.605 0.254 18831 1051 1 3 . 1 1 44 44 ILE N N 44 122.662 122.662 121.450 1.212 18831 1052 1 3 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.851 0.149 18831 1053 1 3 . 1 1 44 44 ILE C C 44 175.579 175.579 174.324 1.255 18831 1054 1 3 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.472 -2.163 18831 1055 1 3 . 1 1 44 44 ILE CB C 44 40.528 40.528 42.119 -1.591 18831 1056 1 3 . 1 1 44 44 ILE H H 44 9.206 9.206 8.349 0.857 18831 1057 1 3 . 1 1 45 45 PHE N N 45 124.709 124.709 127.130 -2.421 18831 1058 1 3 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.916 0.322 18831 1059 1 3 . 1 1 45 45 PHE C C 45 174.561 174.561 174.932 -0.371 18831 1060 1 3 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.600 0.249 18831 1061 1 3 . 1 1 45 45 PHE CB C 45 42.890 42.890 43.125 -0.235 18831 1062 1 3 . 1 1 45 45 PHE H H 45 8.828 8.828 8.995 -0.167 18831 1063 1 3 . 1 1 46 46 ALA N N 46 132.860 132.860 128.612 4.248 18831 1064 1 3 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.528 0.223 18831 1065 1 3 . 1 1 46 46 ALA C C 46 177.247 177.247 176.917 0.330 18831 1066 1 3 . 1 1 46 46 ALA CA C 46 51.858 51.858 53.044 -1.187 18831 1067 1 3 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.705 -0.820 18831 1068 1 3 . 1 1 46 46 ALA H H 46 9.010 9.010 8.835 0.175 18831 1069 1 3 . 1 1 47 47 GLY N N 47 102.630 102.630 102.842 -0.212 18831 1070 1 3 . 1 1 47 47 GLY C C 47 173.643 173.643 174.908 -1.265 18831 1071 1 3 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.001 -0.298 18831 1072 1 3 . 1 1 47 47 GLY H H 47 8.089 8.089 8.392 -0.303 18831 1073 1 3 . 1 1 48 48 LYS N N 48 122.237 122.237 122.728 -0.491 18831 1074 1 3 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.368 0.299 18831 1075 1 3 . 1 1 48 48 LYS C C 48 174.519 174.519 175.623 -1.104 18831 1076 1 3 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.078 -2.077 18831 1077 1 3 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.265 0.285 18831 1078 1 3 . 1 1 48 48 LYS H H 48 8.028 8.028 8.176 -0.148 18831 1079 1 3 . 1 1 49 49 GLN N N 49 123.092 123.092 124.239 -1.147 18831 1080 1 3 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.367 0.130 18831 1081 1 3 . 1 1 49 49 GLN C C 49 175.635 175.635 175.570 0.065 18831 1082 1 3 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.631 -0.241 18831 1083 1 3 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.578 -1.171 18831 1084 1 3 . 1 1 49 49 GLN H H 49 8.643 8.643 8.578 0.065 18831 1085 1 3 . 1 1 50 50 LEU N N 50 125.507 125.507 128.157 -2.650 18831 1086 1 3 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.050 0.103 18831 1087 1 3 . 1 1 50 50 LEU C C 50 176.611 176.611 176.106 0.505 18831 1088 1 3 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.881 -1.310 18831 1089 1 3 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.324 -1.521 18831 1090 1 3 . 1 1 50 50 LEU H H 50 8.544 8.544 7.932 0.612 18831 1091 1 3 . 1 1 51 51 GLU N N 51 123.223 123.223 120.471 2.752 18831 1092 1 3 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.543 0.066 18831 1093 1 3 . 1 1 51 51 GLU C C 51 175.226 175.226 174.951 0.275 18831 1094 1 3 . 1 1 51 51 GLU CA C 51 55.480 55.480 54.971 0.509 18831 1095 1 3 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.619 -2.319 18831 1096 1 3 . 1 1 51 51 GLU H H 51 8.410 8.410 9.331 -0.921 18831 1097 1 3 . 1 1 52 52 ASP N N 52 120.438 120.438 120.507 -0.069 18831 1098 1 3 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.519 -0.086 18831 1099 1 3 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.475 0.517 18831 1100 1 3 . 1 1 52 52 ASP CB C 52 40.080 40.080 40.952 -0.872 18831 1101 1 3 . 1 1 52 52 ASP H H 52 8.202 8.202 8.652 -0.450 18831 1102 1 3 . 1 1 53 53 GLY C C 53 174.703 174.703 174.031 0.672 18831 1103 1 3 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.066 -0.257 18831 1104 1 3 . 1 1 54 54 ARG N N 54 119.424 119.424 120.489 -1.065 18831 1105 1 3 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.914 -0.118 18831 1106 1 3 . 1 1 54 54 ARG C C 54 175.226 175.226 175.313 -0.087 18831 1107 1 3 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.580 -1.013 18831 1108 1 3 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.506 -1.546 18831 1109 1 3 . 1 1 54 54 ARG H H 54 7.485 7.485 7.647 -0.162 18831 1110 1 3 . 1 1 55 55 THR N N 55 109.146 109.146 113.923 -4.777 18831 1111 1 3 . 1 1 55 55 THR HA H 55 5.330 5.330 4.655 0.675 18831 1112 1 3 . 1 1 55 55 THR C C 55 176.484 176.484 175.693 0.791 18831 1113 1 3 . 1 1 55 55 THR CA C 55 59.151 59.151 60.107 -0.956 18831 1114 1 3 . 1 1 55 55 THR CB C 55 71.868 71.868 70.231 1.637 18831 1115 1 3 . 1 1 55 55 THR H H 55 8.915 8.915 8.292 0.623 18831 1116 1 3 . 1 1 56 56 LEU N N 56 117.771 117.771 119.970 -2.199 18831 1117 1 3 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.197 -0.073 18831 1118 1 3 . 1 1 56 56 LEU C C 56 180.611 180.611 178.702 1.909 18831 1119 1 3 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.212 -0.237 18831 1120 1 3 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.378 -1.602 18831 1121 1 3 . 1 1 56 56 LEU H H 56 8.192 8.192 8.766 -0.574 18831 1122 1 3 . 1 1 57 57 SER N N 57 113.230 113.230 112.850 0.380 18831 1123 1 3 . 1 1 57 57 SER HA H 57 4.323 4.323 4.168 0.155 18831 1124 1 3 . 1 1 57 57 SER C C 57 178.166 178.166 175.308 2.858 18831 1125 1 3 . 1 1 57 57 SER CA C 57 60.523 60.523 60.708 -0.185 18831 1126 1 3 . 1 1 57 57 SER CB C 57 61.940 61.940 62.908 -0.968 18831 1127 1 3 . 1 1 57 57 SER H H 57 8.423 8.423 8.319 0.104 18831 1128 1 3 . 1 1 58 58 ASP N N 58 124.565 124.565 121.541 3.024 18831 1129 1 3 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.449 -0.107 18831 1130 1 3 . 1 1 58 58 ASP C C 58 177.303 177.303 177.029 0.274 18831 1131 1 3 . 1 1 58 58 ASP CA C 58 56.860 56.860 55.676 1.184 18831 1132 1 3 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.790 -1.003 18831 1133 1 3 . 1 1 58 58 ASP H H 58 7.945 7.945 7.558 0.387 18831 1134 1 3 . 1 1 59 59 TYR N N 59 115.843 115.843 117.047 -1.204 18831 1135 1 3 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.476 0.220 18831 1136 1 3 . 1 1 59 59 TYR C C 59 174.590 174.590 175.416 -0.826 18831 1137 1 3 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.852 -1.107 18831 1138 1 3 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.343 1.087 18831 1139 1 3 . 1 1 59 59 TYR H H 59 7.311 7.311 7.169 0.142 18831 1140 1 3 . 1 1 60 60 ASN N N 60 115.827 115.827 113.280 2.547 18831 1141 1 3 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.309 0.098 18831 1142 1 3 . 1 1 60 60 ASN C C 60 174.165 174.165 174.596 -0.431 18831 1143 1 3 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.499 -0.916 18831 1144 1 3 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.522 0.204 18831 1145 1 3 . 1 1 60 60 ASN H H 60 8.161 8.161 7.710 0.451 18831 1146 1 3 . 1 1 61 61 ILE N N 61 118.960 118.960 120.242 -1.282 18831 1147 1 3 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.500 -0.097 18831 1148 1 3 . 1 1 61 61 ILE C C 61 174.378 174.378 175.337 -0.959 18831 1149 1 3 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.663 -0.737 18831 1150 1 3 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.456 -1.197 18831 1151 1 3 . 1 1 61 61 ILE H H 61 7.211 7.211 7.706 -0.495 18831 1152 1 3 . 1 1 62 62 GLN N N 62 124.901 124.901 126.149 -1.248 18831 1153 1 3 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.552 0.036 18831 1154 1 3 . 1 1 62 62 GLN C C 62 175.611 175.611 175.206 0.405 18831 1155 1 3 . 1 1 62 62 GLN CA C 62 53.110 53.110 54.019 -0.909 18831 1156 1 3 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.842 0.251 18831 1157 1 3 . 1 1 62 62 GLN H H 62 7.665 7.665 7.834 -0.169 18831 1158 1 3 . 1 1 63 63 LYS N N 63 120.318 120.318 119.694 0.624 18831 1159 1 3 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.272 -0.238 18831 1160 1 3 . 1 1 63 63 LYS C C 63 175.880 175.880 176.640 -0.760 18831 1161 1 3 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.095 1.365 18831 1162 1 3 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.130 -1.270 18831 1163 1 3 . 1 1 63 63 LYS H H 63 8.473 8.473 8.170 0.303 18831 1164 1 3 . 1 1 64 64 GLU N N 64 114.842 114.842 120.030 -5.188 18831 1165 1 3 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.553 0.873 18831 1166 1 3 . 1 1 64 64 GLU C C 64 175.202 175.202 175.496 -0.294 18831 1167 1 3 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.698 1.116 18831 1168 1 3 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.767 -2.316 18831 1169 1 3 . 1 1 64 64 GLU H H 64 9.299 9.299 8.091 1.208 18831 1170 1 3 . 1 1 65 65 SER N N 65 115.119 115.119 113.995 1.124 18831 1171 1 3 . 1 1 65 65 SER HA H 65 4.712 4.712 4.619 0.093 18831 1172 1 3 . 1 1 65 65 SER C C 65 171.974 171.974 174.556 -2.582 18831 1173 1 3 . 1 1 65 65 SER CA C 65 60.390 60.390 58.752 1.638 18831 1174 1 3 . 1 1 65 65 SER CB C 65 64.259 64.259 63.766 0.493 18831 1175 1 3 . 1 1 65 65 SER H H 65 7.778 7.778 7.612 0.166 18831 1176 1 3 . 1 1 66 66 THR N N 66 117.698 117.698 122.950 -5.252 18831 1177 1 3 . 1 1 66 66 THR HA H 66 5.342 5.342 4.793 0.549 18831 1178 1 3 . 1 1 66 66 THR C C 66 173.567 173.567 174.655 -1.088 18831 1179 1 3 . 1 1 66 66 THR CA C 66 61.850 61.850 62.811 -0.961 18831 1180 1 3 . 1 1 66 66 THR CB C 66 69.772 69.772 69.270 0.502 18831 1181 1 3 . 1 1 66 66 THR H H 66 8.764 8.764 8.706 0.058 18831 1182 1 3 . 1 1 67 67 LEU N N 67 127.655 127.655 126.941 0.714 18831 1183 1 3 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.637 0.505 18831 1184 1 3 . 1 1 67 67 LEU C C 67 175.119 175.119 176.865 -1.746 18831 1185 1 3 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.234 -0.014 18831 1186 1 3 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.217 0.582 18831 1187 1 3 . 1 1 67 67 LEU H H 67 9.400 9.400 7.848 1.552 18831 1188 1 3 . 1 1 68 68 HIS N N 68 120.510 120.510 115.433 5.077 18831 1189 1 3 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.844 0.579 18831 1190 1 3 . 1 1 68 68 HIS C C 68 174.246 174.246 174.385 -0.139 18831 1191 1 3 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.252 -0.170 18831 1192 1 3 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.071 1.239 18831 1193 1 3 . 1 1 68 68 HIS H H 68 9.128 9.128 8.314 0.814 18831 1194 1 3 . 1 1 69 69 ILE N N 69 120.349 120.349 126.339 -5.990 18831 1195 1 3 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.251 0.922 18831 1196 1 3 . 1 1 69 69 ILE C C 69 174.800 174.800 174.995 -0.195 18831 1197 1 3 . 1 1 69 69 ILE CA C 69 58.474 58.474 61.496 -3.022 18831 1198 1 3 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.338 1.754 18831 1199 1 3 . 1 1 69 69 ILE H H 69 8.369 8.369 7.957 0.412 18831 1200 1 3 . 1 1 70 70 VAL N N 70 126.551 126.551 127.747 -1.196 18831 1201 1 3 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.365 0.002 18831 1202 1 3 . 1 1 70 70 VAL C C 70 174.467 174.467 174.644 -0.177 18831 1203 1 3 . 1 1 70 70 VAL CA C 70 60.299 60.299 60.354 -0.055 18831 1204 1 3 . 1 1 70 70 VAL CB C 70 33.550 33.550 33.399 0.151 18831 1205 1 3 . 1 1 70 70 VAL H H 70 8.944 8.944 8.087 0.857 18831 1206 1 3 . 1 1 71 71 TRP N N 71 125.438 125.438 126.961 -1.523 18831 1207 1 3 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.937 0.171 18831 1208 1 3 . 1 1 71 71 TRP C C 71 175.797 175.797 176.303 -0.506 18831 1209 1 3 . 1 1 71 71 TRP CA C 71 55.745 55.745 55.440 0.305 18831 1210 1 3 . 1 1 71 71 TRP CB C 71 30.099 30.099 31.471 -1.372 18831 1211 1 3 . 1 1 71 71 TRP H H 71 8.425 8.425 8.395 0.030 18831 1212 1 3 . 1 1 72 72 ARG N N 72 125.700 125.700 126.148 -0.448 18831 1213 1 3 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.222 0.061 18831 1214 1 3 . 1 1 72 72 ARG C C 72 174.661 174.661 176.172 -1.511 18831 1215 1 3 . 1 1 72 72 ARG CA C 72 55.057 55.057 58.008 -2.950 18831 1216 1 3 . 1 1 72 72 ARG CB C 72 30.560 30.560 30.131 0.429 18831 1217 1 3 . 1 1 72 72 ARG H H 72 8.261 8.261 8.886 -0.625 18831 1218 1 3 . 1 1 73 73 LEU N N 73 123.370 123.370 116.831 6.539 18831 1219 1 3 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.344 -0.124 18831 1220 1 3 . 1 1 73 73 LEU C C 73 177.072 177.072 176.096 0.976 18831 1221 1 3 . 1 1 73 73 LEU CA C 73 54.630 54.630 55.201 -0.571 18831 1222 1 3 . 1 1 73 73 LEU CB C 73 41.642 41.642 41.737 -0.095 18831 1223 1 3 . 1 1 73 73 LEU H H 73 7.901 7.901 7.642 0.259 18831 1224 1 3 . 1 1 74 74 ARG N N 74 121.200 121.200 122.853 -1.653 18831 1225 1 3 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.562 -0.275 18831 1226 1 3 . 1 1 74 74 ARG C C 74 176.609 176.609 175.613 0.996 18831 1227 1 3 . 1 1 74 74 ARG CA C 74 55.770 55.770 55.079 0.691 18831 1228 1 3 . 1 1 74 74 ARG CB C 74 29.900 29.900 31.117 -1.217 18831 1229 1 3 . 1 1 74 74 ARG H H 74 8.211 8.211 8.404 -0.193 18831 1230 1 3 . 1 1 75 75 GLY N N 75 110.833 110.833 109.697 1.136 18831 1231 1 3 . 1 1 75 75 GLY C C 75 173.520 173.520 175.467 -1.947 18831 1232 1 3 . 1 1 75 75 GLY CA C 75 44.581 44.581 45.450 -0.869 18831 1233 1 3 . 1 1 75 75 GLY H H 75 8.434 8.434 9.184 -0.750 18831 1234 1 4 . 1 1 2 2 GLN N N 2 121.114 121.114 122.771 -1.657 18831 1235 1 4 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.354 0.010 18831 1236 1 4 . 1 1 2 2 GLN C C 2 175.892 175.892 175.637 0.255 18831 1237 1 4 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.414 -0.586 18831 1238 1 4 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.546 -1.598 18831 1239 1 4 . 1 1 2 2 GLN H H 2 8.384 8.384 8.212 0.172 18831 1240 1 4 . 1 1 3 3 ILE N N 3 114.990 114.990 112.826 2.164 18831 1241 1 4 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.289 0.021 18831 1242 1 4 . 1 1 3 3 ILE C C 3 172.645 172.645 174.090 -1.445 18831 1243 1 4 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.817 -1.042 18831 1244 1 4 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.492 -0.128 18831 1245 1 4 . 1 1 3 3 ILE H H 3 8.392 8.392 7.987 0.405 18831 1246 1 4 . 1 1 4 4 PHE N N 4 118.863 118.863 122.305 -3.442 18831 1247 1 4 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.184 0.364 18831 1248 1 4 . 1 1 4 4 PHE C C 4 175.076 175.076 176.101 -1.025 18831 1249 1 4 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.073 0.987 18831 1250 1 4 . 1 1 4 4 PHE CB C 4 40.410 40.410 39.102 1.308 18831 1251 1 4 . 1 1 4 4 PHE H H 4 8.731 8.731 7.841 0.890 18831 1252 1 4 . 1 1 5 5 VAL N N 5 119.550 119.550 119.827 -0.277 18831 1253 1 4 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.323 0.732 18831 1254 1 4 . 1 1 5 5 VAL C C 5 174.974 174.974 175.039 -0.065 18831 1255 1 4 . 1 1 5 5 VAL CA C 5 59.904 59.904 61.104 -1.200 18831 1256 1 4 . 1 1 5 5 VAL CB C 5 33.375 33.375 31.805 1.570 18831 1257 1 4 . 1 1 5 5 VAL H H 5 9.155 9.155 8.448 0.707 18831 1258 1 4 . 1 1 6 6 LYS N N 6 129.015 129.015 127.978 1.037 18831 1259 1 4 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.552 0.425 18831 1260 1 4 . 1 1 6 6 LYS C C 6 176.045 176.045 176.716 -0.671 18831 1261 1 4 . 1 1 6 6 LYS CA C 6 54.697 54.697 55.482 -0.785 18831 1262 1 4 . 1 1 6 6 LYS CB C 6 34.391 34.391 33.561 0.830 18831 1263 1 4 . 1 1 6 6 LYS H H 6 9.078 9.078 7.956 1.122 18831 1264 1 4 . 1 1 7 7 GLY N N 7 111.500 111.500 112.988 -1.488 18831 1265 1 4 . 1 1 7 7 GLY C C 7 175.552 175.552 175.342 0.210 18831 1266 1 4 . 1 1 7 7 GLY CA C 7 43.924 43.924 44.079 -0.155 18831 1267 1 4 . 1 1 7 7 GLY H H 7 8.649 8.649 8.261 0.388 18831 1268 1 4 . 1 1 8 8 LEU N N 8 120.313 120.313 118.620 1.693 18831 1269 1 4 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.230 0.073 18831 1270 1 4 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.294 -0.796 18831 1271 1 4 . 1 1 8 8 LEU CB C 8 41.779 41.779 42.189 -0.410 18831 1272 1 4 . 1 1 8 8 LEU H H 8 8.562 8.562 8.482 0.080 18831 1273 1 4 . 1 1 9 9 THR HA H 9 4.564 4.564 4.364 0.200 18831 1274 1 4 . 1 1 9 9 THR C C 9 175.093 175.093 175.250 -0.157 18831 1275 1 4 . 1 1 9 9 THR CA C 9 60.451 60.451 61.763 -1.312 18831 1276 1 4 . 1 1 9 9 THR CB C 9 69.020 69.020 69.850 -0.830 18831 1277 1 4 . 1 1 10 10 GLY N N 10 109.154 109.154 110.739 -1.585 18831 1278 1 4 . 1 1 10 10 GLY C C 10 174.039 174.039 174.085 -0.046 18831 1279 1 4 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.442 0.394 18831 1280 1 4 . 1 1 10 10 GLY H H 10 8.123 8.123 7.836 0.287 18831 1281 1 4 . 1 1 11 11 LYS N N 11 120.968 120.968 119.568 1.400 18831 1282 1 4 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.313 0.487 18831 1283 1 4 . 1 1 11 11 LYS CA C 11 55.640 55.640 56.130 -0.490 18831 1284 1 4 . 1 1 11 11 LYS CB C 11 32.390 32.390 33.188 -0.798 18831 1285 1 4 . 1 1 11 11 LYS H H 11 8.021 8.021 8.231 -0.210 18831 1286 1 4 . 1 1 12 12 THR HA H 12 5.006 5.006 4.940 0.066 18831 1287 1 4 . 1 1 12 12 THR C C 12 174.362 174.362 175.347 -0.985 18831 1288 1 4 . 1 1 12 12 THR CA C 12 61.969 61.969 61.623 0.346 18831 1289 1 4 . 1 1 12 12 THR CB C 12 61.769 61.769 69.715 -7.946 18831 1290 1 4 . 1 1 13 13 THR N N 13 124.317 124.317 117.842 6.475 18831 1291 1 4 . 1 1 13 13 THR HA H 13 4.721 4.721 4.641 0.080 18831 1292 1 4 . 1 1 13 13 THR C C 13 173.104 173.104 173.491 -0.387 18831 1293 1 4 . 1 1 13 13 THR CA C 13 61.786 61.786 61.950 -0.164 18831 1294 1 4 . 1 1 13 13 THR CB C 13 70.179 70.179 72.436 -2.256 18831 1295 1 4 . 1 1 13 13 THR H H 13 9.028 9.028 8.220 0.808 18831 1296 1 4 . 1 1 14 14 THR N N 14 122.168 122.168 118.564 3.604 18831 1297 1 4 . 1 1 14 14 THR HA H 14 5.055 5.055 5.127 -0.072 18831 1298 1 4 . 1 1 14 14 THR C C 14 173.274 173.274 174.516 -1.242 18831 1299 1 4 . 1 1 14 14 THR CA C 14 61.284 61.284 61.489 -0.205 18831 1300 1 4 . 1 1 14 14 THR CB C 14 69.510 69.510 69.516 -0.006 18831 1301 1 4 . 1 1 14 14 THR H H 14 8.731 8.731 8.380 0.351 18831 1302 1 4 . 1 1 15 15 LEU N N 15 125.117 125.117 127.181 -2.064 18831 1303 1 4 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.668 0.104 18831 1304 1 4 . 1 1 15 15 LEU C C 15 174.702 174.702 175.713 -1.011 18831 1305 1 4 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.684 -1.234 18831 1306 1 4 . 1 1 15 15 LEU CB C 15 46.271 46.271 44.689 1.582 18831 1307 1 4 . 1 1 15 15 LEU H H 15 8.912 8.912 8.596 0.316 18831 1308 1 4 . 1 1 16 16 GLU N N 16 122.278 122.278 122.866 -0.588 18831 1309 1 4 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.632 0.362 18831 1310 1 4 . 1 1 16 16 GLU C C 16 175.926 175.926 175.804 0.122 18831 1311 1 4 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.154 -1.094 18831 1312 1 4 . 1 1 16 16 GLU CB C 16 28.484 28.484 29.919 -1.435 18831 1313 1 4 . 1 1 16 16 GLU H H 16 8.224 8.224 8.580 -0.356 18831 1314 1 4 . 1 1 17 17 VAL N N 17 116.959 116.959 121.681 -4.722 18831 1315 1 4 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.494 0.282 18831 1316 1 4 . 1 1 17 17 VAL C C 17 173.767 173.767 173.882 -0.115 18831 1317 1 4 . 1 1 17 17 VAL CA C 17 58.205 58.205 60.020 -1.815 18831 1318 1 4 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.697 1.172 18831 1319 1 4 . 1 1 17 17 VAL H H 17 8.881 8.881 7.717 1.164 18831 1320 1 4 . 1 1 18 18 GLU N N 18 118.016 118.016 119.634 -1.618 18831 1321 1 4 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.653 0.409 18831 1322 1 4 . 1 1 18 18 GLU CA C 18 52.483 52.483 53.821 -1.338 18831 1323 1 4 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.576 -1.983 18831 1324 1 4 . 1 1 18 18 GLU H H 18 8.492 8.492 8.506 -0.014 18831 1325 1 4 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.068 0.114 18831 1326 1 4 . 1 1 19 19 PRO C C 19 175.297 175.297 177.862 -2.565 18831 1327 1 4 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.993 -1.103 18831 1328 1 4 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.963 -0.848 18831 1329 1 4 . 1 1 20 20 SER N N 20 103.828 103.828 109.207 -5.379 18831 1330 1 4 . 1 1 20 20 SER HA H 20 4.437 4.437 4.194 0.243 18831 1331 1 4 . 1 1 20 20 SER C C 20 174.447 174.447 174.357 0.090 18831 1332 1 4 . 1 1 20 20 SER CA C 20 56.743 56.743 59.635 -2.892 18831 1333 1 4 . 1 1 20 20 SER CB C 20 62.880 62.880 62.722 0.158 18831 1334 1 4 . 1 1 20 20 SER H H 20 7.103 7.103 8.395 -1.292 18831 1335 1 4 . 1 1 21 21 ASP N N 21 123.913 123.913 124.779 -0.866 18831 1336 1 4 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.519 0.219 18831 1337 1 4 . 1 1 21 21 ASP C C 21 176.402 176.402 175.979 0.423 18831 1338 1 4 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.839 0.551 18831 1339 1 4 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.107 -0.737 18831 1340 1 4 . 1 1 21 21 ASP H H 21 8.045 8.045 7.758 0.287 18831 1341 1 4 . 1 1 22 22 THR N N 22 109.500 109.500 114.972 -5.472 18831 1342 1 4 . 1 1 22 22 THR HA H 22 4.938 4.938 4.380 0.558 18831 1343 1 4 . 1 1 22 22 THR C C 22 176.555 176.555 176.044 0.511 18831 1344 1 4 . 1 1 22 22 THR CA C 22 59.079 59.079 60.918 -1.839 18831 1345 1 4 . 1 1 22 22 THR CB C 22 70.433 70.433 70.652 -0.219 18831 1346 1 4 . 1 1 22 22 THR H H 22 7.967 7.967 7.600 0.367 18831 1347 1 4 . 1 1 23 23 ILE N N 23 121.579 121.579 120.807 0.772 18831 1348 1 4 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.771 -0.079 18831 1349 1 4 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.480 -0.661 18831 1350 1 4 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.036 -2.116 18831 1351 1 4 . 1 1 23 23 ILE H H 23 8.628 8.628 8.213 0.415 18831 1352 1 4 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.812 0.142 18831 1353 1 4 . 1 1 24 24 GLU C C 24 179.002 179.002 178.741 0.261 18831 1354 1 4 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.024 0.306 18831 1355 1 4 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.227 -1.286 18831 1356 1 4 . 1 1 25 25 ASN N N 25 121.468 121.468 117.426 4.042 18831 1357 1 4 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.515 0.105 18831 1358 1 4 . 1 1 25 25 ASN C C 25 178.322 178.322 177.750 0.572 18831 1359 1 4 . 1 1 25 25 ASN CA C 25 55.244 55.244 56.015 -0.771 18831 1360 1 4 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.376 -0.616 18831 1361 1 4 . 1 1 25 25 ASN H H 25 7.953 7.953 7.590 0.363 18831 1362 1 4 . 1 1 26 26 VAL N N 26 122.536 122.536 120.371 2.165 18831 1363 1 4 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.520 -0.036 18831 1364 1 4 . 1 1 26 26 VAL C C 26 177.812 177.812 178.178 -0.366 18831 1365 1 4 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.776 0.270 18831 1366 1 4 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.070 -0.770 18831 1367 1 4 . 1 1 26 26 VAL H H 26 8.312 8.312 7.456 0.856 18831 1368 1 4 . 1 1 27 27 LYS N N 27 119.303 119.303 119.390 -0.087 18831 1369 1 4 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.947 0.640 18831 1370 1 4 . 1 1 27 27 LYS C C 27 180.277 180.277 178.830 1.447 18831 1371 1 4 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.800 -0.917 18831 1372 1 4 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.079 1.024 18831 1373 1 4 . 1 1 27 27 LYS H H 27 8.742 8.742 8.327 0.415 18831 1374 1 4 . 1 1 28 28 ALA N N 28 123.505 123.505 121.388 2.117 18831 1375 1 4 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.140 0.090 18831 1376 1 4 . 1 1 28 28 ALA C C 28 180.215 180.215 178.717 1.498 18831 1377 1 4 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.554 0.286 18831 1378 1 4 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.477 -1.381 18831 1379 1 4 . 1 1 28 28 ALA H H 28 7.877 7.877 7.448 0.429 18831 1380 1 4 . 1 1 29 29 LYS N N 29 120.598 120.598 117.642 2.956 18831 1381 1 4 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.260 -0.010 18831 1382 1 4 . 1 1 29 29 LYS C C 29 180.229 180.229 179.083 1.146 18831 1383 1 4 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.249 0.893 18831 1384 1 4 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.743 -0.223 18831 1385 1 4 . 1 1 29 29 LYS H H 29 7.927 7.927 7.667 0.260 18831 1386 1 4 . 1 1 30 30 ILE N N 30 121.068 121.068 121.093 -0.025 18831 1387 1 4 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.687 -0.107 18831 1388 1 4 . 1 1 30 30 ILE C C 30 180.286 180.286 177.758 2.528 18831 1389 1 4 . 1 1 30 30 ILE CA C 30 65.377 65.377 64.937 0.440 18831 1390 1 4 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.836 -1.396 18831 1391 1 4 . 1 1 30 30 ILE H H 30 8.614 8.614 8.242 0.372 18831 1392 1 4 . 1 1 31 31 GLN N N 31 126.930 126.930 119.180 7.750 18831 1393 1 4 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.918 0.079 18831 1394 1 4 . 1 1 31 31 GLN C C 31 178.844 178.844 177.117 1.727 18831 1395 1 4 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.328 0.858 18831 1396 1 4 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.060 -0.960 18831 1397 1 4 . 1 1 31 31 GLN H H 31 8.756 8.756 8.166 0.590 18831 1398 1 4 . 1 1 32 32 ASP N N 32 120.549 120.549 119.789 0.760 18831 1399 1 4 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.556 -0.142 18831 1400 1 4 . 1 1 32 32 ASP C C 32 177.501 177.501 177.653 -0.152 18831 1401 1 4 . 1 1 32 32 ASP CA C 32 57.031 57.031 56.351 0.680 18831 1402 1 4 . 1 1 32 32 ASP CB C 32 40.370 40.370 40.940 -0.570 18831 1403 1 4 . 1 1 32 32 ASP H H 32 8.033 8.033 7.683 0.350 18831 1404 1 4 . 1 1 33 33 LYS N N 33 113.834 113.834 118.342 -4.508 18831 1405 1 4 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.445 -0.112 18831 1406 1 4 . 1 1 33 33 LYS C C 33 178.038 178.038 177.570 0.468 18831 1407 1 4 . 1 1 33 33 LYS CA C 33 56.860 56.860 56.785 0.075 18831 1408 1 4 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.447 -0.087 18831 1409 1 4 . 1 1 33 33 LYS H H 33 7.386 7.386 8.157 -0.771 18831 1410 1 4 . 1 1 34 34 THR N N 34 106.465 106.465 109.060 -2.595 18831 1411 1 4 . 1 1 34 34 THR HA H 34 4.718 4.718 4.364 0.354 18831 1412 1 4 . 1 1 34 34 THR C C 34 175.819 175.819 175.950 -0.131 18831 1413 1 4 . 1 1 34 34 THR CA C 34 62.179 62.179 62.478 -0.299 18831 1414 1 4 . 1 1 34 34 THR CB C 34 72.477 72.477 71.155 1.322 18831 1415 1 4 . 1 1 34 34 THR H H 34 8.263 8.263 8.083 0.180 18831 1416 1 4 . 1 1 35 35 GLY N N 35 112.744 112.744 111.276 1.468 18831 1417 1 4 . 1 1 35 35 GLY C C 35 174.166 174.166 174.170 -0.004 18831 1418 1 4 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.825 -1.219 18831 1419 1 4 . 1 1 35 35 GLY H H 35 8.810 8.810 7.992 0.818 18831 1420 1 4 . 1 1 36 36 LEU N N 36 125.200 125.200 121.450 3.750 18831 1421 1 4 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.329 0.206 18831 1422 1 4 . 1 1 36 36 LEU CA C 36 52.084 52.084 52.932 -0.848 18831 1423 1 4 . 1 1 36 36 LEU CB C 36 42.445 42.445 41.533 0.912 18831 1424 1 4 . 1 1 36 36 LEU H H 36 7.614 7.614 7.724 -0.110 18831 1425 1 4 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.749 -0.085 18831 1426 1 4 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.046 -0.146 18831 1427 1 4 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.183 -0.313 18831 1428 1 4 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.374 -0.224 18831 1429 1 4 . 1 1 38 38 PRO C C 38 178.123 178.123 176.651 1.472 18831 1430 1 4 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.184 0.417 18831 1431 1 4 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.835 0.565 18831 1432 1 4 . 1 1 39 39 ASP N N 39 113.380 113.380 113.180 0.200 18831 1433 1 4 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.476 0.001 18831 1434 1 4 . 1 1 39 39 ASP C C 39 176.823 176.823 177.086 -0.263 18831 1435 1 4 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.610 -0.560 18831 1436 1 4 . 1 1 39 39 ASP CB C 39 39.150 39.150 39.921 -0.771 18831 1437 1 4 . 1 1 39 39 ASP H H 39 8.518 8.518 8.583 -0.065 18831 1438 1 4 . 1 1 40 40 GLN N N 40 116.933 116.933 118.458 -1.525 18831 1439 1 4 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.428 0.117 18831 1440 1 4 . 1 1 40 40 GLN C C 40 174.900 174.900 176.337 -1.437 18831 1441 1 4 . 1 1 40 40 GLN CA C 40 54.940 54.940 56.189 -1.249 18831 1442 1 4 . 1 1 40 40 GLN CB C 40 29.160 29.160 30.498 -1.338 18831 1443 1 4 . 1 1 40 40 GLN H H 40 7.864 7.864 7.747 0.117 18831 1444 1 4 . 1 1 41 41 GLN N N 41 118.389 118.389 119.974 -1.585 18831 1445 1 4 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.015 0.366 18831 1446 1 4 . 1 1 41 41 GLN C C 41 175.848 175.848 175.300 0.548 18831 1447 1 4 . 1 1 41 41 GLN CA C 41 55.276 55.276 56.858 -1.582 18831 1448 1 4 . 1 1 41 41 GLN CB C 41 30.840 30.840 27.982 2.858 18831 1449 1 4 . 1 1 41 41 GLN H H 41 7.446 7.446 7.601 -0.155 18831 1450 1 4 . 1 1 42 42 ARG N N 42 123.499 123.499 125.060 -1.561 18831 1451 1 4 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.517 0.044 18831 1452 1 4 . 1 1 42 42 ARG C C 42 173.812 173.812 174.048 -0.236 18831 1453 1 4 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.425 -0.492 18831 1454 1 4 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.212 -1.405 18831 1455 1 4 . 1 1 42 42 ARG H H 42 8.408 8.408 8.521 -0.113 18831 1456 1 4 . 1 1 43 43 LEU N N 43 124.567 124.567 125.138 -0.571 18831 1457 1 4 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.093 0.268 18831 1458 1 4 . 1 1 43 43 LEU C C 43 175.353 175.353 175.605 -0.252 18831 1459 1 4 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.325 -0.752 18831 1460 1 4 . 1 1 43 43 LEU CB C 43 44.714 44.714 45.212 -0.498 18831 1461 1 4 . 1 1 43 43 LEU H H 43 8.859 8.859 8.624 0.235 18831 1462 1 4 . 1 1 44 44 ILE N N 44 122.662 122.662 122.124 0.538 18831 1463 1 4 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.805 0.195 18831 1464 1 4 . 1 1 44 44 ILE C C 44 175.579 175.579 174.217 1.362 18831 1465 1 4 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.462 -2.152 18831 1466 1 4 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.787 -1.259 18831 1467 1 4 . 1 1 44 44 ILE H H 44 9.206 9.206 8.082 1.124 18831 1468 1 4 . 1 1 45 45 PHE N N 45 124.709 124.709 127.456 -2.747 18831 1469 1 4 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.864 0.374 18831 1470 1 4 . 1 1 45 45 PHE C C 45 174.561 174.561 175.039 -0.478 18831 1471 1 4 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.586 0.263 18831 1472 1 4 . 1 1 45 45 PHE CB C 45 42.890 42.890 43.248 -0.358 18831 1473 1 4 . 1 1 45 45 PHE H H 45 8.828 8.828 8.871 -0.043 18831 1474 1 4 . 1 1 46 46 ALA N N 46 132.860 132.860 128.477 4.383 18831 1475 1 4 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.639 0.112 18831 1476 1 4 . 1 1 46 46 ALA C C 46 177.247 177.247 176.842 0.405 18831 1477 1 4 . 1 1 46 46 ALA CA C 46 51.858 51.858 53.222 -1.365 18831 1478 1 4 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.998 -1.113 18831 1479 1 4 . 1 1 46 46 ALA H H 46 9.010 9.010 8.642 0.368 18831 1480 1 4 . 1 1 47 47 GLY N N 47 102.630 102.630 103.701 -1.071 18831 1481 1 4 . 1 1 47 47 GLY C C 47 173.643 173.643 174.879 -1.236 18831 1482 1 4 . 1 1 47 47 GLY CA C 47 44.703 44.703 44.943 -0.240 18831 1483 1 4 . 1 1 47 47 GLY H H 47 8.089 8.089 8.470 -0.381 18831 1484 1 4 . 1 1 48 48 LYS N N 48 122.237 122.237 122.257 -0.020 18831 1485 1 4 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.286 0.381 18831 1486 1 4 . 1 1 48 48 LYS C C 48 174.519 174.519 175.775 -1.256 18831 1487 1 4 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.534 -2.533 18831 1488 1 4 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.161 0.389 18831 1489 1 4 . 1 1 48 48 LYS H H 48 8.028 8.028 7.990 0.038 18831 1490 1 4 . 1 1 49 49 GLN N N 49 123.092 123.092 122.921 0.171 18831 1491 1 4 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.637 -0.140 18831 1492 1 4 . 1 1 49 49 GLN C C 49 175.635 175.635 175.640 -0.005 18831 1493 1 4 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.450 -0.060 18831 1494 1 4 . 1 1 49 49 GLN CB C 49 28.407 28.407 30.002 -1.595 18831 1495 1 4 . 1 1 49 49 GLN H H 49 8.643 8.643 8.475 0.168 18831 1496 1 4 . 1 1 50 50 LEU N N 50 125.507 125.507 126.089 -0.582 18831 1497 1 4 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.004 0.149 18831 1498 1 4 . 1 1 50 50 LEU C C 50 176.611 176.611 176.225 0.386 18831 1499 1 4 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.516 -0.945 18831 1500 1 4 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.242 -1.439 18831 1501 1 4 . 1 1 50 50 LEU H H 50 8.544 8.544 7.986 0.558 18831 1502 1 4 . 1 1 51 51 GLU N N 51 123.223 123.223 121.466 1.757 18831 1503 1 4 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.489 0.120 18831 1504 1 4 . 1 1 51 51 GLU C C 51 175.226 175.226 174.708 0.518 18831 1505 1 4 . 1 1 51 51 GLU CA C 51 55.480 55.480 54.987 0.492 18831 1506 1 4 . 1 1 51 51 GLU CB C 51 31.300 31.300 34.238 -2.938 18831 1507 1 4 . 1 1 51 51 GLU H H 51 8.410 8.410 8.903 -0.493 18831 1508 1 4 . 1 1 52 52 ASP N N 52 120.438 120.438 122.886 -2.448 18831 1509 1 4 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.541 -0.108 18831 1510 1 4 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.960 0.032 18831 1511 1 4 . 1 1 52 52 ASP CB C 52 40.080 40.080 41.083 -1.003 18831 1512 1 4 . 1 1 52 52 ASP H H 52 8.202 8.202 8.534 -0.332 18831 1513 1 4 . 1 1 53 53 GLY C C 53 174.703 174.703 174.079 0.624 18831 1514 1 4 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.449 -0.640 18831 1515 1 4 . 1 1 54 54 ARG N N 54 119.424 119.424 118.983 0.441 18831 1516 1 4 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.720 0.076 18831 1517 1 4 . 1 1 54 54 ARG C C 54 175.226 175.226 175.115 0.111 18831 1518 1 4 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.423 -0.856 18831 1519 1 4 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.508 -1.548 18831 1520 1 4 . 1 1 54 54 ARG H H 54 7.485 7.485 7.708 -0.223 18831 1521 1 4 . 1 1 55 55 THR N N 55 109.146 109.146 111.610 -2.464 18831 1522 1 4 . 1 1 55 55 THR HA H 55 5.330 5.330 4.719 0.611 18831 1523 1 4 . 1 1 55 55 THR C C 55 176.484 176.484 175.943 0.541 18831 1524 1 4 . 1 1 55 55 THR CA C 55 59.151 59.151 60.004 -0.853 18831 1525 1 4 . 1 1 55 55 THR CB C 55 71.868 71.868 71.133 0.735 18831 1526 1 4 . 1 1 55 55 THR H H 55 8.915 8.915 8.177 0.738 18831 1527 1 4 . 1 1 56 56 LEU N N 56 117.771 117.771 120.717 -2.946 18831 1528 1 4 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.167 -0.043 18831 1529 1 4 . 1 1 56 56 LEU C C 56 180.611 180.611 178.571 2.040 18831 1530 1 4 . 1 1 56 56 LEU CA C 56 57.975 57.975 57.963 0.012 18831 1531 1 4 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.528 -1.752 18831 1532 1 4 . 1 1 56 56 LEU H H 56 8.192 8.192 8.475 -0.283 18831 1533 1 4 . 1 1 57 57 SER N N 57 113.230 113.230 111.792 1.438 18831 1534 1 4 . 1 1 57 57 SER HA H 57 4.323 4.323 4.166 0.157 18831 1535 1 4 . 1 1 57 57 SER C C 57 178.166 178.166 175.628 2.538 18831 1536 1 4 . 1 1 57 57 SER CA C 57 60.523 60.523 60.403 0.120 18831 1537 1 4 . 1 1 57 57 SER CB C 57 61.940 61.940 62.785 -0.845 18831 1538 1 4 . 1 1 57 57 SER H H 57 8.423 8.423 8.305 0.118 18831 1539 1 4 . 1 1 58 58 ASP N N 58 124.565 124.565 121.452 3.113 18831 1540 1 4 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.512 -0.170 18831 1541 1 4 . 1 1 58 58 ASP C C 58 177.303 177.303 177.205 0.098 18831 1542 1 4 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.100 0.760 18831 1543 1 4 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.781 -0.994 18831 1544 1 4 . 1 1 58 58 ASP H H 58 7.945 7.945 7.666 0.279 18831 1545 1 4 . 1 1 59 59 TYR N N 59 115.843 115.843 116.817 -0.974 18831 1546 1 4 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.435 0.261 18831 1547 1 4 . 1 1 59 59 TYR C C 59 174.590 174.590 175.617 -1.027 18831 1548 1 4 . 1 1 59 59 TYR CA C 59 57.745 57.745 59.086 -1.341 18831 1549 1 4 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.145 1.284 18831 1550 1 4 . 1 1 59 59 TYR H H 59 7.311 7.311 7.177 0.134 18831 1551 1 4 . 1 1 60 60 ASN N N 60 115.827 115.827 113.088 2.739 18831 1552 1 4 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.326 0.081 18831 1553 1 4 . 1 1 60 60 ASN C C 60 174.165 174.165 174.520 -0.355 18831 1554 1 4 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.443 -0.860 18831 1555 1 4 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.251 0.475 18831 1556 1 4 . 1 1 60 60 ASN H H 60 8.161 8.161 7.772 0.389 18831 1557 1 4 . 1 1 61 61 ILE N N 61 118.960 118.960 120.667 -1.707 18831 1558 1 4 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.427 -0.024 18831 1559 1 4 . 1 1 61 61 ILE C C 61 174.378 174.378 175.309 -0.931 18831 1560 1 4 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.629 -0.703 18831 1561 1 4 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.279 -1.020 18831 1562 1 4 . 1 1 61 61 ILE H H 61 7.211 7.211 7.677 -0.466 18831 1563 1 4 . 1 1 62 62 GLN N N 62 124.901 124.901 126.082 -1.181 18831 1564 1 4 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.557 0.031 18831 1565 1 4 . 1 1 62 62 GLN C C 62 175.611 175.611 175.562 0.049 18831 1566 1 4 . 1 1 62 62 GLN CA C 62 53.110 53.110 54.012 -0.902 18831 1567 1 4 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.700 0.393 18831 1568 1 4 . 1 1 62 62 GLN H H 62 7.665 7.665 8.113 -0.448 18831 1569 1 4 . 1 1 63 63 LYS N N 63 120.318 120.318 119.252 1.066 18831 1570 1 4 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.303 -0.269 18831 1571 1 4 . 1 1 63 63 LYS C C 63 175.880 175.880 176.834 -0.954 18831 1572 1 4 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.151 1.309 18831 1573 1 4 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.203 -1.343 18831 1574 1 4 . 1 1 63 63 LYS H H 63 8.473 8.473 8.184 0.289 18831 1575 1 4 . 1 1 64 64 GLU N N 64 114.842 114.842 117.446 -2.604 18831 1576 1 4 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.453 0.973 18831 1577 1 4 . 1 1 64 64 GLU C C 64 175.202 175.202 175.535 -0.333 18831 1578 1 4 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.862 0.952 18831 1579 1 4 . 1 1 64 64 GLU CB C 64 25.451 25.451 28.022 -2.571 18831 1580 1 4 . 1 1 64 64 GLU H H 64 9.299 9.299 7.973 1.326 18831 1581 1 4 . 1 1 65 65 SER N N 65 115.119 115.119 114.428 0.691 18831 1582 1 4 . 1 1 65 65 SER HA H 65 4.712 4.712 4.414 0.298 18831 1583 1 4 . 1 1 65 65 SER C C 65 171.974 171.974 174.546 -2.572 18831 1584 1 4 . 1 1 65 65 SER CA C 65 60.390 60.390 59.878 0.512 18831 1585 1 4 . 1 1 65 65 SER CB C 65 64.259 64.259 63.352 0.907 18831 1586 1 4 . 1 1 65 65 SER H H 65 7.778 7.778 7.283 0.495 18831 1587 1 4 . 1 1 66 66 THR N N 66 117.698 117.698 123.011 -5.313 18831 1588 1 4 . 1 1 66 66 THR HA H 66 5.342 5.342 4.740 0.602 18831 1589 1 4 . 1 1 66 66 THR C C 66 173.567 173.567 174.457 -0.890 18831 1590 1 4 . 1 1 66 66 THR CA C 66 61.850 61.850 62.913 -1.063 18831 1591 1 4 . 1 1 66 66 THR CB C 66 69.772 69.772 69.634 0.138 18831 1592 1 4 . 1 1 66 66 THR H H 66 8.764 8.764 8.497 0.267 18831 1593 1 4 . 1 1 67 67 LEU N N 67 127.655 127.655 126.448 1.207 18831 1594 1 4 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.655 0.487 18831 1595 1 4 . 1 1 67 67 LEU C C 67 175.119 175.119 176.415 -1.296 18831 1596 1 4 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.131 0.089 18831 1597 1 4 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.609 0.190 18831 1598 1 4 . 1 1 67 67 LEU H H 67 9.400 9.400 7.653 1.747 18831 1599 1 4 . 1 1 68 68 HIS N N 68 120.510 120.510 116.353 4.157 18831 1600 1 4 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.919 0.504 18831 1601 1 4 . 1 1 68 68 HIS C C 68 174.246 174.246 174.740 -0.494 18831 1602 1 4 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.025 0.057 18831 1603 1 4 . 1 1 68 68 HIS CB C 68 32.310 32.310 32.476 -0.166 18831 1604 1 4 . 1 1 68 68 HIS H H 68 9.128 9.128 8.068 1.060 18831 1605 1 4 . 1 1 69 69 ILE N N 69 120.349 120.349 125.993 -5.644 18831 1606 1 4 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.570 0.603 18831 1607 1 4 . 1 1 69 69 ILE C C 69 174.800 174.800 175.391 -0.591 18831 1608 1 4 . 1 1 69 69 ILE CA C 69 58.474 58.474 61.048 -2.574 18831 1609 1 4 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.333 1.759 18831 1610 1 4 . 1 1 69 69 ILE H H 69 8.369 8.369 8.301 0.068 18831 1611 1 4 . 1 1 70 70 VAL N N 70 126.551 126.551 128.139 -1.588 18831 1612 1 4 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.326 0.041 18831 1613 1 4 . 1 1 70 70 VAL C C 70 174.467 174.467 174.751 -0.284 18831 1614 1 4 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.440 -1.141 18831 1615 1 4 . 1 1 70 70 VAL CB C 70 33.550 33.550 32.308 1.242 18831 1616 1 4 . 1 1 70 70 VAL H H 70 8.944 8.944 8.203 0.741 18831 1617 1 4 . 1 1 71 71 TRP N N 71 125.438 125.438 129.841 -4.403 18831 1618 1 4 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.891 0.217 18831 1619 1 4 . 1 1 71 71 TRP C C 71 175.797 175.797 174.316 1.481 18831 1620 1 4 . 1 1 71 71 TRP CA C 71 55.745 55.745 57.507 -1.762 18831 1621 1 4 . 1 1 71 71 TRP CB C 71 30.099 30.099 30.899 -0.800 18831 1622 1 4 . 1 1 71 71 TRP H H 71 8.425 8.425 8.398 0.027 18831 1623 1 4 . 1 1 72 72 ARG N N 72 125.700 125.700 128.023 -2.323 18831 1624 1 4 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.021 0.262 18831 1625 1 4 . 1 1 72 72 ARG C C 72 174.661 174.661 174.367 0.294 18831 1626 1 4 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.392 -0.335 18831 1627 1 4 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.645 -1.085 18831 1628 1 4 . 1 1 72 72 ARG H H 72 8.261 8.261 8.195 0.066 18831 1629 1 4 . 1 1 73 73 LEU N N 73 123.370 123.370 124.954 -1.584 18831 1630 1 4 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.375 -0.155 18831 1631 1 4 . 1 1 73 73 LEU C C 73 177.072 177.072 176.875 0.197 18831 1632 1 4 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.161 0.469 18831 1633 1 4 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.492 -0.850 18831 1634 1 4 . 1 1 73 73 LEU H H 73 7.901 7.901 8.131 -0.230 18831 1635 1 4 . 1 1 74 74 ARG N N 74 121.200 121.200 121.192 0.008 18831 1636 1 4 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.335 -0.048 18831 1637 1 4 . 1 1 74 74 ARG C C 74 176.609 176.609 176.031 0.578 18831 1638 1 4 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.384 -0.614 18831 1639 1 4 . 1 1 74 74 ARG CB C 74 29.900 29.900 31.042 -1.142 18831 1640 1 4 . 1 1 74 74 ARG H H 74 8.211 8.211 8.496 -0.285 18831 1641 1 4 . 1 1 75 75 GLY N N 75 110.833 110.833 110.584 0.249 18831 1642 1 4 . 1 1 75 75 GLY C C 75 173.520 173.520 173.205 0.315 18831 1643 1 4 . 1 1 75 75 GLY CA C 75 44.581 44.581 45.571 -0.990 18831 1644 1 4 . 1 1 75 75 GLY H H 75 8.434 8.434 8.759 -0.325 18831 1645 1 5 . 1 1 2 2 GLN N N 2 121.114 121.114 121.379 -0.265 18831 1646 1 5 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.149 0.215 18831 1647 1 5 . 1 1 2 2 GLN C C 2 175.892 175.892 175.880 0.012 18831 1648 1 5 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.575 -0.747 18831 1649 1 5 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.437 -1.489 18831 1650 1 5 . 1 1 2 2 GLN H H 2 8.384 8.384 8.366 0.018 18831 1651 1 5 . 1 1 3 3 ILE N N 3 114.990 114.990 112.685 2.305 18831 1652 1 5 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.256 0.054 18831 1653 1 5 . 1 1 3 3 ILE C C 3 172.645 172.645 173.736 -1.091 18831 1654 1 5 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.976 -1.201 18831 1655 1 5 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.337 0.027 18831 1656 1 5 . 1 1 3 3 ILE H H 3 8.392 8.392 7.796 0.596 18831 1657 1 5 . 1 1 4 4 PHE N N 4 118.863 118.863 122.763 -3.900 18831 1658 1 5 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.058 0.490 18831 1659 1 5 . 1 1 4 4 PHE C C 4 175.076 175.076 176.106 -1.030 18831 1660 1 5 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.054 1.006 18831 1661 1 5 . 1 1 4 4 PHE CB C 4 40.410 40.410 38.394 2.017 18831 1662 1 5 . 1 1 4 4 PHE H H 4 8.731 8.731 7.871 0.860 18831 1663 1 5 . 1 1 5 5 VAL N N 5 119.550 119.550 119.595 -0.045 18831 1664 1 5 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.244 0.811 18831 1665 1 5 . 1 1 5 5 VAL C C 5 174.974 174.974 175.159 -0.185 18831 1666 1 5 . 1 1 5 5 VAL CA C 5 59.904 59.904 61.459 -1.555 18831 1667 1 5 . 1 1 5 5 VAL CB C 5 33.375 33.375 31.994 1.381 18831 1668 1 5 . 1 1 5 5 VAL H H 5 9.155 9.155 8.187 0.968 18831 1669 1 5 . 1 1 6 6 LYS N N 6 129.015 129.015 127.725 1.290 18831 1670 1 5 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.406 0.571 18831 1671 1 5 . 1 1 6 6 LYS C C 6 176.045 176.045 176.638 -0.593 18831 1672 1 5 . 1 1 6 6 LYS CA C 6 54.697 54.697 55.730 -1.033 18831 1673 1 5 . 1 1 6 6 LYS CB C 6 34.391 34.391 32.440 1.951 18831 1674 1 5 . 1 1 6 6 LYS H H 6 9.078 9.078 8.410 0.668 18831 1675 1 5 . 1 1 7 7 GLY N N 7 111.500 111.500 112.997 -1.497 18831 1676 1 5 . 1 1 7 7 GLY C C 7 175.552 175.552 175.029 0.523 18831 1677 1 5 . 1 1 7 7 GLY CA C 7 43.924 43.924 44.038 -0.114 18831 1678 1 5 . 1 1 7 7 GLY H H 7 8.649 8.649 7.970 0.679 18831 1679 1 5 . 1 1 8 8 LEU N N 8 120.313 120.313 120.142 0.171 18831 1680 1 5 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.179 0.124 18831 1681 1 5 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.441 -0.943 18831 1682 1 5 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.958 -0.179 18831 1683 1 5 . 1 1 8 8 LEU H H 8 8.562 8.562 8.552 0.010 18831 1684 1 5 . 1 1 9 9 THR HA H 9 4.564 4.564 4.222 0.342 18831 1685 1 5 . 1 1 9 9 THR C C 9 175.093 175.093 175.398 -0.305 18831 1686 1 5 . 1 1 9 9 THR CA C 9 60.451 60.451 63.677 -3.226 18831 1687 1 5 . 1 1 9 9 THR CB C 9 69.020 69.020 69.172 -0.152 18831 1688 1 5 . 1 1 10 10 GLY N N 10 109.154 109.154 107.852 1.302 18831 1689 1 5 . 1 1 10 10 GLY C C 10 174.039 174.039 173.844 0.195 18831 1690 1 5 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.580 0.256 18831 1691 1 5 . 1 1 10 10 GLY H H 10 8.123 8.123 7.877 0.246 18831 1692 1 5 . 1 1 11 11 LYS N N 11 120.968 120.968 124.061 -3.093 18831 1693 1 5 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.356 0.444 18831 1694 1 5 . 1 1 11 11 LYS CA C 11 55.640 55.640 56.256 -0.616 18831 1695 1 5 . 1 1 11 11 LYS CB C 11 32.390 32.390 32.727 -0.337 18831 1696 1 5 . 1 1 11 11 LYS H H 11 8.021 8.021 8.048 -0.027 18831 1697 1 5 . 1 1 12 12 THR HA H 12 5.006 5.006 5.149 -0.143 18831 1698 1 5 . 1 1 12 12 THR C C 12 174.362 174.362 174.949 -0.587 18831 1699 1 5 . 1 1 12 12 THR CA C 12 61.969 61.969 61.111 0.858 18831 1700 1 5 . 1 1 12 12 THR CB C 12 61.769 61.769 70.014 -8.245 18831 1701 1 5 . 1 1 13 13 THR N N 13 124.317 124.317 117.830 6.487 18831 1702 1 5 . 1 1 13 13 THR HA H 13 4.721 4.721 4.653 0.068 18831 1703 1 5 . 1 1 13 13 THR C C 13 173.104 173.104 173.551 -0.447 18831 1704 1 5 . 1 1 13 13 THR CA C 13 61.786 61.786 62.068 -0.282 18831 1705 1 5 . 1 1 13 13 THR CB C 13 70.179 70.179 72.388 -2.209 18831 1706 1 5 . 1 1 13 13 THR H H 13 9.028 9.028 8.240 0.788 18831 1707 1 5 . 1 1 14 14 THR N N 14 122.168 122.168 119.541 2.627 18831 1708 1 5 . 1 1 14 14 THR HA H 14 5.055 5.055 5.024 0.031 18831 1709 1 5 . 1 1 14 14 THR C C 14 173.274 173.274 174.760 -1.486 18831 1710 1 5 . 1 1 14 14 THR CA C 14 61.284 61.284 61.613 -0.329 18831 1711 1 5 . 1 1 14 14 THR CB C 14 69.510 69.510 68.563 0.947 18831 1712 1 5 . 1 1 14 14 THR H H 14 8.731 8.731 8.461 0.270 18831 1713 1 5 . 1 1 15 15 LEU N N 15 125.117 125.117 128.483 -3.366 18831 1714 1 5 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.448 0.324 18831 1715 1 5 . 1 1 15 15 LEU C C 15 174.702 174.702 176.455 -1.753 18831 1716 1 5 . 1 1 15 15 LEU CA C 15 52.451 52.451 54.246 -1.795 18831 1717 1 5 . 1 1 15 15 LEU CB C 15 46.271 46.271 43.039 3.232 18831 1718 1 5 . 1 1 15 15 LEU H H 15 8.912 8.912 8.252 0.660 18831 1719 1 5 . 1 1 16 16 GLU N N 16 122.278 122.278 125.340 -3.062 18831 1720 1 5 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.409 0.585 18831 1721 1 5 . 1 1 16 16 GLU C C 16 175.926 175.926 175.431 0.495 18831 1722 1 5 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.503 -1.443 18831 1723 1 5 . 1 1 16 16 GLU CB C 16 28.484 28.484 29.750 -1.266 18831 1724 1 5 . 1 1 16 16 GLU H H 16 8.224 8.224 8.665 -0.441 18831 1725 1 5 . 1 1 17 17 VAL N N 17 116.959 116.959 120.461 -3.502 18831 1726 1 5 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.455 0.321 18831 1727 1 5 . 1 1 17 17 VAL C C 17 173.767 173.767 174.276 -0.509 18831 1728 1 5 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.962 -1.757 18831 1729 1 5 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.895 0.974 18831 1730 1 5 . 1 1 17 17 VAL H H 17 8.881 8.881 7.851 1.030 18831 1731 1 5 . 1 1 18 18 GLU N N 18 118.016 118.016 119.761 -1.745 18831 1732 1 5 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.698 0.364 18831 1733 1 5 . 1 1 18 18 GLU CA C 18 52.483 52.483 52.874 -0.391 18831 1734 1 5 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.553 -1.960 18831 1735 1 5 . 1 1 18 18 GLU H H 18 8.492 8.492 8.383 0.109 18831 1736 1 5 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.071 0.111 18831 1737 1 5 . 1 1 19 19 PRO C C 19 175.297 175.297 178.186 -2.889 18831 1738 1 5 . 1 1 19 19 PRO CA C 19 64.890 64.890 66.215 -1.325 18831 1739 1 5 . 1 1 19 19 PRO CB C 19 31.116 31.116 32.082 -0.966 18831 1740 1 5 . 1 1 20 20 SER N N 20 103.828 103.828 111.783 -7.955 18831 1741 1 5 . 1 1 20 20 SER HA H 20 4.437 4.437 4.210 0.227 18831 1742 1 5 . 1 1 20 20 SER C C 20 174.447 174.447 174.901 -0.454 18831 1743 1 5 . 1 1 20 20 SER CA C 20 56.743 56.743 60.096 -3.353 18831 1744 1 5 . 1 1 20 20 SER CB C 20 62.880 62.880 63.092 -0.212 18831 1745 1 5 . 1 1 20 20 SER H H 20 7.103 7.103 8.350 -1.247 18831 1746 1 5 . 1 1 21 21 ASP N N 21 123.913 123.913 122.622 1.291 18831 1747 1 5 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.588 0.150 18831 1748 1 5 . 1 1 21 21 ASP C C 21 176.402 176.402 175.635 0.767 18831 1749 1 5 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.731 0.659 18831 1750 1 5 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.862 -1.492 18831 1751 1 5 . 1 1 21 21 ASP H H 21 8.045 8.045 7.842 0.203 18831 1752 1 5 . 1 1 22 22 THR N N 22 109.500 109.500 115.342 -5.842 18831 1753 1 5 . 1 1 22 22 THR HA H 22 4.938 4.938 4.468 0.470 18831 1754 1 5 . 1 1 22 22 THR C C 22 176.555 176.555 176.179 0.376 18831 1755 1 5 . 1 1 22 22 THR CA C 22 59.079 59.079 60.559 -1.480 18831 1756 1 5 . 1 1 22 22 THR CB C 22 70.433 70.433 71.043 -0.610 18831 1757 1 5 . 1 1 22 22 THR H H 22 7.967 7.967 7.928 0.039 18831 1758 1 5 . 1 1 23 23 ILE N N 23 121.579 121.579 120.972 0.607 18831 1759 1 5 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.801 -0.109 18831 1760 1 5 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.643 -0.824 18831 1761 1 5 . 1 1 23 23 ILE CB C 23 33.920 33.920 35.963 -2.043 18831 1762 1 5 . 1 1 23 23 ILE H H 23 8.628 8.628 8.164 0.464 18831 1763 1 5 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.874 0.080 18831 1764 1 5 . 1 1 24 24 GLU C C 24 179.002 179.002 178.730 0.272 18831 1765 1 5 . 1 1 24 24 GLU CA C 24 60.330 60.330 59.725 0.605 18831 1766 1 5 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.147 -1.207 18831 1767 1 5 . 1 1 25 25 ASN N N 25 121.468 121.468 117.447 4.021 18831 1768 1 5 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.511 0.109 18831 1769 1 5 . 1 1 25 25 ASN C C 25 178.322 178.322 177.638 0.684 18831 1770 1 5 . 1 1 25 25 ASN CA C 25 55.244 55.244 56.114 -0.869 18831 1771 1 5 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.570 -0.810 18831 1772 1 5 . 1 1 25 25 ASN H H 25 7.953 7.953 7.577 0.376 18831 1773 1 5 . 1 1 26 26 VAL N N 26 122.536 122.536 120.854 1.682 18831 1774 1 5 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.425 0.059 18831 1775 1 5 . 1 1 26 26 VAL C C 26 177.812 177.812 178.067 -0.255 18831 1776 1 5 . 1 1 26 26 VAL CA C 26 67.046 67.046 67.029 0.016 18831 1777 1 5 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.580 -1.280 18831 1778 1 5 . 1 1 26 26 VAL H H 26 8.312 8.312 7.552 0.760 18831 1779 1 5 . 1 1 27 27 LYS N N 27 119.303 119.303 119.034 0.269 18831 1780 1 5 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.967 0.620 18831 1781 1 5 . 1 1 27 27 LYS C C 27 180.277 180.277 178.727 1.550 18831 1782 1 5 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.691 -0.808 18831 1783 1 5 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.123 0.980 18831 1784 1 5 . 1 1 27 27 LYS H H 27 8.742 8.742 8.346 0.396 18831 1785 1 5 . 1 1 28 28 ALA N N 28 123.505 123.505 122.749 0.756 18831 1786 1 5 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.108 0.122 18831 1787 1 5 . 1 1 28 28 ALA C C 28 180.215 180.215 179.251 0.964 18831 1788 1 5 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.826 0.014 18831 1789 1 5 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.348 -1.252 18831 1790 1 5 . 1 1 28 28 ALA H H 28 7.877 7.877 7.669 0.208 18831 1791 1 5 . 1 1 29 29 LYS N N 29 120.598 120.598 117.661 2.937 18831 1792 1 5 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.063 0.187 18831 1793 1 5 . 1 1 29 29 LYS C C 29 180.229 180.229 179.115 1.114 18831 1794 1 5 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.837 0.305 18831 1795 1 5 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.322 0.198 18831 1796 1 5 . 1 1 29 29 LYS H H 29 7.927 7.927 7.916 0.011 18831 1797 1 5 . 1 1 30 30 ILE N N 30 121.068 121.068 120.485 0.583 18831 1798 1 5 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.678 -0.098 18831 1799 1 5 . 1 1 30 30 ILE C C 30 180.286 180.286 177.470 2.816 18831 1800 1 5 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.077 0.300 18831 1801 1 5 . 1 1 30 30 ILE CB C 30 36.440 36.440 38.006 -1.566 18831 1802 1 5 . 1 1 30 30 ILE H H 30 8.614 8.614 7.889 0.725 18831 1803 1 5 . 1 1 31 31 GLN N N 31 126.930 126.930 118.854 8.076 18831 1804 1 5 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.909 0.088 18831 1805 1 5 . 1 1 31 31 GLN C C 31 178.844 178.844 177.121 1.723 18831 1806 1 5 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.513 0.673 18831 1807 1 5 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.219 -1.119 18831 1808 1 5 . 1 1 31 31 GLN H H 31 8.756 8.756 8.548 0.208 18831 1809 1 5 . 1 1 32 32 ASP N N 32 120.549 120.549 118.970 1.579 18831 1810 1 5 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.623 -0.209 18831 1811 1 5 . 1 1 32 32 ASP C C 32 177.501 177.501 177.567 -0.066 18831 1812 1 5 . 1 1 32 32 ASP CA C 32 57.031 57.031 56.062 0.969 18831 1813 1 5 . 1 1 32 32 ASP CB C 32 40.370 40.370 40.934 -0.564 18831 1814 1 5 . 1 1 32 32 ASP H H 32 8.033 8.033 7.575 0.458 18831 1815 1 5 . 1 1 33 33 LYS N N 33 113.834 113.834 118.722 -4.888 18831 1816 1 5 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.315 0.018 18831 1817 1 5 . 1 1 33 33 LYS C C 33 178.038 178.038 178.054 -0.016 18831 1818 1 5 . 1 1 33 33 LYS CA C 33 56.860 56.860 58.089 -1.229 18831 1819 1 5 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.432 -0.072 18831 1820 1 5 . 1 1 33 33 LYS H H 33 7.386 7.386 7.825 -0.439 18831 1821 1 5 . 1 1 34 34 THR N N 34 106.465 106.465 108.913 -2.448 18831 1822 1 5 . 1 1 34 34 THR HA H 34 4.718 4.718 4.339 0.379 18831 1823 1 5 . 1 1 34 34 THR C C 34 175.819 175.819 176.103 -0.284 18831 1824 1 5 . 1 1 34 34 THR CA C 34 62.179 62.179 62.458 -0.279 18831 1825 1 5 . 1 1 34 34 THR CB C 34 72.477 72.477 70.848 1.629 18831 1826 1 5 . 1 1 34 34 THR H H 34 8.263 8.263 8.339 -0.076 18831 1827 1 5 . 1 1 35 35 GLY N N 35 112.744 112.744 111.324 1.420 18831 1828 1 5 . 1 1 35 35 GLY C C 35 174.166 174.166 174.229 -0.063 18831 1829 1 5 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.408 -0.803 18831 1830 1 5 . 1 1 35 35 GLY H H 35 8.810 8.810 7.915 0.895 18831 1831 1 5 . 1 1 36 36 LEU N N 36 125.200 125.200 122.685 2.515 18831 1832 1 5 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.495 0.040 18831 1833 1 5 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.987 0.097 18831 1834 1 5 . 1 1 36 36 LEU CB C 36 42.445 42.445 41.820 0.625 18831 1835 1 5 . 1 1 36 36 LEU H H 36 7.614 7.614 7.338 0.276 18831 1836 1 5 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.680 -0.016 18831 1837 1 5 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.045 -0.145 18831 1838 1 5 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.061 -0.191 18831 1839 1 5 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.423 -0.273 18831 1840 1 5 . 1 1 38 38 PRO C C 38 178.123 178.123 177.199 0.924 18831 1841 1 5 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.347 0.254 18831 1842 1 5 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.763 0.637 18831 1843 1 5 . 1 1 39 39 ASP N N 39 113.380 113.380 116.030 -2.650 18831 1844 1 5 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.559 -0.082 18831 1845 1 5 . 1 1 39 39 ASP C C 39 176.823 176.823 177.114 -0.291 18831 1846 1 5 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.646 -0.596 18831 1847 1 5 . 1 1 39 39 ASP CB C 39 39.150 39.150 40.123 -0.973 18831 1848 1 5 . 1 1 39 39 ASP H H 39 8.518 8.518 8.733 -0.215 18831 1849 1 5 . 1 1 40 40 GLN N N 40 116.933 116.933 118.201 -1.268 18831 1850 1 5 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.536 0.009 18831 1851 1 5 . 1 1 40 40 GLN C C 40 174.900 174.900 177.152 -2.252 18831 1852 1 5 . 1 1 40 40 GLN CA C 40 54.940 54.940 56.283 -1.343 18831 1853 1 5 . 1 1 40 40 GLN CB C 40 29.160 29.160 30.236 -1.076 18831 1854 1 5 . 1 1 40 40 GLN H H 40 7.864 7.864 7.605 0.259 18831 1855 1 5 . 1 1 41 41 GLN N N 41 118.389 118.389 120.206 -1.817 18831 1856 1 5 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.080 0.301 18831 1857 1 5 . 1 1 41 41 GLN C C 41 175.848 175.848 175.353 0.495 18831 1858 1 5 . 1 1 41 41 GLN CA C 41 55.276 55.276 57.246 -1.970 18831 1859 1 5 . 1 1 41 41 GLN CB C 41 30.840 30.840 29.218 1.622 18831 1860 1 5 . 1 1 41 41 GLN H H 41 7.446 7.446 7.800 -0.354 18831 1861 1 5 . 1 1 42 42 ARG N N 42 123.499 123.499 121.482 2.017 18831 1862 1 5 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.571 -0.010 18831 1863 1 5 . 1 1 42 42 ARG C C 42 173.812 173.812 173.940 -0.128 18831 1864 1 5 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.339 -0.406 18831 1865 1 5 . 1 1 42 42 ARG CB C 42 30.807 30.807 33.076 -2.269 18831 1866 1 5 . 1 1 42 42 ARG H H 42 8.408 8.408 8.365 0.043 18831 1867 1 5 . 1 1 43 43 LEU N N 43 124.567 124.567 126.959 -2.392 18831 1868 1 5 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.108 0.253 18831 1869 1 5 . 1 1 43 43 LEU C C 43 175.353 175.353 175.468 -0.115 18831 1870 1 5 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.598 -1.025 18831 1871 1 5 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.246 0.468 18831 1872 1 5 . 1 1 43 43 LEU H H 43 8.859 8.859 8.801 0.058 18831 1873 1 5 . 1 1 44 44 ILE N N 44 122.662 122.662 121.935 0.727 18831 1874 1 5 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.959 0.041 18831 1875 1 5 . 1 1 44 44 ILE C C 44 175.579 175.579 174.407 1.172 18831 1876 1 5 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.274 -1.964 18831 1877 1 5 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.993 -1.465 18831 1878 1 5 . 1 1 44 44 ILE H H 44 9.206 9.206 8.143 1.063 18831 1879 1 5 . 1 1 45 45 PHE N N 45 124.709 124.709 127.571 -2.862 18831 1880 1 5 . 1 1 45 45 PHE HA H 45 5.238 5.238 5.014 0.224 18831 1881 1 5 . 1 1 45 45 PHE C C 45 174.561 174.561 175.155 -0.594 18831 1882 1 5 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.815 0.034 18831 1883 1 5 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.661 0.229 18831 1884 1 5 . 1 1 45 45 PHE H H 45 8.828 8.828 8.807 0.021 18831 1885 1 5 . 1 1 46 46 ALA N N 46 132.860 132.860 128.645 4.215 18831 1886 1 5 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.608 0.143 18831 1887 1 5 . 1 1 46 46 ALA C C 46 177.247 177.247 176.770 0.477 18831 1888 1 5 . 1 1 46 46 ALA CA C 46 51.858 51.858 53.213 -1.355 18831 1889 1 5 . 1 1 46 46 ALA CB C 46 15.885 15.885 17.041 -1.156 18831 1890 1 5 . 1 1 46 46 ALA H H 46 9.010 9.010 9.090 -0.080 18831 1891 1 5 . 1 1 47 47 GLY N N 47 102.630 102.630 102.936 -0.306 18831 1892 1 5 . 1 1 47 47 GLY C C 47 173.643 173.643 174.943 -1.300 18831 1893 1 5 . 1 1 47 47 GLY CA C 47 44.703 44.703 44.788 -0.085 18831 1894 1 5 . 1 1 47 47 GLY H H 47 8.089 8.089 8.349 -0.260 18831 1895 1 5 . 1 1 48 48 LYS N N 48 122.237 122.237 122.439 -0.202 18831 1896 1 5 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.315 0.352 18831 1897 1 5 . 1 1 48 48 LYS C C 48 174.519 174.519 175.780 -1.261 18831 1898 1 5 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.433 -2.432 18831 1899 1 5 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.181 0.369 18831 1900 1 5 . 1 1 48 48 LYS H H 48 8.028 8.028 7.901 0.127 18831 1901 1 5 . 1 1 49 49 GLN N N 49 123.092 123.092 123.559 -0.467 18831 1902 1 5 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.473 0.024 18831 1903 1 5 . 1 1 49 49 GLN C C 49 175.635 175.635 175.621 0.014 18831 1904 1 5 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.580 -0.190 18831 1905 1 5 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.708 -1.301 18831 1906 1 5 . 1 1 49 49 GLN H H 49 8.643 8.643 8.516 0.127 18831 1907 1 5 . 1 1 50 50 LEU N N 50 125.507 125.507 129.096 -3.589 18831 1908 1 5 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.156 -0.003 18831 1909 1 5 . 1 1 50 50 LEU C C 50 176.611 176.611 175.741 0.870 18831 1910 1 5 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.343 -0.772 18831 1911 1 5 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.120 -1.317 18831 1912 1 5 . 1 1 50 50 LEU H H 50 8.544 8.544 8.150 0.394 18831 1913 1 5 . 1 1 51 51 GLU N N 51 123.223 123.223 121.138 2.085 18831 1914 1 5 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.618 -0.009 18831 1915 1 5 . 1 1 51 51 GLU C C 51 175.226 175.226 175.022 0.204 18831 1916 1 5 . 1 1 51 51 GLU CA C 51 55.480 55.480 55.163 0.317 18831 1917 1 5 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.412 -2.112 18831 1918 1 5 . 1 1 51 51 GLU H H 51 8.410 8.410 8.655 -0.245 18831 1919 1 5 . 1 1 52 52 ASP N N 52 120.438 120.438 121.303 -0.865 18831 1920 1 5 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.395 0.038 18831 1921 1 5 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.861 0.132 18831 1922 1 5 . 1 1 52 52 ASP CB C 52 40.080 40.080 41.294 -1.214 18831 1923 1 5 . 1 1 52 52 ASP H H 52 8.202 8.202 8.531 -0.329 18831 1924 1 5 . 1 1 53 53 GLY C C 53 174.703 174.703 174.011 0.692 18831 1925 1 5 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.206 -0.397 18831 1926 1 5 . 1 1 54 54 ARG N N 54 119.424 119.424 119.426 -0.002 18831 1927 1 5 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.771 0.025 18831 1928 1 5 . 1 1 54 54 ARG C C 54 175.226 175.226 174.657 0.569 18831 1929 1 5 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.319 -0.752 18831 1930 1 5 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.204 -1.244 18831 1931 1 5 . 1 1 54 54 ARG H H 54 7.485 7.485 7.641 -0.156 18831 1932 1 5 . 1 1 55 55 THR N N 55 109.146 109.146 112.267 -3.121 18831 1933 1 5 . 1 1 55 55 THR HA H 55 5.330 5.330 4.732 0.598 18831 1934 1 5 . 1 1 55 55 THR C C 55 176.484 176.484 175.692 0.792 18831 1935 1 5 . 1 1 55 55 THR CA C 55 59.151 59.151 59.972 -0.821 18831 1936 1 5 . 1 1 55 55 THR CB C 55 71.868 71.868 71.787 0.080 18831 1937 1 5 . 1 1 55 55 THR H H 55 8.915 8.915 8.233 0.682 18831 1938 1 5 . 1 1 56 56 LEU N N 56 117.771 117.771 120.815 -3.044 18831 1939 1 5 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.157 -0.033 18831 1940 1 5 . 1 1 56 56 LEU C C 56 180.611 180.611 178.756 1.855 18831 1941 1 5 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.311 -0.336 18831 1942 1 5 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.522 -1.746 18831 1943 1 5 . 1 1 56 56 LEU H H 56 8.192 8.192 8.565 -0.373 18831 1944 1 5 . 1 1 57 57 SER N N 57 113.230 113.230 112.405 0.825 18831 1945 1 5 . 1 1 57 57 SER HA H 57 4.323 4.323 4.144 0.179 18831 1946 1 5 . 1 1 57 57 SER C C 57 178.166 178.166 175.130 3.036 18831 1947 1 5 . 1 1 57 57 SER CA C 57 60.523 60.523 60.804 -0.281 18831 1948 1 5 . 1 1 57 57 SER CB C 57 61.940 61.940 62.833 -0.893 18831 1949 1 5 . 1 1 57 57 SER H H 57 8.423 8.423 8.208 0.215 18831 1950 1 5 . 1 1 58 58 ASP N N 58 124.565 124.565 121.704 2.861 18831 1951 1 5 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.465 -0.123 18831 1952 1 5 . 1 1 58 58 ASP C C 58 177.303 177.303 176.929 0.374 18831 1953 1 5 . 1 1 58 58 ASP CA C 58 56.860 56.860 55.697 1.163 18831 1954 1 5 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.917 -1.130 18831 1955 1 5 . 1 1 58 58 ASP H H 58 7.945 7.945 7.669 0.276 18831 1956 1 5 . 1 1 59 59 TYR N N 59 115.843 115.843 117.269 -1.426 18831 1957 1 5 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.480 0.216 18831 1958 1 5 . 1 1 59 59 TYR C C 59 174.590 174.590 175.355 -0.765 18831 1959 1 5 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.795 -1.050 18831 1960 1 5 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.504 0.926 18831 1961 1 5 . 1 1 59 59 TYR H H 59 7.311 7.311 7.274 0.037 18831 1962 1 5 . 1 1 60 60 ASN N N 60 115.827 115.827 113.231 2.596 18831 1963 1 5 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.297 0.110 18831 1964 1 5 . 1 1 60 60 ASN C C 60 174.165 174.165 174.538 -0.373 18831 1965 1 5 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.103 -0.520 18831 1966 1 5 . 1 1 60 60 ASN CB C 60 36.726 36.726 37.025 -0.299 18831 1967 1 5 . 1 1 60 60 ASN H H 60 8.161 8.161 7.701 0.460 18831 1968 1 5 . 1 1 61 61 ILE N N 61 118.960 118.960 120.225 -1.265 18831 1969 1 5 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.481 -0.078 18831 1970 1 5 . 1 1 61 61 ILE C C 61 174.378 174.378 175.345 -0.967 18831 1971 1 5 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.618 -0.692 18831 1972 1 5 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.425 -1.167 18831 1973 1 5 . 1 1 61 61 ILE H H 61 7.211 7.211 7.594 -0.383 18831 1974 1 5 . 1 1 62 62 GLN N N 62 124.901 124.901 125.153 -0.252 18831 1975 1 5 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.576 0.012 18831 1976 1 5 . 1 1 62 62 GLN C C 62 175.611 175.611 175.476 0.135 18831 1977 1 5 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.728 -0.618 18831 1978 1 5 . 1 1 62 62 GLN CB C 62 31.093 31.093 31.372 -0.279 18831 1979 1 5 . 1 1 62 62 GLN H H 62 7.665 7.665 7.825 -0.160 18831 1980 1 5 . 1 1 63 63 LYS N N 63 120.318 120.318 119.795 0.523 18831 1981 1 5 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.132 -0.098 18831 1982 1 5 . 1 1 63 63 LYS C C 63 175.880 175.880 176.847 -0.967 18831 1983 1 5 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.728 0.732 18831 1984 1 5 . 1 1 63 63 LYS CB C 63 31.860 31.860 32.891 -1.031 18831 1985 1 5 . 1 1 63 63 LYS H H 63 8.473 8.473 8.352 0.121 18831 1986 1 5 . 1 1 64 64 GLU N N 64 114.842 114.842 117.881 -3.039 18831 1987 1 5 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.441 0.985 18831 1988 1 5 . 1 1 64 64 GLU C C 64 175.202 175.202 175.675 -0.473 18831 1989 1 5 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.935 0.879 18831 1990 1 5 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.444 -1.993 18831 1991 1 5 . 1 1 64 64 GLU H H 64 9.299 9.299 8.213 1.086 18831 1992 1 5 . 1 1 65 65 SER N N 65 115.119 115.119 114.183 0.936 18831 1993 1 5 . 1 1 65 65 SER HA H 65 4.712 4.712 4.441 0.271 18831 1994 1 5 . 1 1 65 65 SER C C 65 171.974 171.974 174.073 -2.099 18831 1995 1 5 . 1 1 65 65 SER CA C 65 60.390 60.390 59.182 1.208 18831 1996 1 5 . 1 1 65 65 SER CB C 65 64.259 64.259 63.720 0.539 18831 1997 1 5 . 1 1 65 65 SER H H 65 7.778 7.778 7.222 0.556 18831 1998 1 5 . 1 1 66 66 THR N N 66 117.698 117.698 122.653 -4.955 18831 1999 1 5 . 1 1 66 66 THR HA H 66 5.342 5.342 4.748 0.594 18831 2000 1 5 . 1 1 66 66 THR C C 66 173.567 173.567 174.643 -1.076 18831 2001 1 5 . 1 1 66 66 THR CA C 66 61.850 61.850 62.833 -0.983 18831 2002 1 5 . 1 1 66 66 THR CB C 66 69.772 69.772 69.170 0.602 18831 2003 1 5 . 1 1 66 66 THR H H 66 8.764 8.764 8.612 0.152 18831 2004 1 5 . 1 1 67 67 LEU N N 67 127.655 127.655 127.061 0.594 18831 2005 1 5 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.767 0.375 18831 2006 1 5 . 1 1 67 67 LEU C C 67 175.119 175.119 176.456 -1.337 18831 2007 1 5 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.252 -0.032 18831 2008 1 5 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.248 0.551 18831 2009 1 5 . 1 1 67 67 LEU H H 67 9.400 9.400 7.741 1.659 18831 2010 1 5 . 1 1 68 68 HIS N N 68 120.510 120.510 114.969 5.541 18831 2011 1 5 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.931 0.492 18831 2012 1 5 . 1 1 68 68 HIS C C 68 174.246 174.246 174.182 0.064 18831 2013 1 5 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.687 -0.605 18831 2014 1 5 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.658 0.652 18831 2015 1 5 . 1 1 68 68 HIS H H 68 9.128 9.128 8.203 0.925 18831 2016 1 5 . 1 1 69 69 ILE N N 69 120.349 120.349 126.062 -5.713 18831 2017 1 5 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.802 0.371 18831 2018 1 5 . 1 1 69 69 ILE C C 69 174.800 174.800 175.627 -0.827 18831 2019 1 5 . 1 1 69 69 ILE CA C 69 58.474 58.474 60.832 -2.358 18831 2020 1 5 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.475 1.617 18831 2021 1 5 . 1 1 69 69 ILE H H 69 8.369 8.369 8.097 0.272 18831 2022 1 5 . 1 1 70 70 VAL N N 70 126.551 126.551 127.927 -1.376 18831 2023 1 5 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.293 0.074 18831 2024 1 5 . 1 1 70 70 VAL C C 70 174.467 174.467 174.589 -0.122 18831 2025 1 5 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.452 -1.153 18831 2026 1 5 . 1 1 70 70 VAL CB C 70 33.550 33.550 33.193 0.357 18831 2027 1 5 . 1 1 70 70 VAL H H 70 8.944 8.944 7.969 0.975 18831 2028 1 5 . 1 1 71 71 TRP N N 71 125.438 125.438 130.117 -4.679 18831 2029 1 5 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.890 0.218 18831 2030 1 5 . 1 1 71 71 TRP C C 71 175.797 175.797 174.440 1.357 18831 2031 1 5 . 1 1 71 71 TRP CA C 71 55.745 55.745 56.498 -0.753 18831 2032 1 5 . 1 1 71 71 TRP CB C 71 30.099 30.099 31.544 -1.445 18831 2033 1 5 . 1 1 71 71 TRP H H 71 8.425 8.425 8.373 0.052 18831 2034 1 5 . 1 1 72 72 ARG N N 72 125.700 125.700 128.700 -3.000 18831 2035 1 5 . 1 1 72 72 ARG HA H 72 4.283 4.283 3.895 0.388 18831 2036 1 5 . 1 1 72 72 ARG C C 72 174.661 174.661 174.075 0.586 18831 2037 1 5 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.990 -0.933 18831 2038 1 5 . 1 1 72 72 ARG CB C 72 30.560 30.560 32.142 -1.582 18831 2039 1 5 . 1 1 72 72 ARG H H 72 8.261 8.261 8.508 -0.247 18831 2040 1 5 . 1 1 73 73 LEU N N 73 123.370 123.370 125.885 -2.515 18831 2041 1 5 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.342 -0.122 18831 2042 1 5 . 1 1 73 73 LEU C C 73 177.072 177.072 176.685 0.387 18831 2043 1 5 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.208 0.422 18831 2044 1 5 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.040 -0.398 18831 2045 1 5 . 1 1 73 73 LEU H H 73 7.901 7.901 8.258 -0.357 18831 2046 1 5 . 1 1 74 74 ARG N N 74 121.200 121.200 124.319 -3.119 18831 2047 1 5 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.507 -0.220 18831 2048 1 5 . 1 1 74 74 ARG C C 74 176.609 176.609 176.036 0.573 18831 2049 1 5 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.088 -0.318 18831 2050 1 5 . 1 1 74 74 ARG CB C 74 29.900 29.900 31.071 -1.171 18831 2051 1 5 . 1 1 74 74 ARG H H 74 8.211 8.211 8.677 -0.466 18831 2052 1 5 . 1 1 75 75 GLY N N 75 110.833 110.833 110.736 0.097 18831 2053 1 5 . 1 1 75 75 GLY C C 75 173.520 173.520 173.618 -0.098 18831 2054 1 5 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.545 0.036 18831 2055 1 5 . 1 1 75 75 GLY H H 75 8.434 8.434 8.491 -0.057 18831 2056 1 6 . 1 1 2 2 GLN N N 2 121.114 121.114 121.086 0.028 18831 2057 1 6 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.231 0.133 18831 2058 1 6 . 1 1 2 2 GLN C C 2 175.892 175.892 175.974 -0.082 18831 2059 1 6 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.717 -0.889 18831 2060 1 6 . 1 1 2 2 GLN CB C 2 29.948 29.948 30.619 -0.671 18831 2061 1 6 . 1 1 2 2 GLN H H 2 8.384 8.384 8.235 0.149 18831 2062 1 6 . 1 1 3 3 ILE N N 3 114.990 114.990 112.442 2.548 18831 2063 1 6 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.221 0.089 18831 2064 1 6 . 1 1 3 3 ILE C C 3 172.645 172.645 173.950 -1.305 18831 2065 1 6 . 1 1 3 3 ILE CA C 3 58.775 58.775 60.241 -1.466 18831 2066 1 6 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.534 -0.170 18831 2067 1 6 . 1 1 3 3 ILE H H 3 8.392 8.392 7.744 0.648 18831 2068 1 6 . 1 1 4 4 PHE N N 4 118.863 118.863 122.867 -4.004 18831 2069 1 6 . 1 1 4 4 PHE HA H 4 5.548 5.548 4.752 0.796 18831 2070 1 6 . 1 1 4 4 PHE C C 4 175.076 175.076 175.169 -0.093 18831 2071 1 6 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.532 0.527 18831 2072 1 6 . 1 1 4 4 PHE CB C 4 40.410 40.410 38.342 2.068 18831 2073 1 6 . 1 1 4 4 PHE H H 4 8.731 8.731 8.084 0.647 18831 2074 1 6 . 1 1 5 5 VAL N N 5 119.550 119.550 118.289 1.261 18831 2075 1 6 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.518 0.537 18831 2076 1 6 . 1 1 5 5 VAL C C 5 174.974 174.974 175.228 -0.254 18831 2077 1 6 . 1 1 5 5 VAL CA C 5 59.904 59.904 59.879 0.025 18831 2078 1 6 . 1 1 5 5 VAL CB C 5 33.375 33.375 32.625 0.750 18831 2079 1 6 . 1 1 5 5 VAL H H 5 9.155 9.155 7.988 1.167 18831 2080 1 6 . 1 1 6 6 LYS N N 6 129.015 129.015 128.391 0.624 18831 2081 1 6 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.472 0.505 18831 2082 1 6 . 1 1 6 6 LYS C C 6 176.045 176.045 176.901 -0.856 18831 2083 1 6 . 1 1 6 6 LYS CA C 6 54.697 54.697 56.045 -1.348 18831 2084 1 6 . 1 1 6 6 LYS CB C 6 34.391 34.391 32.398 1.993 18831 2085 1 6 . 1 1 6 6 LYS H H 6 9.078 9.078 8.507 0.571 18831 2086 1 6 . 1 1 7 7 GLY N N 7 111.500 111.500 111.738 -0.238 18831 2087 1 6 . 1 1 7 7 GLY C C 7 175.552 175.552 174.865 0.687 18831 2088 1 6 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.832 0.092 18831 2089 1 6 . 1 1 7 7 GLY H H 7 8.649 8.649 7.942 0.707 18831 2090 1 6 . 1 1 8 8 LEU N N 8 120.313 120.313 118.931 1.382 18831 2091 1 6 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.172 0.131 18831 2092 1 6 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.537 -1.039 18831 2093 1 6 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.691 0.089 18831 2094 1 6 . 1 1 8 8 LEU H H 8 8.562 8.562 8.541 0.021 18831 2095 1 6 . 1 1 9 9 THR HA H 9 4.564 4.564 4.238 0.326 18831 2096 1 6 . 1 1 9 9 THR C C 9 175.093 175.093 175.435 -0.342 18831 2097 1 6 . 1 1 9 9 THR CA C 9 60.451 60.451 63.432 -2.981 18831 2098 1 6 . 1 1 9 9 THR CB C 9 69.020 69.020 68.660 0.360 18831 2099 1 6 . 1 1 10 10 GLY N N 10 109.154 109.154 108.194 0.960 18831 2100 1 6 . 1 1 10 10 GLY C C 10 174.039 174.039 173.943 0.096 18831 2101 1 6 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.807 0.029 18831 2102 1 6 . 1 1 10 10 GLY H H 10 8.123 8.123 7.516 0.607 18831 2103 1 6 . 1 1 11 11 LYS N N 11 120.968 120.968 121.566 -0.598 18831 2104 1 6 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.431 0.369 18831 2105 1 6 . 1 1 11 11 LYS CA C 11 55.640 55.640 55.865 -0.225 18831 2106 1 6 . 1 1 11 11 LYS CB C 11 32.390 32.390 33.288 -0.898 18831 2107 1 6 . 1 1 11 11 LYS H H 11 8.021 8.021 7.799 0.222 18831 2108 1 6 . 1 1 12 12 THR HA H 12 5.006 5.006 5.129 -0.123 18831 2109 1 6 . 1 1 12 12 THR C C 12 174.362 174.362 174.890 -0.528 18831 2110 1 6 . 1 1 12 12 THR CA C 12 61.969 61.969 61.085 0.884 18831 2111 1 6 . 1 1 12 12 THR CB C 12 61.769 61.769 69.427 -7.658 18831 2112 1 6 . 1 1 13 13 THR N N 13 124.317 124.317 122.650 1.667 18831 2113 1 6 . 1 1 13 13 THR HA H 13 4.721 4.721 4.619 0.102 18831 2114 1 6 . 1 1 13 13 THR C C 13 173.104 173.104 174.153 -1.049 18831 2115 1 6 . 1 1 13 13 THR CA C 13 61.786 61.786 61.435 0.350 18831 2116 1 6 . 1 1 13 13 THR CB C 13 70.179 70.179 70.583 -0.404 18831 2117 1 6 . 1 1 13 13 THR H H 13 9.028 9.028 8.218 0.810 18831 2118 1 6 . 1 1 14 14 THR N N 14 122.168 122.168 119.963 2.205 18831 2119 1 6 . 1 1 14 14 THR HA H 14 5.055 5.055 4.848 0.207 18831 2120 1 6 . 1 1 14 14 THR C C 14 173.274 173.274 174.626 -1.352 18831 2121 1 6 . 1 1 14 14 THR CA C 14 61.284 61.284 61.969 -0.685 18831 2122 1 6 . 1 1 14 14 THR CB C 14 69.510 69.510 69.007 0.503 18831 2123 1 6 . 1 1 14 14 THR H H 14 8.731 8.731 8.534 0.197 18831 2124 1 6 . 1 1 15 15 LEU N N 15 125.117 125.117 128.366 -3.249 18831 2125 1 6 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.612 0.160 18831 2126 1 6 . 1 1 15 15 LEU C C 15 174.702 174.702 176.368 -1.666 18831 2127 1 6 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.846 -1.395 18831 2128 1 6 . 1 1 15 15 LEU CB C 15 46.271 46.271 43.741 2.530 18831 2129 1 6 . 1 1 15 15 LEU H H 15 8.912 8.912 8.179 0.733 18831 2130 1 6 . 1 1 16 16 GLU N N 16 122.278 122.278 123.105 -0.827 18831 2131 1 6 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.521 0.473 18831 2132 1 6 . 1 1 16 16 GLU C C 16 175.926 175.926 175.582 0.344 18831 2133 1 6 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.463 -1.403 18831 2134 1 6 . 1 1 16 16 GLU CB C 16 28.484 28.484 29.820 -1.335 18831 2135 1 6 . 1 1 16 16 GLU H H 16 8.224 8.224 8.630 -0.406 18831 2136 1 6 . 1 1 17 17 VAL N N 17 116.959 116.959 118.812 -1.853 18831 2137 1 6 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.462 0.314 18831 2138 1 6 . 1 1 17 17 VAL C C 17 173.767 173.767 174.540 -0.773 18831 2139 1 6 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.849 -1.644 18831 2140 1 6 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.670 1.199 18831 2141 1 6 . 1 1 17 17 VAL H H 17 8.881 8.881 8.069 0.812 18831 2142 1 6 . 1 1 18 18 GLU N N 18 118.016 118.016 120.768 -2.752 18831 2143 1 6 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.724 0.338 18831 2144 1 6 . 1 1 18 18 GLU CA C 18 52.483 52.483 52.766 -0.283 18831 2145 1 6 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.553 -1.960 18831 2146 1 6 . 1 1 18 18 GLU H H 18 8.492 8.492 8.413 0.079 18831 2147 1 6 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.069 0.113 18831 2148 1 6 . 1 1 19 19 PRO C C 19 175.297 175.297 178.133 -2.836 18831 2149 1 6 . 1 1 19 19 PRO CA C 19 64.890 64.890 66.246 -1.356 18831 2150 1 6 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.859 -0.743 18831 2151 1 6 . 1 1 20 20 SER N N 20 103.828 103.828 108.298 -4.470 18831 2152 1 6 . 1 1 20 20 SER HA H 20 4.437 4.437 4.221 0.216 18831 2153 1 6 . 1 1 20 20 SER C C 20 174.447 174.447 174.631 -0.184 18831 2154 1 6 . 1 1 20 20 SER CA C 20 56.743 56.743 60.027 -3.284 18831 2155 1 6 . 1 1 20 20 SER CB C 20 62.880 62.880 62.587 0.294 18831 2156 1 6 . 1 1 20 20 SER H H 20 7.103 7.103 8.083 -0.980 18831 2157 1 6 . 1 1 21 21 ASP N N 21 123.913 123.913 124.536 -0.623 18831 2158 1 6 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.520 0.218 18831 2159 1 6 . 1 1 21 21 ASP C C 21 176.402 176.402 176.117 0.285 18831 2160 1 6 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.930 0.460 18831 2161 1 6 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.505 -1.135 18831 2162 1 6 . 1 1 21 21 ASP H H 21 8.045 8.045 7.942 0.103 18831 2163 1 6 . 1 1 22 22 THR N N 22 109.500 109.500 115.181 -5.681 18831 2164 1 6 . 1 1 22 22 THR HA H 22 4.938 4.938 4.568 0.370 18831 2165 1 6 . 1 1 22 22 THR C C 22 176.555 176.555 175.967 0.588 18831 2166 1 6 . 1 1 22 22 THR CA C 22 59.079 59.079 61.115 -2.036 18831 2167 1 6 . 1 1 22 22 THR CB C 22 70.433 70.433 71.020 -0.587 18831 2168 1 6 . 1 1 22 22 THR H H 22 7.967 7.967 7.789 0.178 18831 2169 1 6 . 1 1 23 23 ILE N N 23 121.579 121.579 121.750 -0.171 18831 2170 1 6 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.758 -0.066 18831 2171 1 6 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.521 -0.702 18831 2172 1 6 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.342 -2.422 18831 2173 1 6 . 1 1 23 23 ILE H H 23 8.628 8.628 7.994 0.634 18831 2174 1 6 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.825 0.129 18831 2175 1 6 . 1 1 24 24 GLU C C 24 179.002 179.002 178.846 0.156 18831 2176 1 6 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.023 0.307 18831 2177 1 6 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.390 -1.450 18831 2178 1 6 . 1 1 25 25 ASN N N 25 121.468 121.468 117.618 3.850 18831 2179 1 6 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.527 0.093 18831 2180 1 6 . 1 1 25 25 ASN C C 25 178.322 178.322 177.745 0.577 18831 2181 1 6 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.870 -0.626 18831 2182 1 6 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.111 -0.352 18831 2183 1 6 . 1 1 25 25 ASN H H 25 7.953 7.953 7.542 0.411 18831 2184 1 6 . 1 1 26 26 VAL N N 26 122.536 122.536 120.919 1.617 18831 2185 1 6 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.527 -0.043 18831 2186 1 6 . 1 1 26 26 VAL C C 26 177.812 177.812 178.287 -0.475 18831 2187 1 6 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.881 0.165 18831 2188 1 6 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.440 -1.140 18831 2189 1 6 . 1 1 26 26 VAL H H 26 8.312 8.312 7.580 0.732 18831 2190 1 6 . 1 1 27 27 LYS N N 27 119.303 119.303 119.242 0.061 18831 2191 1 6 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.957 0.630 18831 2192 1 6 . 1 1 27 27 LYS C C 27 180.277 180.277 178.769 1.508 18831 2193 1 6 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.754 -0.871 18831 2194 1 6 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.057 1.046 18831 2195 1 6 . 1 1 27 27 LYS H H 27 8.742 8.742 8.360 0.382 18831 2196 1 6 . 1 1 28 28 ALA N N 28 123.505 123.505 123.084 0.421 18831 2197 1 6 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.058 0.172 18831 2198 1 6 . 1 1 28 28 ALA C C 28 180.215 180.215 179.576 0.639 18831 2199 1 6 . 1 1 28 28 ALA CA C 28 54.840 54.840 55.010 -0.170 18831 2200 1 6 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.269 -1.173 18831 2201 1 6 . 1 1 28 28 ALA H H 28 7.877 7.877 7.620 0.257 18831 2202 1 6 . 1 1 29 29 LYS N N 29 120.598 120.598 118.452 2.146 18831 2203 1 6 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.036 0.214 18831 2204 1 6 . 1 1 29 29 LYS C C 29 180.229 180.229 179.522 0.707 18831 2205 1 6 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.865 0.277 18831 2206 1 6 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.297 0.223 18831 2207 1 6 . 1 1 29 29 LYS H H 29 7.927 7.927 8.162 -0.235 18831 2208 1 6 . 1 1 30 30 ILE N N 30 121.068 121.068 121.086 -0.018 18831 2209 1 6 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.711 -0.131 18831 2210 1 6 . 1 1 30 30 ILE C C 30 180.286 180.286 177.946 2.340 18831 2211 1 6 . 1 1 30 30 ILE CA C 30 65.377 65.377 64.972 0.405 18831 2212 1 6 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.924 -1.484 18831 2213 1 6 . 1 1 30 30 ILE H H 30 8.614 8.614 8.172 0.442 18831 2214 1 6 . 1 1 31 31 GLN N N 31 126.930 126.930 119.725 7.205 18831 2215 1 6 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.925 0.072 18831 2216 1 6 . 1 1 31 31 GLN C C 31 178.844 178.844 176.845 1.999 18831 2217 1 6 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.346 0.840 18831 2218 1 6 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.414 -1.314 18831 2219 1 6 . 1 1 31 31 GLN H H 31 8.756 8.756 8.383 0.373 18831 2220 1 6 . 1 1 32 32 ASP N N 32 120.549 120.549 117.590 2.959 18831 2221 1 6 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.563 -0.149 18831 2222 1 6 . 1 1 32 32 ASP C C 32 177.501 177.501 177.201 0.300 18831 2223 1 6 . 1 1 32 32 ASP CA C 32 57.031 57.031 55.171 1.860 18831 2224 1 6 . 1 1 32 32 ASP CB C 32 40.370 40.370 40.925 -0.555 18831 2225 1 6 . 1 1 32 32 ASP H H 32 8.033 8.033 7.549 0.484 18831 2226 1 6 . 1 1 33 33 LYS N N 33 113.834 113.834 117.747 -3.913 18831 2227 1 6 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.384 -0.051 18831 2228 1 6 . 1 1 33 33 LYS C C 33 178.038 178.038 177.521 0.517 18831 2229 1 6 . 1 1 33 33 LYS CA C 33 56.860 56.860 57.172 -0.312 18831 2230 1 6 . 1 1 33 33 LYS CB C 33 33.360 33.360 34.463 -1.103 18831 2231 1 6 . 1 1 33 33 LYS H H 33 7.386 7.386 8.183 -0.797 18831 2232 1 6 . 1 1 34 34 THR N N 34 106.465 106.465 108.854 -2.389 18831 2233 1 6 . 1 1 34 34 THR HA H 34 4.718 4.718 4.441 0.277 18831 2234 1 6 . 1 1 34 34 THR C C 34 175.819 175.819 175.816 0.003 18831 2235 1 6 . 1 1 34 34 THR CA C 34 62.179 62.179 62.054 0.125 18831 2236 1 6 . 1 1 34 34 THR CB C 34 72.477 72.477 70.023 2.454 18831 2237 1 6 . 1 1 34 34 THR H H 34 8.263 8.263 8.072 0.191 18831 2238 1 6 . 1 1 35 35 GLY N N 35 112.744 112.744 110.760 1.984 18831 2239 1 6 . 1 1 35 35 GLY C C 35 174.166 174.166 174.288 -0.122 18831 2240 1 6 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.726 -1.120 18831 2241 1 6 . 1 1 35 35 GLY H H 35 8.810 8.810 7.776 1.034 18831 2242 1 6 . 1 1 36 36 LEU N N 36 125.200 125.200 122.438 2.762 18831 2243 1 6 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.271 0.264 18831 2244 1 6 . 1 1 36 36 LEU CA C 36 52.084 52.084 52.631 -0.547 18831 2245 1 6 . 1 1 36 36 LEU CB C 36 42.445 42.445 41.834 0.611 18831 2246 1 6 . 1 1 36 36 LEU H H 36 7.614 7.614 7.133 0.481 18831 2247 1 6 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.401 0.263 18831 2248 1 6 . 1 1 37 37 PRO CA C 37 60.900 60.900 62.571 -1.671 18831 2249 1 6 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.332 -0.462 18831 2250 1 6 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.245 -0.095 18831 2251 1 6 . 1 1 38 38 PRO C C 38 178.123 178.123 177.659 0.464 18831 2252 1 6 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.495 0.106 18831 2253 1 6 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.873 0.527 18831 2254 1 6 . 1 1 39 39 ASP N N 39 113.380 113.380 114.365 -0.985 18831 2255 1 6 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.476 0.001 18831 2256 1 6 . 1 1 39 39 ASP C C 39 176.823 176.823 176.302 0.521 18831 2257 1 6 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.071 -0.021 18831 2258 1 6 . 1 1 39 39 ASP CB C 39 39.150 39.150 38.974 0.177 18831 2259 1 6 . 1 1 39 39 ASP H H 39 8.518 8.518 8.584 -0.066 18831 2260 1 6 . 1 1 40 40 GLN N N 40 116.933 116.933 116.603 0.330 18831 2261 1 6 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.688 -0.143 18831 2262 1 6 . 1 1 40 40 GLN C C 40 174.900 174.900 174.815 0.085 18831 2263 1 6 . 1 1 40 40 GLN CA C 40 54.940 54.940 54.849 0.091 18831 2264 1 6 . 1 1 40 40 GLN CB C 40 29.160 29.160 29.254 -0.094 18831 2265 1 6 . 1 1 40 40 GLN H H 40 7.864 7.864 7.713 0.151 18831 2266 1 6 . 1 1 41 41 GLN N N 41 118.389 118.389 119.225 -0.836 18831 2267 1 6 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.508 -0.127 18831 2268 1 6 . 1 1 41 41 GLN C C 41 175.848 175.848 174.539 1.309 18831 2269 1 6 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.298 -0.022 18831 2270 1 6 . 1 1 41 41 GLN CB C 41 30.840 30.840 30.828 0.012 18831 2271 1 6 . 1 1 41 41 GLN H H 41 7.446 7.446 7.312 0.134 18831 2272 1 6 . 1 1 42 42 ARG N N 42 123.499 123.499 123.383 0.116 18831 2273 1 6 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.531 0.030 18831 2274 1 6 . 1 1 42 42 ARG C C 42 173.812 173.812 173.934 -0.122 18831 2275 1 6 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.961 -1.028 18831 2276 1 6 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.690 -1.883 18831 2277 1 6 . 1 1 42 42 ARG H H 42 8.408 8.408 8.540 -0.132 18831 2278 1 6 . 1 1 43 43 LEU N N 43 124.567 124.567 125.796 -1.229 18831 2279 1 6 . 1 1 43 43 LEU HA H 43 5.361 5.361 4.986 0.375 18831 2280 1 6 . 1 1 43 43 LEU C C 43 175.353 175.353 175.386 -0.033 18831 2281 1 6 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.681 -1.108 18831 2282 1 6 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.835 -0.121 18831 2283 1 6 . 1 1 43 43 LEU H H 43 8.859 8.859 8.731 0.128 18831 2284 1 6 . 1 1 44 44 ILE N N 44 122.662 122.662 122.101 0.561 18831 2285 1 6 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.811 0.189 18831 2286 1 6 . 1 1 44 44 ILE C C 44 175.579 175.579 174.464 1.115 18831 2287 1 6 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.557 -2.247 18831 2288 1 6 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.595 -1.067 18831 2289 1 6 . 1 1 44 44 ILE H H 44 9.206 9.206 8.317 0.889 18831 2290 1 6 . 1 1 45 45 PHE N N 45 124.709 124.709 128.025 -3.316 18831 2291 1 6 . 1 1 45 45 PHE HA H 45 5.238 5.238 5.054 0.184 18831 2292 1 6 . 1 1 45 45 PHE C C 45 174.561 174.561 175.146 -0.585 18831 2293 1 6 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.742 0.107 18831 2294 1 6 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.912 -0.022 18831 2295 1 6 . 1 1 45 45 PHE H H 45 8.828 8.828 8.778 0.050 18831 2296 1 6 . 1 1 46 46 ALA N N 46 132.860 132.860 128.857 4.003 18831 2297 1 6 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.594 0.157 18831 2298 1 6 . 1 1 46 46 ALA C C 46 177.247 177.247 177.133 0.114 18831 2299 1 6 . 1 1 46 46 ALA CA C 46 51.858 51.858 53.033 -1.175 18831 2300 1 6 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.856 -0.971 18831 2301 1 6 . 1 1 46 46 ALA H H 46 9.010 9.010 8.921 0.089 18831 2302 1 6 . 1 1 47 47 GLY N N 47 102.630 102.630 103.308 -0.678 18831 2303 1 6 . 1 1 47 47 GLY C C 47 173.643 173.643 174.811 -1.168 18831 2304 1 6 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.219 -0.516 18831 2305 1 6 . 1 1 47 47 GLY H H 47 8.089 8.089 8.574 -0.485 18831 2306 1 6 . 1 1 48 48 LYS N N 48 122.237 122.237 122.550 -0.313 18831 2307 1 6 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.323 0.344 18831 2308 1 6 . 1 1 48 48 LYS C C 48 174.519 174.519 175.547 -1.028 18831 2309 1 6 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.103 -2.103 18831 2310 1 6 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.190 0.360 18831 2311 1 6 . 1 1 48 48 LYS H H 48 8.028 8.028 7.984 0.044 18831 2312 1 6 . 1 1 49 49 GLN N N 49 123.092 123.092 124.055 -0.963 18831 2313 1 6 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.355 0.142 18831 2314 1 6 . 1 1 49 49 GLN C C 49 175.635 175.635 175.618 0.017 18831 2315 1 6 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.513 -0.123 18831 2316 1 6 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.575 -1.168 18831 2317 1 6 . 1 1 49 49 GLN H H 49 8.643 8.643 8.515 0.128 18831 2318 1 6 . 1 1 50 50 LEU N N 50 125.507 125.507 127.642 -2.135 18831 2319 1 6 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.116 0.037 18831 2320 1 6 . 1 1 50 50 LEU C C 50 176.611 176.611 176.595 0.016 18831 2321 1 6 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.731 -1.160 18831 2322 1 6 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.270 -1.467 18831 2323 1 6 . 1 1 50 50 LEU H H 50 8.544 8.544 7.810 0.734 18831 2324 1 6 . 1 1 51 51 GLU N N 51 123.223 123.223 121.712 1.511 18831 2325 1 6 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.586 0.023 18831 2326 1 6 . 1 1 51 51 GLU C C 51 175.226 175.226 175.339 -0.113 18831 2327 1 6 . 1 1 51 51 GLU CA C 51 55.480 55.480 55.121 0.359 18831 2328 1 6 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.192 -1.892 18831 2329 1 6 . 1 1 51 51 GLU H H 51 8.410 8.410 9.311 -0.901 18831 2330 1 6 . 1 1 52 52 ASP N N 52 120.438 120.438 123.916 -3.478 18831 2331 1 6 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.496 -0.063 18831 2332 1 6 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.915 0.077 18831 2333 1 6 . 1 1 52 52 ASP CB C 52 40.080 40.080 41.145 -1.065 18831 2334 1 6 . 1 1 52 52 ASP H H 52 8.202 8.202 8.675 -0.473 18831 2335 1 6 . 1 1 53 53 GLY C C 53 174.703 174.703 174.098 0.605 18831 2336 1 6 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.321 -0.512 18831 2337 1 6 . 1 1 54 54 ARG N N 54 119.424 119.424 119.042 0.382 18831 2338 1 6 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.780 0.016 18831 2339 1 6 . 1 1 54 54 ARG C C 54 175.226 175.226 175.123 0.103 18831 2340 1 6 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.060 -0.493 18831 2341 1 6 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.776 -1.816 18831 2342 1 6 . 1 1 54 54 ARG H H 54 7.485 7.485 7.637 -0.152 18831 2343 1 6 . 1 1 55 55 THR N N 55 109.146 109.146 111.222 -2.076 18831 2344 1 6 . 1 1 55 55 THR HA H 55 5.330 5.330 4.799 0.531 18831 2345 1 6 . 1 1 55 55 THR C C 55 176.484 176.484 175.950 0.534 18831 2346 1 6 . 1 1 55 55 THR CA C 55 59.151 59.151 59.591 -0.440 18831 2347 1 6 . 1 1 55 55 THR CB C 55 71.868 71.868 71.370 0.498 18831 2348 1 6 . 1 1 55 55 THR H H 55 8.915 8.915 8.252 0.663 18831 2349 1 6 . 1 1 56 56 LEU N N 56 117.771 117.771 119.998 -2.227 18831 2350 1 6 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.252 -0.128 18831 2351 1 6 . 1 1 56 56 LEU C C 56 180.611 180.611 178.602 2.009 18831 2352 1 6 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.091 -0.116 18831 2353 1 6 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.378 -1.602 18831 2354 1 6 . 1 1 56 56 LEU H H 56 8.192 8.192 8.394 -0.202 18831 2355 1 6 . 1 1 57 57 SER N N 57 113.230 113.230 112.429 0.801 18831 2356 1 6 . 1 1 57 57 SER HA H 57 4.323 4.323 4.213 0.110 18831 2357 1 6 . 1 1 57 57 SER C C 57 178.166 178.166 175.386 2.780 18831 2358 1 6 . 1 1 57 57 SER CA C 57 60.523 60.523 60.671 -0.148 18831 2359 1 6 . 1 1 57 57 SER CB C 57 61.940 61.940 62.495 -0.555 18831 2360 1 6 . 1 1 57 57 SER H H 57 8.423 8.423 8.343 0.080 18831 2361 1 6 . 1 1 58 58 ASP N N 58 124.565 124.565 122.185 2.380 18831 2362 1 6 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.509 -0.167 18831 2363 1 6 . 1 1 58 58 ASP C C 58 177.303 177.303 177.080 0.223 18831 2364 1 6 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.089 0.771 18831 2365 1 6 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.745 -0.958 18831 2366 1 6 . 1 1 58 58 ASP H H 58 7.945 7.945 7.557 0.388 18831 2367 1 6 . 1 1 59 59 TYR N N 59 115.843 115.843 116.651 -0.808 18831 2368 1 6 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.530 0.166 18831 2369 1 6 . 1 1 59 59 TYR C C 59 174.590 174.590 175.608 -1.018 18831 2370 1 6 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.560 -0.815 18831 2371 1 6 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.633 0.797 18831 2372 1 6 . 1 1 59 59 TYR H H 59 7.311 7.311 7.304 0.007 18831 2373 1 6 . 1 1 60 60 ASN N N 60 115.827 115.827 115.740 0.087 18831 2374 1 6 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.359 0.048 18831 2375 1 6 . 1 1 60 60 ASN C C 60 174.165 174.165 174.629 -0.464 18831 2376 1 6 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.084 -0.500 18831 2377 1 6 . 1 1 60 60 ASN CB C 60 36.726 36.726 37.349 -0.623 18831 2378 1 6 . 1 1 60 60 ASN H H 60 8.161 8.161 7.783 0.378 18831 2379 1 6 . 1 1 61 61 ILE N N 61 118.960 118.960 120.321 -1.361 18831 2380 1 6 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.554 -0.151 18831 2381 1 6 . 1 1 61 61 ILE C C 61 174.378 174.378 175.380 -1.002 18831 2382 1 6 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.593 -0.666 18831 2383 1 6 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.498 -1.239 18831 2384 1 6 . 1 1 61 61 ILE H H 61 7.211 7.211 7.814 -0.603 18831 2385 1 6 . 1 1 62 62 GLN N N 62 124.901 124.901 126.157 -1.256 18831 2386 1 6 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.572 0.016 18831 2387 1 6 . 1 1 62 62 GLN C C 62 175.611 175.611 175.247 0.364 18831 2388 1 6 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.938 -0.828 18831 2389 1 6 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.924 0.169 18831 2390 1 6 . 1 1 62 62 GLN H H 62 7.665 7.665 7.859 -0.194 18831 2391 1 6 . 1 1 63 63 LYS N N 63 120.318 120.318 119.601 0.717 18831 2392 1 6 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.131 -0.097 18831 2393 1 6 . 1 1 63 63 LYS C C 63 175.880 175.880 176.872 -0.992 18831 2394 1 6 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.690 0.770 18831 2395 1 6 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.015 -1.155 18831 2396 1 6 . 1 1 63 63 LYS H H 63 8.473 8.473 8.198 0.275 18831 2397 1 6 . 1 1 64 64 GLU N N 64 114.842 114.842 119.235 -4.393 18831 2398 1 6 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.492 0.934 18831 2399 1 6 . 1 1 64 64 GLU C C 64 175.202 175.202 175.530 -0.328 18831 2400 1 6 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.677 1.137 18831 2401 1 6 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.683 -2.232 18831 2402 1 6 . 1 1 64 64 GLU H H 64 9.299 9.299 8.013 1.286 18831 2403 1 6 . 1 1 65 65 SER N N 65 115.119 115.119 113.855 1.264 18831 2404 1 6 . 1 1 65 65 SER HA H 65 4.712 4.712 4.571 0.141 18831 2405 1 6 . 1 1 65 65 SER C C 65 171.974 171.974 174.725 -2.751 18831 2406 1 6 . 1 1 65 65 SER CA C 65 60.390 60.390 58.954 1.436 18831 2407 1 6 . 1 1 65 65 SER CB C 65 64.259 64.259 63.682 0.577 18831 2408 1 6 . 1 1 65 65 SER H H 65 7.778 7.778 7.478 0.300 18831 2409 1 6 . 1 1 66 66 THR N N 66 117.698 117.698 123.043 -5.345 18831 2410 1 6 . 1 1 66 66 THR HA H 66 5.342 5.342 4.743 0.599 18831 2411 1 6 . 1 1 66 66 THR C C 66 173.567 173.567 174.390 -0.823 18831 2412 1 6 . 1 1 66 66 THR CA C 66 61.850 61.850 62.980 -1.130 18831 2413 1 6 . 1 1 66 66 THR CB C 66 69.772 69.772 69.269 0.503 18831 2414 1 6 . 1 1 66 66 THR H H 66 8.764 8.764 8.655 0.109 18831 2415 1 6 . 1 1 67 67 LEU N N 67 127.655 127.655 126.590 1.065 18831 2416 1 6 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.811 0.331 18831 2417 1 6 . 1 1 67 67 LEU C C 67 175.119 175.119 176.050 -0.931 18831 2418 1 6 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.297 -0.077 18831 2419 1 6 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.530 0.269 18831 2420 1 6 . 1 1 67 67 LEU H H 67 9.400 9.400 7.644 1.756 18831 2421 1 6 . 1 1 68 68 HIS N N 68 120.510 120.510 116.801 3.709 18831 2422 1 6 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.877 0.546 18831 2423 1 6 . 1 1 68 68 HIS C C 68 174.246 174.246 174.202 0.044 18831 2424 1 6 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.755 -0.673 18831 2425 1 6 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.910 0.400 18831 2426 1 6 . 1 1 68 68 HIS H H 68 9.128 9.128 8.431 0.697 18831 2427 1 6 . 1 1 69 69 ILE N N 69 120.349 120.349 126.660 -6.311 18831 2428 1 6 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.690 0.483 18831 2429 1 6 . 1 1 69 69 ILE C C 69 174.800 174.800 175.595 -0.795 18831 2430 1 6 . 1 1 69 69 ILE CA C 69 58.474 58.474 60.565 -2.091 18831 2431 1 6 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.808 1.284 18831 2432 1 6 . 1 1 69 69 ILE H H 69 8.369 8.369 7.921 0.448 18831 2433 1 6 . 1 1 70 70 VAL N N 70 126.551 126.551 123.158 3.393 18831 2434 1 6 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.546 -0.179 18831 2435 1 6 . 1 1 70 70 VAL C C 70 174.467 174.467 174.627 -0.160 18831 2436 1 6 . 1 1 70 70 VAL CA C 70 60.299 60.299 60.530 -0.231 18831 2437 1 6 . 1 1 70 70 VAL CB C 70 33.550 33.550 34.006 -0.456 18831 2438 1 6 . 1 1 70 70 VAL H H 70 8.944 8.944 8.197 0.747 18831 2439 1 6 . 1 1 71 71 TRP N N 71 125.438 125.438 128.360 -2.922 18831 2440 1 6 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.954 0.154 18831 2441 1 6 . 1 1 71 71 TRP C C 71 175.797 175.797 174.715 1.082 18831 2442 1 6 . 1 1 71 71 TRP CA C 71 55.745 55.745 57.125 -1.380 18831 2443 1 6 . 1 1 71 71 TRP CB C 71 30.099 30.099 30.636 -0.537 18831 2444 1 6 . 1 1 71 71 TRP H H 71 8.425 8.425 8.365 0.060 18831 2445 1 6 . 1 1 72 72 ARG N N 72 125.700 125.700 128.540 -2.840 18831 2446 1 6 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.043 0.240 18831 2447 1 6 . 1 1 72 72 ARG C C 72 174.661 174.661 174.217 0.444 18831 2448 1 6 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.678 -0.621 18831 2449 1 6 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.851 -1.291 18831 2450 1 6 . 1 1 72 72 ARG H H 72 8.261 8.261 8.366 -0.105 18831 2451 1 6 . 1 1 73 73 LEU N N 73 123.370 123.370 126.526 -3.156 18831 2452 1 6 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.358 -0.138 18831 2453 1 6 . 1 1 73 73 LEU C C 73 177.072 177.072 176.789 0.283 18831 2454 1 6 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.570 0.060 18831 2455 1 6 . 1 1 73 73 LEU CB C 73 41.642 41.642 41.757 -0.115 18831 2456 1 6 . 1 1 73 73 LEU H H 73 7.901 7.901 8.174 -0.273 18831 2457 1 6 . 1 1 74 74 ARG N N 74 121.200 121.200 124.588 -3.388 18831 2458 1 6 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.412 -0.125 18831 2459 1 6 . 1 1 74 74 ARG C C 74 176.609 176.609 176.767 -0.158 18831 2460 1 6 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.044 -0.274 18831 2461 1 6 . 1 1 74 74 ARG CB C 74 29.900 29.900 31.355 -1.455 18831 2462 1 6 . 1 1 74 74 ARG H H 74 8.211 8.211 8.578 -0.367 18831 2463 1 6 . 1 1 75 75 GLY N N 75 110.833 110.833 110.404 0.429 18831 2464 1 6 . 1 1 75 75 GLY C C 75 173.520 173.520 174.451 -0.931 18831 2465 1 6 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.415 0.166 18831 2466 1 6 . 1 1 75 75 GLY H H 75 8.434 8.434 8.544 -0.110 18831 2467 1 7 . 1 1 2 2 GLN N N 2 121.114 121.114 119.806 1.308 18831 2468 1 7 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.028 0.336 18831 2469 1 7 . 1 1 2 2 GLN C C 2 175.892 175.892 174.710 1.182 18831 2470 1 7 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.362 -0.534 18831 2471 1 7 . 1 1 2 2 GLN CB C 2 29.948 29.948 30.765 -0.817 18831 2472 1 7 . 1 1 2 2 GLN H H 2 8.384 8.384 8.022 0.362 18831 2473 1 7 . 1 1 3 3 ILE N N 3 114.990 114.990 112.318 2.672 18831 2474 1 7 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.251 0.059 18831 2475 1 7 . 1 1 3 3 ILE C C 3 172.645 172.645 174.347 -1.702 18831 2476 1 7 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.724 -0.949 18831 2477 1 7 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.649 -0.285 18831 2478 1 7 . 1 1 3 3 ILE H H 3 8.392 8.392 7.920 0.471 18831 2479 1 7 . 1 1 4 4 PHE N N 4 118.863 118.863 121.943 -3.080 18831 2480 1 7 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.391 0.157 18831 2481 1 7 . 1 1 4 4 PHE C C 4 175.076 175.076 176.474 -1.398 18831 2482 1 7 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.127 0.933 18831 2483 1 7 . 1 1 4 4 PHE CB C 4 40.410 40.410 38.754 1.656 18831 2484 1 7 . 1 1 4 4 PHE H H 4 8.731 8.731 7.837 0.894 18831 2485 1 7 . 1 1 5 5 VAL N N 5 119.550 119.550 118.577 0.973 18831 2486 1 7 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.382 0.673 18831 2487 1 7 . 1 1 5 5 VAL C C 5 174.974 174.974 175.108 -0.134 18831 2488 1 7 . 1 1 5 5 VAL CA C 5 59.904 59.904 61.863 -1.959 18831 2489 1 7 . 1 1 5 5 VAL CB C 5 33.375 33.375 32.078 1.297 18831 2490 1 7 . 1 1 5 5 VAL H H 5 9.155 9.155 9.205 -0.050 18831 2491 1 7 . 1 1 6 6 LYS N N 6 129.015 129.015 126.723 2.292 18831 2492 1 7 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.699 0.278 18831 2493 1 7 . 1 1 6 6 LYS C C 6 176.045 176.045 176.776 -0.731 18831 2494 1 7 . 1 1 6 6 LYS CA C 6 54.697 54.697 55.149 -0.452 18831 2495 1 7 . 1 1 6 6 LYS CB C 6 34.391 34.391 34.210 0.181 18831 2496 1 7 . 1 1 6 6 LYS H H 6 9.078 9.078 8.046 1.032 18831 2497 1 7 . 1 1 7 7 GLY N N 7 111.500 111.500 110.609 0.891 18831 2498 1 7 . 1 1 7 7 GLY C C 7 175.552 175.552 175.116 0.436 18831 2499 1 7 . 1 1 7 7 GLY CA C 7 43.924 43.924 44.086 -0.162 18831 2500 1 7 . 1 1 7 7 GLY H H 7 8.649 8.649 8.386 0.263 18831 2501 1 7 . 1 1 8 8 LEU N N 8 120.313 120.313 118.892 1.421 18831 2502 1 7 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.098 0.205 18831 2503 1 7 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.130 -0.632 18831 2504 1 7 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.600 0.179 18831 2505 1 7 . 1 1 8 8 LEU H H 8 8.562 8.562 8.565 -0.003 18831 2506 1 7 . 1 1 9 9 THR HA H 9 4.564 4.564 4.382 0.182 18831 2507 1 7 . 1 1 9 9 THR C C 9 175.093 175.093 174.968 0.125 18831 2508 1 7 . 1 1 9 9 THR CA C 9 60.451 60.451 61.577 -1.126 18831 2509 1 7 . 1 1 9 9 THR CB C 9 69.020 69.020 69.688 -0.668 18831 2510 1 7 . 1 1 10 10 GLY N N 10 109.154 109.154 111.399 -2.245 18831 2511 1 7 . 1 1 10 10 GLY C C 10 174.039 174.039 174.359 -0.320 18831 2512 1 7 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.673 0.163 18831 2513 1 7 . 1 1 10 10 GLY H H 10 8.123 8.123 8.001 0.122 18831 2514 1 7 . 1 1 11 11 LYS N N 11 120.968 120.968 121.973 -1.005 18831 2515 1 7 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.247 0.553 18831 2516 1 7 . 1 1 11 11 LYS CA C 11 55.640 55.640 56.637 -0.997 18831 2517 1 7 . 1 1 11 11 LYS CB C 11 32.390 32.390 33.077 -0.687 18831 2518 1 7 . 1 1 11 11 LYS H H 11 8.021 8.021 8.327 -0.306 18831 2519 1 7 . 1 1 12 12 THR HA H 12 5.006 5.006 4.626 0.380 18831 2520 1 7 . 1 1 12 12 THR C C 12 174.362 174.362 174.820 -0.458 18831 2521 1 7 . 1 1 12 12 THR CA C 12 61.969 61.969 62.609 -0.640 18831 2522 1 7 . 1 1 12 12 THR CB C 12 61.769 61.769 69.351 -7.582 18831 2523 1 7 . 1 1 13 13 THR N N 13 124.317 124.317 121.386 2.931 18831 2524 1 7 . 1 1 13 13 THR HA H 13 4.721 4.721 4.705 0.016 18831 2525 1 7 . 1 1 13 13 THR C C 13 173.104 173.104 173.057 0.047 18831 2526 1 7 . 1 1 13 13 THR CA C 13 61.786 61.786 61.418 0.368 18831 2527 1 7 . 1 1 13 13 THR CB C 13 70.179 70.179 72.388 -2.209 18831 2528 1 7 . 1 1 13 13 THR H H 13 9.028 9.028 8.274 0.754 18831 2529 1 7 . 1 1 14 14 THR N N 14 122.168 122.168 115.603 6.565 18831 2530 1 7 . 1 1 14 14 THR HA H 14 5.055 5.055 5.493 -0.438 18831 2531 1 7 . 1 1 14 14 THR C C 14 173.274 173.274 173.971 -0.697 18831 2532 1 7 . 1 1 14 14 THR CA C 14 61.284 61.284 60.248 1.036 18831 2533 1 7 . 1 1 14 14 THR CB C 14 69.510 69.510 70.524 -1.014 18831 2534 1 7 . 1 1 14 14 THR H H 14 8.731 8.731 8.334 0.397 18831 2535 1 7 . 1 1 15 15 LEU N N 15 125.117 125.117 123.572 1.545 18831 2536 1 7 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.682 0.090 18831 2537 1 7 . 1 1 15 15 LEU C C 15 174.702 174.702 175.541 -0.839 18831 2538 1 7 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.898 -1.447 18831 2539 1 7 . 1 1 15 15 LEU CB C 15 46.271 46.271 45.958 0.313 18831 2540 1 7 . 1 1 15 15 LEU H H 15 8.912 8.912 8.639 0.273 18831 2541 1 7 . 1 1 16 16 GLU N N 16 122.278 122.278 123.944 -1.666 18831 2542 1 7 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.509 0.485 18831 2543 1 7 . 1 1 16 16 GLU C C 16 175.926 175.926 175.430 0.496 18831 2544 1 7 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.415 -1.355 18831 2545 1 7 . 1 1 16 16 GLU CB C 16 28.484 28.484 30.045 -1.561 18831 2546 1 7 . 1 1 16 16 GLU H H 16 8.224 8.224 8.653 -0.429 18831 2547 1 7 . 1 1 17 17 VAL N N 17 116.959 116.959 121.370 -4.411 18831 2548 1 7 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.778 -0.002 18831 2549 1 7 . 1 1 17 17 VAL C C 17 173.767 173.767 173.977 -0.210 18831 2550 1 7 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.718 -1.513 18831 2551 1 7 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.763 1.106 18831 2552 1 7 . 1 1 17 17 VAL H H 17 8.881 8.881 7.848 1.033 18831 2553 1 7 . 1 1 18 18 GLU N N 18 118.016 118.016 119.017 -1.001 18831 2554 1 7 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.710 0.352 18831 2555 1 7 . 1 1 18 18 GLU CA C 18 52.483 52.483 53.161 -0.678 18831 2556 1 7 . 1 1 18 18 GLU CB C 18 30.593 30.593 31.689 -1.096 18831 2557 1 7 . 1 1 18 18 GLU H H 18 8.492 8.492 8.545 -0.053 18831 2558 1 7 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.122 0.060 18831 2559 1 7 . 1 1 19 19 PRO C C 19 175.297 175.297 177.852 -2.555 18831 2560 1 7 . 1 1 19 19 PRO CA C 19 64.890 64.890 66.033 -1.143 18831 2561 1 7 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.924 -0.808 18831 2562 1 7 . 1 1 20 20 SER N N 20 103.828 103.828 107.705 -3.877 18831 2563 1 7 . 1 1 20 20 SER HA H 20 4.437 4.437 4.295 0.142 18831 2564 1 7 . 1 1 20 20 SER C C 20 174.447 174.447 174.791 -0.344 18831 2565 1 7 . 1 1 20 20 SER CA C 20 56.743 56.743 59.433 -2.690 18831 2566 1 7 . 1 1 20 20 SER CB C 20 62.880 62.880 62.809 0.071 18831 2567 1 7 . 1 1 20 20 SER H H 20 7.103 7.103 7.941 -0.838 18831 2568 1 7 . 1 1 21 21 ASP N N 21 123.913 123.913 125.429 -1.516 18831 2569 1 7 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.662 0.076 18831 2570 1 7 . 1 1 21 21 ASP C C 21 176.402 176.402 176.022 0.380 18831 2571 1 7 . 1 1 21 21 ASP CA C 21 55.390 55.390 55.277 0.113 18831 2572 1 7 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.212 -0.842 18831 2573 1 7 . 1 1 21 21 ASP H H 21 8.045 8.045 8.115 -0.070 18831 2574 1 7 . 1 1 22 22 THR N N 22 109.500 109.500 113.665 -4.165 18831 2575 1 7 . 1 1 22 22 THR HA H 22 4.938 4.938 4.376 0.562 18831 2576 1 7 . 1 1 22 22 THR C C 22 176.555 176.555 176.253 0.302 18831 2577 1 7 . 1 1 22 22 THR CA C 22 59.079 59.079 60.697 -1.618 18831 2578 1 7 . 1 1 22 22 THR CB C 22 70.433 70.433 71.084 -0.651 18831 2579 1 7 . 1 1 22 22 THR H H 22 7.967 7.967 7.915 0.052 18831 2580 1 7 . 1 1 23 23 ILE N N 23 121.579 121.579 120.695 0.884 18831 2581 1 7 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.795 -0.103 18831 2582 1 7 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.405 -0.586 18831 2583 1 7 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.361 -2.441 18831 2584 1 7 . 1 1 23 23 ILE H H 23 8.628 8.628 8.542 0.086 18831 2585 1 7 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.865 0.089 18831 2586 1 7 . 1 1 24 24 GLU C C 24 179.002 179.002 178.708 0.294 18831 2587 1 7 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.000 0.330 18831 2588 1 7 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.218 -1.278 18831 2589 1 7 . 1 1 25 25 ASN N N 25 121.468 121.468 117.859 3.609 18831 2590 1 7 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.518 0.102 18831 2591 1 7 . 1 1 25 25 ASN C C 25 178.322 178.322 177.722 0.600 18831 2592 1 7 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.902 -0.658 18831 2593 1 7 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.338 -0.578 18831 2594 1 7 . 1 1 25 25 ASN H H 25 7.953 7.953 7.561 0.392 18831 2595 1 7 . 1 1 26 26 VAL N N 26 122.536 122.536 121.045 1.491 18831 2596 1 7 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.474 0.010 18831 2597 1 7 . 1 1 26 26 VAL C C 26 177.812 177.812 178.106 -0.294 18831 2598 1 7 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.838 0.208 18831 2599 1 7 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.620 -1.320 18831 2600 1 7 . 1 1 26 26 VAL H H 26 8.312 8.312 7.631 0.681 18831 2601 1 7 . 1 1 27 27 LYS N N 27 119.303 119.303 119.038 0.265 18831 2602 1 7 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.977 0.610 18831 2603 1 7 . 1 1 27 27 LYS C C 27 180.277 180.277 178.820 1.457 18831 2604 1 7 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.722 -0.839 18831 2605 1 7 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.111 0.992 18831 2606 1 7 . 1 1 27 27 LYS H H 27 8.742 8.742 8.477 0.265 18831 2607 1 7 . 1 1 28 28 ALA N N 28 123.505 123.505 122.144 1.361 18831 2608 1 7 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.159 0.071 18831 2609 1 7 . 1 1 28 28 ALA C C 28 180.215 180.215 178.806 1.409 18831 2610 1 7 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.588 0.252 18831 2611 1 7 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.443 -1.347 18831 2612 1 7 . 1 1 28 28 ALA H H 28 7.877 7.877 7.630 0.247 18831 2613 1 7 . 1 1 29 29 LYS N N 29 120.598 120.598 117.260 3.338 18831 2614 1 7 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.304 -0.054 18831 2615 1 7 . 1 1 29 29 LYS C C 29 180.229 180.229 179.504 0.725 18831 2616 1 7 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.451 0.691 18831 2617 1 7 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.635 -0.115 18831 2618 1 7 . 1 1 29 29 LYS H H 29 7.927 7.927 7.855 0.072 18831 2619 1 7 . 1 1 30 30 ILE N N 30 121.068 121.068 121.307 -0.239 18831 2620 1 7 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.685 -0.105 18831 2621 1 7 . 1 1 30 30 ILE C C 30 180.286 180.286 177.186 3.100 18831 2622 1 7 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.096 0.281 18831 2623 1 7 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.851 -1.411 18831 2624 1 7 . 1 1 30 30 ILE H H 30 8.614 8.614 8.261 0.353 18831 2625 1 7 . 1 1 31 31 GLN N N 31 126.930 126.930 118.875 8.055 18831 2626 1 7 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.949 0.048 18831 2627 1 7 . 1 1 31 31 GLN C C 31 178.844 178.844 177.147 1.697 18831 2628 1 7 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.382 0.804 18831 2629 1 7 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.155 -1.055 18831 2630 1 7 . 1 1 31 31 GLN H H 31 8.756 8.756 8.217 0.539 18831 2631 1 7 . 1 1 32 32 ASP N N 32 120.549 120.549 118.589 1.960 18831 2632 1 7 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.612 -0.198 18831 2633 1 7 . 1 1 32 32 ASP C C 32 177.501 177.501 177.840 -0.339 18831 2634 1 7 . 1 1 32 32 ASP CA C 32 57.031 57.031 56.170 0.861 18831 2635 1 7 . 1 1 32 32 ASP CB C 32 40.370 40.370 40.967 -0.597 18831 2636 1 7 . 1 1 32 32 ASP H H 32 8.033 8.033 7.754 0.279 18831 2637 1 7 . 1 1 33 33 LYS N N 33 113.834 113.834 118.556 -4.722 18831 2638 1 7 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.320 0.013 18831 2639 1 7 . 1 1 33 33 LYS C C 33 178.038 178.038 178.021 0.017 18831 2640 1 7 . 1 1 33 33 LYS CA C 33 56.860 56.860 57.682 -0.822 18831 2641 1 7 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.377 -0.017 18831 2642 1 7 . 1 1 33 33 LYS H H 33 7.386 7.386 7.966 -0.580 18831 2643 1 7 . 1 1 34 34 THR N N 34 106.465 106.465 108.804 -2.339 18831 2644 1 7 . 1 1 34 34 THR HA H 34 4.718 4.718 4.332 0.386 18831 2645 1 7 . 1 1 34 34 THR C C 34 175.819 175.819 175.640 0.179 18831 2646 1 7 . 1 1 34 34 THR CA C 34 62.179 62.179 62.203 -0.024 18831 2647 1 7 . 1 1 34 34 THR CB C 34 72.477 72.477 70.275 2.202 18831 2648 1 7 . 1 1 34 34 THR H H 34 8.263 8.263 8.063 0.200 18831 2649 1 7 . 1 1 35 35 GLY N N 35 112.744 112.744 113.039 -0.295 18831 2650 1 7 . 1 1 35 35 GLY C C 35 174.166 174.166 173.385 0.781 18831 2651 1 7 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.702 -1.096 18831 2652 1 7 . 1 1 35 35 GLY H H 35 8.810 8.810 8.187 0.623 18831 2653 1 7 . 1 1 36 36 LEU N N 36 125.200 125.200 119.482 5.718 18831 2654 1 7 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.794 -0.259 18831 2655 1 7 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.172 0.912 18831 2656 1 7 . 1 1 36 36 LEU CB C 36 42.445 42.445 42.795 -0.350 18831 2657 1 7 . 1 1 36 36 LEU H H 36 7.614 7.614 7.733 -0.119 18831 2658 1 7 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.633 0.031 18831 2659 1 7 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.835 -0.935 18831 2660 1 7 . 1 1 37 37 PRO CB C 37 30.870 30.870 30.997 -0.127 18831 2661 1 7 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.671 -0.521 18831 2662 1 7 . 1 1 38 38 PRO C C 38 178.123 178.123 177.744 0.379 18831 2663 1 7 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.082 0.519 18831 2664 1 7 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.726 0.674 18831 2665 1 7 . 1 1 39 39 ASP N N 39 113.380 113.380 115.952 -2.572 18831 2666 1 7 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.456 0.021 18831 2667 1 7 . 1 1 39 39 ASP C C 39 176.823 176.823 176.407 0.416 18831 2668 1 7 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.040 0.010 18831 2669 1 7 . 1 1 39 39 ASP CB C 39 39.150 39.150 38.650 0.500 18831 2670 1 7 . 1 1 39 39 ASP H H 39 8.518 8.518 8.637 -0.119 18831 2671 1 7 . 1 1 40 40 GLN N N 40 116.933 116.933 116.152 0.781 18831 2672 1 7 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.583 -0.038 18831 2673 1 7 . 1 1 40 40 GLN C C 40 174.900 174.900 174.660 0.240 18831 2674 1 7 . 1 1 40 40 GLN CA C 40 54.940 54.940 55.003 -0.063 18831 2675 1 7 . 1 1 40 40 GLN CB C 40 29.160 29.160 30.645 -1.485 18831 2676 1 7 . 1 1 40 40 GLN H H 40 7.864 7.864 7.456 0.408 18831 2677 1 7 . 1 1 41 41 GLN N N 41 118.389 118.389 119.385 -0.996 18831 2678 1 7 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.623 -0.242 18831 2679 1 7 . 1 1 41 41 GLN C C 41 175.848 175.848 174.940 0.908 18831 2680 1 7 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.077 0.199 18831 2681 1 7 . 1 1 41 41 GLN CB C 41 30.840 30.840 30.606 0.234 18831 2682 1 7 . 1 1 41 41 GLN H H 41 7.446 7.446 7.655 -0.209 18831 2683 1 7 . 1 1 42 42 ARG N N 42 123.499 123.499 124.416 -0.917 18831 2684 1 7 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.586 -0.025 18831 2685 1 7 . 1 1 42 42 ARG C C 42 173.812 173.812 173.632 0.180 18831 2686 1 7 . 1 1 42 42 ARG CA C 42 54.933 54.933 56.157 -1.224 18831 2687 1 7 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.883 -2.076 18831 2688 1 7 . 1 1 42 42 ARG H H 42 8.408 8.408 8.741 -0.333 18831 2689 1 7 . 1 1 43 43 LEU N N 43 124.567 124.567 126.126 -1.559 18831 2690 1 7 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.164 0.197 18831 2691 1 7 . 1 1 43 43 LEU C C 43 175.353 175.353 175.424 -0.071 18831 2692 1 7 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.533 -0.960 18831 2693 1 7 . 1 1 43 43 LEU CB C 43 44.714 44.714 45.020 -0.306 18831 2694 1 7 . 1 1 43 43 LEU H H 43 8.859 8.859 8.721 0.138 18831 2695 1 7 . 1 1 44 44 ILE N N 44 122.662 122.662 121.790 0.872 18831 2696 1 7 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.802 0.198 18831 2697 1 7 . 1 1 44 44 ILE C C 44 175.579 175.579 174.345 1.234 18831 2698 1 7 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.570 -2.260 18831 2699 1 7 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.608 -1.080 18831 2700 1 7 . 1 1 44 44 ILE H H 44 9.206 9.206 8.127 1.079 18831 2701 1 7 . 1 1 45 45 PHE N N 45 124.709 124.709 128.170 -3.461 18831 2702 1 7 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.899 0.339 18831 2703 1 7 . 1 1 45 45 PHE C C 45 174.561 174.561 174.923 -0.362 18831 2704 1 7 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.559 0.290 18831 2705 1 7 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.817 0.073 18831 2706 1 7 . 1 1 45 45 PHE H H 45 8.828 8.828 8.869 -0.041 18831 2707 1 7 . 1 1 46 46 ALA N N 46 132.860 132.860 129.319 3.541 18831 2708 1 7 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.618 0.133 18831 2709 1 7 . 1 1 46 46 ALA C C 46 177.247 177.247 177.266 -0.019 18831 2710 1 7 . 1 1 46 46 ALA CA C 46 51.858 51.858 52.735 -0.877 18831 2711 1 7 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.407 -0.522 18831 2712 1 7 . 1 1 46 46 ALA H H 46 9.010 9.010 8.852 0.158 18831 2713 1 7 . 1 1 47 47 GLY N N 47 102.630 102.630 104.065 -1.435 18831 2714 1 7 . 1 1 47 47 GLY C C 47 173.643 173.643 174.889 -1.246 18831 2715 1 7 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.336 -0.633 18831 2716 1 7 . 1 1 47 47 GLY H H 47 8.089 8.089 8.468 -0.379 18831 2717 1 7 . 1 1 48 48 LYS N N 48 122.237 122.237 122.962 -0.725 18831 2718 1 7 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.301 0.366 18831 2719 1 7 . 1 1 48 48 LYS C C 48 174.519 174.519 175.576 -1.057 18831 2720 1 7 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.379 -2.378 18831 2721 1 7 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.444 0.106 18831 2722 1 7 . 1 1 48 48 LYS H H 48 8.028 8.028 7.759 0.269 18831 2723 1 7 . 1 1 49 49 GLN N N 49 123.092 123.092 124.362 -1.270 18831 2724 1 7 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.388 0.109 18831 2725 1 7 . 1 1 49 49 GLN C C 49 175.635 175.635 175.427 0.208 18831 2726 1 7 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.780 -0.390 18831 2727 1 7 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.664 -1.257 18831 2728 1 7 . 1 1 49 49 GLN H H 49 8.643 8.643 8.497 0.146 18831 2729 1 7 . 1 1 50 50 LEU N N 50 125.507 125.507 127.325 -1.818 18831 2730 1 7 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.034 0.119 18831 2731 1 7 . 1 1 50 50 LEU C C 50 176.611 176.611 176.138 0.473 18831 2732 1 7 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.540 -0.969 18831 2733 1 7 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.568 -1.765 18831 2734 1 7 . 1 1 50 50 LEU H H 50 8.544 8.544 8.018 0.526 18831 2735 1 7 . 1 1 51 51 GLU N N 51 123.223 123.223 120.630 2.593 18831 2736 1 7 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.580 0.029 18831 2737 1 7 . 1 1 51 51 GLU C C 51 175.226 175.226 174.888 0.338 18831 2738 1 7 . 1 1 51 51 GLU CA C 51 55.480 55.480 55.303 0.177 18831 2739 1 7 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.495 -2.195 18831 2740 1 7 . 1 1 51 51 GLU H H 51 8.410 8.410 9.147 -0.737 18831 2741 1 7 . 1 1 52 52 ASP N N 52 120.438 120.438 124.015 -3.577 18831 2742 1 7 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.442 -0.009 18831 2743 1 7 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.580 0.412 18831 2744 1 7 . 1 1 52 52 ASP CB C 52 40.080 40.080 40.034 0.046 18831 2745 1 7 . 1 1 52 52 ASP H H 52 8.202 8.202 8.698 -0.496 18831 2746 1 7 . 1 1 53 53 GLY C C 53 174.703 174.703 173.513 1.190 18831 2747 1 7 . 1 1 53 53 GLY CA C 53 44.809 44.809 44.947 -0.138 18831 2748 1 7 . 1 1 54 54 ARG N N 54 119.424 119.424 120.900 -1.476 18831 2749 1 7 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.752 0.044 18831 2750 1 7 . 1 1 54 54 ARG C C 54 175.226 175.226 175.026 0.200 18831 2751 1 7 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.342 -0.775 18831 2752 1 7 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.525 -1.565 18831 2753 1 7 . 1 1 54 54 ARG H H 54 7.485 7.485 7.747 -0.262 18831 2754 1 7 . 1 1 55 55 THR N N 55 109.146 109.146 112.262 -3.116 18831 2755 1 7 . 1 1 55 55 THR HA H 55 5.330 5.330 4.679 0.651 18831 2756 1 7 . 1 1 55 55 THR C C 55 176.484 176.484 175.634 0.850 18831 2757 1 7 . 1 1 55 55 THR CA C 55 59.151 59.151 59.870 -0.719 18831 2758 1 7 . 1 1 55 55 THR CB C 55 71.868 71.868 70.956 0.912 18831 2759 1 7 . 1 1 55 55 THR H H 55 8.915 8.915 8.215 0.700 18831 2760 1 7 . 1 1 56 56 LEU N N 56 117.771 117.771 120.316 -2.545 18831 2761 1 7 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.183 -0.059 18831 2762 1 7 . 1 1 56 56 LEU C C 56 180.611 180.611 178.830 1.781 18831 2763 1 7 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.439 -0.464 18831 2764 1 7 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.309 -1.533 18831 2765 1 7 . 1 1 56 56 LEU H H 56 8.192 8.192 8.505 -0.313 18831 2766 1 7 . 1 1 57 57 SER N N 57 113.230 113.230 111.889 1.341 18831 2767 1 7 . 1 1 57 57 SER HA H 57 4.323 4.323 4.206 0.117 18831 2768 1 7 . 1 1 57 57 SER C C 57 178.166 178.166 175.870 2.296 18831 2769 1 7 . 1 1 57 57 SER CA C 57 60.523 60.523 60.623 -0.101 18831 2770 1 7 . 1 1 57 57 SER CB C 57 61.940 61.940 62.483 -0.542 18831 2771 1 7 . 1 1 57 57 SER H H 57 8.423 8.423 8.049 0.374 18831 2772 1 7 . 1 1 58 58 ASP N N 58 124.565 124.565 121.743 2.822 18831 2773 1 7 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.462 -0.120 18831 2774 1 7 . 1 1 58 58 ASP C C 58 177.303 177.303 177.330 -0.027 18831 2775 1 7 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.235 0.625 18831 2776 1 7 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.742 -0.955 18831 2777 1 7 . 1 1 58 58 ASP H H 58 7.945 7.945 7.491 0.454 18831 2778 1 7 . 1 1 59 59 TYR N N 59 115.843 115.843 117.388 -1.545 18831 2779 1 7 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.385 0.311 18831 2780 1 7 . 1 1 59 59 TYR C C 59 174.590 174.590 175.531 -0.941 18831 2781 1 7 . 1 1 59 59 TYR CA C 59 57.745 57.745 59.530 -1.785 18831 2782 1 7 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.242 1.188 18831 2783 1 7 . 1 1 59 59 TYR H H 59 7.311 7.311 7.445 -0.134 18831 2784 1 7 . 1 1 60 60 ASN N N 60 115.827 115.827 112.761 3.066 18831 2785 1 7 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.319 0.088 18831 2786 1 7 . 1 1 60 60 ASN C C 60 174.165 174.165 174.556 -0.391 18831 2787 1 7 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.402 -0.819 18831 2788 1 7 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.349 0.377 18831 2789 1 7 . 1 1 60 60 ASN H H 60 8.161 8.161 7.721 0.440 18831 2790 1 7 . 1 1 61 61 ILE N N 61 118.960 118.960 120.456 -1.496 18831 2791 1 7 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.500 -0.097 18831 2792 1 7 . 1 1 61 61 ILE C C 61 174.378 174.378 175.154 -0.776 18831 2793 1 7 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.604 -0.678 18831 2794 1 7 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.684 -1.425 18831 2795 1 7 . 1 1 61 61 ILE H H 61 7.211 7.211 7.962 -0.751 18831 2796 1 7 . 1 1 62 62 GLN N N 62 124.901 124.901 126.128 -1.227 18831 2797 1 7 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.538 0.050 18831 2798 1 7 . 1 1 62 62 GLN C C 62 175.611 175.611 174.856 0.755 18831 2799 1 7 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.889 -0.779 18831 2800 1 7 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.981 0.112 18831 2801 1 7 . 1 1 62 62 GLN H H 62 7.665 7.665 7.974 -0.309 18831 2802 1 7 . 1 1 63 63 LYS N N 63 120.318 120.318 119.836 0.482 18831 2803 1 7 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.288 -0.254 18831 2804 1 7 . 1 1 63 63 LYS C C 63 175.880 175.880 177.243 -1.363 18831 2805 1 7 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.432 1.028 18831 2806 1 7 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.096 -1.236 18831 2807 1 7 . 1 1 63 63 LYS H H 63 8.473 8.473 8.208 0.265 18831 2808 1 7 . 1 1 64 64 GLU N N 64 114.842 114.842 118.366 -3.524 18831 2809 1 7 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.456 0.970 18831 2810 1 7 . 1 1 64 64 GLU C C 64 175.202 175.202 175.284 -0.082 18831 2811 1 7 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.671 1.143 18831 2812 1 7 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.408 -1.957 18831 2813 1 7 . 1 1 64 64 GLU H H 64 9.299 9.299 7.962 1.337 18831 2814 1 7 . 1 1 65 65 SER N N 65 115.119 115.119 113.890 1.229 18831 2815 1 7 . 1 1 65 65 SER HA H 65 4.712 4.712 4.431 0.281 18831 2816 1 7 . 1 1 65 65 SER C C 65 171.974 171.974 174.314 -2.340 18831 2817 1 7 . 1 1 65 65 SER CA C 65 60.390 60.390 59.808 0.582 18831 2818 1 7 . 1 1 65 65 SER CB C 65 64.259 64.259 63.675 0.584 18831 2819 1 7 . 1 1 65 65 SER H H 65 7.778 7.778 7.229 0.549 18831 2820 1 7 . 1 1 66 66 THR N N 66 117.698 117.698 122.976 -5.278 18831 2821 1 7 . 1 1 66 66 THR HA H 66 5.342 5.342 4.706 0.636 18831 2822 1 7 . 1 1 66 66 THR C C 66 173.567 173.567 174.501 -0.934 18831 2823 1 7 . 1 1 66 66 THR CA C 66 61.850 61.850 62.826 -0.976 18831 2824 1 7 . 1 1 66 66 THR CB C 66 69.772 69.772 69.137 0.635 18831 2825 1 7 . 1 1 66 66 THR H H 66 8.764 8.764 8.594 0.170 18831 2826 1 7 . 1 1 67 67 LEU N N 67 127.655 127.655 127.015 0.640 18831 2827 1 7 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.659 0.483 18831 2828 1 7 . 1 1 67 67 LEU C C 67 175.119 175.119 176.670 -1.551 18831 2829 1 7 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.377 -0.157 18831 2830 1 7 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.463 0.336 18831 2831 1 7 . 1 1 67 67 LEU H H 67 9.400 9.400 7.755 1.645 18831 2832 1 7 . 1 1 68 68 HIS N N 68 120.510 120.510 116.022 4.488 18831 2833 1 7 . 1 1 68 68 HIS HA H 68 5.423 5.423 5.084 0.339 18831 2834 1 7 . 1 1 68 68 HIS C C 68 174.246 174.246 174.537 -0.291 18831 2835 1 7 . 1 1 68 68 HIS CA C 68 55.082 55.082 54.696 0.386 18831 2836 1 7 . 1 1 68 68 HIS CB C 68 32.310 32.310 32.191 0.119 18831 2837 1 7 . 1 1 68 68 HIS H H 68 9.128 9.128 8.424 0.704 18831 2838 1 7 . 1 1 69 69 ILE N N 69 120.349 120.349 125.544 -5.195 18831 2839 1 7 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.625 0.547 18831 2840 1 7 . 1 1 69 69 ILE C C 69 174.800 174.800 175.640 -0.840 18831 2841 1 7 . 1 1 69 69 ILE CA C 69 58.474 58.474 60.607 -2.133 18831 2842 1 7 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.792 1.300 18831 2843 1 7 . 1 1 69 69 ILE H H 69 8.369 8.369 8.731 -0.362 18831 2844 1 7 . 1 1 70 70 VAL N N 70 126.551 126.551 128.411 -1.860 18831 2845 1 7 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.154 0.213 18831 2846 1 7 . 1 1 70 70 VAL C C 70 174.467 174.467 174.865 -0.398 18831 2847 1 7 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.738 -1.439 18831 2848 1 7 . 1 1 70 70 VAL CB C 70 33.550 33.550 30.459 3.091 18831 2849 1 7 . 1 1 70 70 VAL H H 70 8.944 8.944 8.201 0.743 18831 2850 1 7 . 1 1 71 71 TRP N N 71 125.438 125.438 131.612 -6.174 18831 2851 1 7 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.821 0.287 18831 2852 1 7 . 1 1 71 71 TRP C C 71 175.797 175.797 175.263 0.534 18831 2853 1 7 . 1 1 71 71 TRP CA C 71 55.745 55.745 56.615 -0.871 18831 2854 1 7 . 1 1 71 71 TRP CB C 71 30.099 30.099 30.141 -0.042 18831 2855 1 7 . 1 1 71 71 TRP H H 71 8.425 8.425 8.263 0.162 18831 2856 1 7 . 1 1 72 72 ARG N N 72 125.700 125.700 128.858 -3.158 18831 2857 1 7 . 1 1 72 72 ARG HA H 72 4.283 4.283 3.928 0.355 18831 2858 1 7 . 1 1 72 72 ARG C C 72 174.661 174.661 174.146 0.515 18831 2859 1 7 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.410 -0.353 18831 2860 1 7 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.479 -0.919 18831 2861 1 7 . 1 1 72 72 ARG H H 72 8.261 8.261 8.293 -0.032 18831 2862 1 7 . 1 1 73 73 LEU N N 73 123.370 123.370 125.934 -2.564 18831 2863 1 7 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.416 -0.196 18831 2864 1 7 . 1 1 73 73 LEU C C 73 177.072 177.072 177.047 0.025 18831 2865 1 7 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.094 0.536 18831 2866 1 7 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.407 -0.765 18831 2867 1 7 . 1 1 73 73 LEU H H 73 7.901 7.901 7.855 0.046 18831 2868 1 7 . 1 1 74 74 ARG N N 74 121.200 121.200 122.570 -1.370 18831 2869 1 7 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.249 0.038 18831 2870 1 7 . 1 1 74 74 ARG C C 74 176.609 176.609 176.854 -0.245 18831 2871 1 7 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.138 -0.368 18831 2872 1 7 . 1 1 74 74 ARG CB C 74 29.900 29.900 31.072 -1.172 18831 2873 1 7 . 1 1 74 74 ARG H H 74 8.211 8.211 8.325 -0.114 18831 2874 1 7 . 1 1 75 75 GLY N N 75 110.833 110.833 111.326 -0.493 18831 2875 1 7 . 1 1 75 75 GLY C C 75 173.520 173.520 175.273 -1.753 18831 2876 1 7 . 1 1 75 75 GLY CA C 75 44.581 44.581 46.236 -1.655 18831 2877 1 7 . 1 1 75 75 GLY H H 75 8.434 8.434 8.818 -0.384 18831 2878 1 8 . 1 1 2 2 GLN N N 2 121.114 121.114 121.707 -0.593 18831 2879 1 8 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.475 -0.111 18831 2880 1 8 . 1 1 2 2 GLN C C 2 175.892 175.892 175.975 -0.083 18831 2881 1 8 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.501 -0.673 18831 2882 1 8 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.409 -1.461 18831 2883 1 8 . 1 1 2 2 GLN H H 2 8.384 8.384 8.400 -0.016 18831 2884 1 8 . 1 1 3 3 ILE N N 3 114.990 114.990 112.821 2.169 18831 2885 1 8 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.229 0.081 18831 2886 1 8 . 1 1 3 3 ILE C C 3 172.645 172.645 173.870 -1.225 18831 2887 1 8 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.730 -0.955 18831 2888 1 8 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.448 -0.084 18831 2889 1 8 . 1 1 3 3 ILE H H 3 8.392 8.392 8.162 0.230 18831 2890 1 8 . 1 1 4 4 PHE N N 4 118.863 118.863 121.575 -2.712 18831 2891 1 8 . 1 1 4 4 PHE HA H 4 5.548 5.548 4.824 0.724 18831 2892 1 8 . 1 1 4 4 PHE C C 4 175.076 175.076 175.487 -0.411 18831 2893 1 8 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.763 0.297 18831 2894 1 8 . 1 1 4 4 PHE CB C 4 40.410 40.410 39.105 1.305 18831 2895 1 8 . 1 1 4 4 PHE H H 4 8.731 8.731 7.914 0.817 18831 2896 1 8 . 1 1 5 5 VAL N N 5 119.550 119.550 115.722 3.828 18831 2897 1 8 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.630 0.425 18831 2898 1 8 . 1 1 5 5 VAL C C 5 174.974 174.974 174.621 0.353 18831 2899 1 8 . 1 1 5 5 VAL CA C 5 59.904 59.904 60.169 -0.265 18831 2900 1 8 . 1 1 5 5 VAL CB C 5 33.375 33.375 33.943 -0.568 18831 2901 1 8 . 1 1 5 5 VAL H H 5 9.155 9.155 8.076 1.079 18831 2902 1 8 . 1 1 6 6 LYS N N 6 129.015 129.015 125.844 3.171 18831 2903 1 8 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.555 0.422 18831 2904 1 8 . 1 1 6 6 LYS C C 6 176.045 176.045 175.790 0.255 18831 2905 1 8 . 1 1 6 6 LYS CA C 6 54.697 54.697 56.260 -1.563 18831 2906 1 8 . 1 1 6 6 LYS CB C 6 34.391 34.391 33.867 0.524 18831 2907 1 8 . 1 1 6 6 LYS H H 6 9.078 9.078 7.959 1.119 18831 2908 1 8 . 1 1 7 7 GLY N N 7 111.500 111.500 110.245 1.255 18831 2909 1 8 . 1 1 7 7 GLY C C 7 175.552 175.552 174.822 0.730 18831 2910 1 8 . 1 1 7 7 GLY CA C 7 43.924 43.924 44.880 -0.956 18831 2911 1 8 . 1 1 7 7 GLY H H 7 8.649 8.649 8.202 0.447 18831 2912 1 8 . 1 1 8 8 LEU N N 8 120.313 120.313 119.375 0.938 18831 2913 1 8 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.327 -0.024 18831 2914 1 8 . 1 1 8 8 LEU CA C 8 56.498 56.498 56.542 -0.044 18831 2915 1 8 . 1 1 8 8 LEU CB C 8 41.779 41.779 42.105 -0.327 18831 2916 1 8 . 1 1 8 8 LEU H H 8 8.562 8.562 8.882 -0.320 18831 2917 1 8 . 1 1 9 9 THR HA H 9 4.564 4.564 4.110 0.454 18831 2918 1 8 . 1 1 9 9 THR C C 9 175.093 175.093 176.106 -1.013 18831 2919 1 8 . 1 1 9 9 THR CA C 9 60.451 60.451 62.954 -2.503 18831 2920 1 8 . 1 1 9 9 THR CB C 9 69.020 69.020 68.424 0.596 18831 2921 1 8 . 1 1 10 10 GLY N N 10 109.154 109.154 108.974 0.180 18831 2922 1 8 . 1 1 10 10 GLY C C 10 174.039 174.039 173.952 0.087 18831 2923 1 8 . 1 1 10 10 GLY CA C 10 44.836 44.836 45.127 -0.291 18831 2924 1 8 . 1 1 10 10 GLY H H 10 8.123 8.123 7.901 0.222 18831 2925 1 8 . 1 1 11 11 LYS N N 11 120.968 120.968 118.929 2.039 18831 2926 1 8 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.673 0.127 18831 2927 1 8 . 1 1 11 11 LYS CA C 11 55.640 55.640 54.677 0.963 18831 2928 1 8 . 1 1 11 11 LYS CB C 11 32.390 32.390 34.760 -2.370 18831 2929 1 8 . 1 1 11 11 LYS H H 11 8.021 8.021 7.621 0.400 18831 2930 1 8 . 1 1 12 12 THR HA H 12 5.006 5.006 4.861 0.145 18831 2931 1 8 . 1 1 12 12 THR C C 12 174.362 174.362 175.051 -0.689 18831 2932 1 8 . 1 1 12 12 THR CA C 12 61.969 61.969 61.114 0.855 18831 2933 1 8 . 1 1 12 12 THR CB C 12 61.769 61.769 70.202 -8.433 18831 2934 1 8 . 1 1 13 13 THR N N 13 124.317 124.317 118.422 5.895 18831 2935 1 8 . 1 1 13 13 THR HA H 13 4.721 4.721 4.571 0.150 18831 2936 1 8 . 1 1 13 13 THR C C 13 173.104 173.104 174.380 -1.276 18831 2937 1 8 . 1 1 13 13 THR CA C 13 61.786 61.786 61.705 0.081 18831 2938 1 8 . 1 1 13 13 THR CB C 13 70.179 70.179 70.485 -0.306 18831 2939 1 8 . 1 1 13 13 THR H H 13 9.028 9.028 8.155 0.873 18831 2940 1 8 . 1 1 14 14 THR N N 14 122.168 122.168 120.150 2.018 18831 2941 1 8 . 1 1 14 14 THR HA H 14 5.055 5.055 4.779 0.276 18831 2942 1 8 . 1 1 14 14 THR C C 14 173.274 173.274 173.605 -0.331 18831 2943 1 8 . 1 1 14 14 THR CA C 14 61.284 61.284 62.565 -1.281 18831 2944 1 8 . 1 1 14 14 THR CB C 14 69.510 69.510 68.968 0.542 18831 2945 1 8 . 1 1 14 14 THR H H 14 8.731 8.731 8.596 0.135 18831 2946 1 8 . 1 1 15 15 LEU N N 15 125.117 125.117 126.306 -1.189 18831 2947 1 8 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.750 0.022 18831 2948 1 8 . 1 1 15 15 LEU C C 15 174.702 174.702 175.758 -1.056 18831 2949 1 8 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.586 -1.135 18831 2950 1 8 . 1 1 15 15 LEU CB C 15 46.271 46.271 45.302 0.969 18831 2951 1 8 . 1 1 15 15 LEU H H 15 8.912 8.912 8.519 0.393 18831 2952 1 8 . 1 1 16 16 GLU N N 16 122.278 122.278 122.552 -0.274 18831 2953 1 8 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.411 0.583 18831 2954 1 8 . 1 1 16 16 GLU C C 16 175.926 175.926 175.656 0.270 18831 2955 1 8 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.367 -1.307 18831 2956 1 8 . 1 1 16 16 GLU CB C 16 28.484 28.484 30.037 -1.553 18831 2957 1 8 . 1 1 16 16 GLU H H 16 8.224 8.224 8.590 -0.366 18831 2958 1 8 . 1 1 17 17 VAL N N 17 116.959 116.959 118.698 -1.739 18831 2959 1 8 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.514 0.262 18831 2960 1 8 . 1 1 17 17 VAL C C 17 173.767 173.767 173.835 -0.068 18831 2961 1 8 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.755 -1.550 18831 2962 1 8 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.945 0.924 18831 2963 1 8 . 1 1 17 17 VAL H H 17 8.881 8.881 7.949 0.932 18831 2964 1 8 . 1 1 18 18 GLU N N 18 118.016 118.016 120.829 -2.813 18831 2965 1 8 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.679 0.383 18831 2966 1 8 . 1 1 18 18 GLU CA C 18 52.483 52.483 53.916 -1.433 18831 2967 1 8 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.108 -1.515 18831 2968 1 8 . 1 1 18 18 GLU H H 18 8.492 8.492 8.570 -0.078 18831 2969 1 8 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.087 0.095 18831 2970 1 8 . 1 1 19 19 PRO C C 19 175.297 175.297 177.714 -2.417 18831 2971 1 8 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.935 -1.045 18831 2972 1 8 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.898 -0.782 18831 2973 1 8 . 1 1 20 20 SER N N 20 103.828 103.828 108.754 -4.926 18831 2974 1 8 . 1 1 20 20 SER HA H 20 4.437 4.437 4.206 0.231 18831 2975 1 8 . 1 1 20 20 SER C C 20 174.447 174.447 174.374 0.073 18831 2976 1 8 . 1 1 20 20 SER CA C 20 56.743 56.743 59.010 -2.267 18831 2977 1 8 . 1 1 20 20 SER CB C 20 62.880 62.880 62.927 -0.047 18831 2978 1 8 . 1 1 20 20 SER H H 20 7.103 7.103 8.309 -1.206 18831 2979 1 8 . 1 1 21 21 ASP N N 21 123.913 123.913 124.119 -0.206 18831 2980 1 8 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.513 0.225 18831 2981 1 8 . 1 1 21 21 ASP C C 21 176.402 176.402 175.887 0.515 18831 2982 1 8 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.887 0.503 18831 2983 1 8 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.447 -1.077 18831 2984 1 8 . 1 1 21 21 ASP H H 21 8.045 8.045 7.894 0.151 18831 2985 1 8 . 1 1 22 22 THR N N 22 109.500 109.500 115.707 -6.207 18831 2986 1 8 . 1 1 22 22 THR HA H 22 4.938 4.938 4.388 0.550 18831 2987 1 8 . 1 1 22 22 THR C C 22 176.555 176.555 175.878 0.677 18831 2988 1 8 . 1 1 22 22 THR CA C 22 59.079 59.079 61.208 -2.129 18831 2989 1 8 . 1 1 22 22 THR CB C 22 70.433 70.433 70.518 -0.085 18831 2990 1 8 . 1 1 22 22 THR H H 22 7.967 7.967 7.789 0.178 18831 2991 1 8 . 1 1 23 23 ILE N N 23 121.579 121.579 121.574 0.005 18831 2992 1 8 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.722 -0.030 18831 2993 1 8 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.771 -0.952 18831 2994 1 8 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.283 -2.363 18831 2995 1 8 . 1 1 23 23 ILE H H 23 8.628 8.628 7.982 0.646 18831 2996 1 8 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.765 0.189 18831 2997 1 8 . 1 1 24 24 GLU C C 24 179.002 179.002 178.429 0.573 18831 2998 1 8 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.267 0.063 18831 2999 1 8 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.319 -1.379 18831 3000 1 8 . 1 1 25 25 ASN N N 25 121.468 121.468 117.842 3.626 18831 3001 1 8 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.504 0.116 18831 3002 1 8 . 1 1 25 25 ASN C C 25 178.322 178.322 177.789 0.533 18831 3003 1 8 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.910 -0.666 18831 3004 1 8 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.371 -0.611 18831 3005 1 8 . 1 1 25 25 ASN H H 25 7.953 7.953 7.551 0.402 18831 3006 1 8 . 1 1 26 26 VAL N N 26 122.536 122.536 121.096 1.440 18831 3007 1 8 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.452 0.032 18831 3008 1 8 . 1 1 26 26 VAL C C 26 177.812 177.812 178.069 -0.257 18831 3009 1 8 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.881 0.165 18831 3010 1 8 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.555 -1.254 18831 3011 1 8 . 1 1 26 26 VAL H H 26 8.312 8.312 7.519 0.793 18831 3012 1 8 . 1 1 27 27 LYS N N 27 119.303 119.303 119.138 0.165 18831 3013 1 8 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.934 0.653 18831 3014 1 8 . 1 1 27 27 LYS C C 27 180.277 180.277 178.797 1.480 18831 3015 1 8 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.825 -0.942 18831 3016 1 8 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.098 1.005 18831 3017 1 8 . 1 1 27 27 LYS H H 27 8.742 8.742 8.327 0.415 18831 3018 1 8 . 1 1 28 28 ALA N N 28 123.505 123.505 122.179 1.326 18831 3019 1 8 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.109 0.121 18831 3020 1 8 . 1 1 28 28 ALA C C 28 180.215 180.215 179.092 1.123 18831 3021 1 8 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.798 0.042 18831 3022 1 8 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.384 -1.288 18831 3023 1 8 . 1 1 28 28 ALA H H 28 7.877 7.877 7.587 0.290 18831 3024 1 8 . 1 1 29 29 LYS N N 29 120.598 120.598 117.758 2.840 18831 3025 1 8 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.076 0.174 18831 3026 1 8 . 1 1 29 29 LYS C C 29 180.229 180.229 179.449 0.780 18831 3027 1 8 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.622 0.520 18831 3028 1 8 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.471 0.049 18831 3029 1 8 . 1 1 29 29 LYS H H 29 7.927 7.927 7.745 0.182 18831 3030 1 8 . 1 1 30 30 ILE N N 30 121.068 121.068 121.617 -0.549 18831 3031 1 8 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.666 -0.086 18831 3032 1 8 . 1 1 30 30 ILE C C 30 180.286 180.286 177.260 3.026 18831 3033 1 8 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.116 0.261 18831 3034 1 8 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.849 -1.409 18831 3035 1 8 . 1 1 30 30 ILE H H 30 8.614 8.614 8.366 0.248 18831 3036 1 8 . 1 1 31 31 GLN N N 31 126.930 126.930 118.920 8.010 18831 3037 1 8 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.923 0.074 18831 3038 1 8 . 1 1 31 31 GLN C C 31 178.844 178.844 177.269 1.575 18831 3039 1 8 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.383 0.803 18831 3040 1 8 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.306 -1.206 18831 3041 1 8 . 1 1 31 31 GLN H H 31 8.756 8.756 8.382 0.374 18831 3042 1 8 . 1 1 32 32 ASP N N 32 120.549 120.549 118.403 2.146 18831 3043 1 8 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.560 -0.146 18831 3044 1 8 . 1 1 32 32 ASP C C 32 177.501 177.501 177.750 -0.249 18831 3045 1 8 . 1 1 32 32 ASP CA C 32 57.031 57.031 55.792 1.239 18831 3046 1 8 . 1 1 32 32 ASP CB C 32 40.370 40.370 41.150 -0.780 18831 3047 1 8 . 1 1 32 32 ASP H H 32 8.033 8.033 7.661 0.372 18831 3048 1 8 . 1 1 33 33 LYS N N 33 113.834 113.834 118.044 -4.210 18831 3049 1 8 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.239 0.094 18831 3050 1 8 . 1 1 33 33 LYS C C 33 178.038 178.038 177.921 0.117 18831 3051 1 8 . 1 1 33 33 LYS CA C 33 56.860 56.860 57.694 -0.834 18831 3052 1 8 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.199 0.161 18831 3053 1 8 . 1 1 33 33 LYS H H 33 7.386 7.386 7.950 -0.564 18831 3054 1 8 . 1 1 34 34 THR N N 34 106.465 106.465 108.056 -1.591 18831 3055 1 8 . 1 1 34 34 THR HA H 34 4.718 4.718 4.357 0.361 18831 3056 1 8 . 1 1 34 34 THR C C 34 175.819 175.819 175.475 0.344 18831 3057 1 8 . 1 1 34 34 THR CA C 34 62.179 62.179 62.120 0.059 18831 3058 1 8 . 1 1 34 34 THR CB C 34 72.477 72.477 70.290 2.187 18831 3059 1 8 . 1 1 34 34 THR H H 34 8.263 8.263 8.103 0.160 18831 3060 1 8 . 1 1 35 35 GLY N N 35 112.744 112.744 113.341 -0.597 18831 3061 1 8 . 1 1 35 35 GLY C C 35 174.166 174.166 173.349 0.817 18831 3062 1 8 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.627 -1.021 18831 3063 1 8 . 1 1 35 35 GLY H H 35 8.810 8.810 7.764 1.046 18831 3064 1 8 . 1 1 36 36 LEU N N 36 125.200 125.200 118.394 6.806 18831 3065 1 8 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.722 -0.187 18831 3066 1 8 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.149 0.935 18831 3067 1 8 . 1 1 36 36 LEU CB C 36 42.445 42.445 42.580 -0.135 18831 3068 1 8 . 1 1 36 36 LEU H H 36 7.614 7.614 7.656 -0.042 18831 3069 1 8 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.488 0.176 18831 3070 1 8 . 1 1 37 37 PRO CA C 37 60.900 60.900 62.544 -1.644 18831 3071 1 8 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.200 -0.330 18831 3072 1 8 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.326 -0.176 18831 3073 1 8 . 1 1 38 38 PRO C C 38 178.123 178.123 178.161 -0.038 18831 3074 1 8 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.375 0.226 18831 3075 1 8 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.885 0.515 18831 3076 1 8 . 1 1 39 39 ASP N N 39 113.380 113.380 117.196 -3.816 18831 3077 1 8 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.492 -0.015 18831 3078 1 8 . 1 1 39 39 ASP C C 39 176.823 176.823 176.007 0.816 18831 3079 1 8 . 1 1 39 39 ASP CA C 39 55.050 55.050 54.883 0.167 18831 3080 1 8 . 1 1 39 39 ASP CB C 39 39.150 39.150 40.236 -1.086 18831 3081 1 8 . 1 1 39 39 ASP H H 39 8.518 8.518 8.431 0.087 18831 3082 1 8 . 1 1 40 40 GLN N N 40 116.933 116.933 117.422 -0.489 18831 3083 1 8 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.514 0.031 18831 3084 1 8 . 1 1 40 40 GLN C C 40 174.900 174.900 174.854 0.046 18831 3085 1 8 . 1 1 40 40 GLN CA C 40 54.940 54.940 54.948 -0.008 18831 3086 1 8 . 1 1 40 40 GLN CB C 40 29.160 29.160 29.572 -0.412 18831 3087 1 8 . 1 1 40 40 GLN H H 40 7.864 7.864 7.428 0.436 18831 3088 1 8 . 1 1 41 41 GLN N N 41 118.389 118.389 118.074 0.315 18831 3089 1 8 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.596 -0.215 18831 3090 1 8 . 1 1 41 41 GLN C C 41 175.848 175.848 175.216 0.632 18831 3091 1 8 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.142 0.134 18831 3092 1 8 . 1 1 41 41 GLN CB C 41 30.840 30.840 30.687 0.153 18831 3093 1 8 . 1 1 41 41 GLN H H 41 7.446 7.446 7.412 0.034 18831 3094 1 8 . 1 1 42 42 ARG N N 42 123.499 123.499 123.284 0.215 18831 3095 1 8 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.582 -0.021 18831 3096 1 8 . 1 1 42 42 ARG C C 42 173.812 173.812 174.152 -0.340 18831 3097 1 8 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.599 -0.666 18831 3098 1 8 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.435 -1.628 18831 3099 1 8 . 1 1 42 42 ARG H H 42 8.408 8.408 8.627 -0.219 18831 3100 1 8 . 1 1 43 43 LEU N N 43 124.567 124.567 126.129 -1.562 18831 3101 1 8 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.107 0.254 18831 3102 1 8 . 1 1 43 43 LEU C C 43 175.353 175.353 175.541 -0.188 18831 3103 1 8 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.532 -0.959 18831 3104 1 8 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.654 0.060 18831 3105 1 8 . 1 1 43 43 LEU H H 43 8.859 8.859 8.692 0.167 18831 3106 1 8 . 1 1 44 44 ILE N N 44 122.662 122.662 122.313 0.349 18831 3107 1 8 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.865 0.135 18831 3108 1 8 . 1 1 44 44 ILE C C 44 175.579 175.579 174.406 1.173 18831 3109 1 8 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.529 -2.219 18831 3110 1 8 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.776 -1.248 18831 3111 1 8 . 1 1 44 44 ILE H H 44 9.206 9.206 8.166 1.040 18831 3112 1 8 . 1 1 45 45 PHE N N 45 124.709 124.709 127.734 -3.025 18831 3113 1 8 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.905 0.333 18831 3114 1 8 . 1 1 45 45 PHE C C 45 174.561 174.561 174.966 -0.405 18831 3115 1 8 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.602 0.247 18831 3116 1 8 . 1 1 45 45 PHE CB C 45 42.890 42.890 43.093 -0.203 18831 3117 1 8 . 1 1 45 45 PHE H H 45 8.828 8.828 8.988 -0.160 18831 3118 1 8 . 1 1 46 46 ALA N N 46 132.860 132.860 128.468 4.392 18831 3119 1 8 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.597 0.154 18831 3120 1 8 . 1 1 46 46 ALA C C 46 177.247 177.247 176.975 0.272 18831 3121 1 8 . 1 1 46 46 ALA CA C 46 51.858 51.858 53.184 -1.326 18831 3122 1 8 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.842 -0.957 18831 3123 1 8 . 1 1 46 46 ALA H H 46 9.010 9.010 8.745 0.265 18831 3124 1 8 . 1 1 47 47 GLY N N 47 102.630 102.630 103.183 -0.553 18831 3125 1 8 . 1 1 47 47 GLY C C 47 173.643 173.643 175.028 -1.385 18831 3126 1 8 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.102 -0.399 18831 3127 1 8 . 1 1 47 47 GLY H H 47 8.089 8.089 8.284 -0.195 18831 3128 1 8 . 1 1 48 48 LYS N N 48 122.237 122.237 122.507 -0.270 18831 3129 1 8 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.323 0.344 18831 3130 1 8 . 1 1 48 48 LYS C C 48 174.519 174.519 175.739 -1.220 18831 3131 1 8 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.476 -2.475 18831 3132 1 8 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.224 0.326 18831 3133 1 8 . 1 1 48 48 LYS H H 48 8.028 8.028 8.066 -0.038 18831 3134 1 8 . 1 1 49 49 GLN N N 49 123.092 123.092 123.630 -0.538 18831 3135 1 8 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.630 -0.133 18831 3136 1 8 . 1 1 49 49 GLN C C 49 175.635 175.635 175.841 -0.206 18831 3137 1 8 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.665 -0.275 18831 3138 1 8 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.878 -1.471 18831 3139 1 8 . 1 1 49 49 GLN H H 49 8.643 8.643 8.599 0.044 18831 3140 1 8 . 1 1 50 50 LEU N N 50 125.507 125.507 127.811 -2.304 18831 3141 1 8 . 1 1 50 50 LEU HA H 50 4.153 4.153 3.974 0.179 18831 3142 1 8 . 1 1 50 50 LEU C C 50 176.611 176.611 176.172 0.439 18831 3143 1 8 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.804 -1.234 18831 3144 1 8 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.290 -1.487 18831 3145 1 8 . 1 1 50 50 LEU H H 50 8.544 8.544 8.010 0.534 18831 3146 1 8 . 1 1 51 51 GLU N N 51 123.223 123.223 119.836 3.387 18831 3147 1 8 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.579 0.030 18831 3148 1 8 . 1 1 51 51 GLU C C 51 175.226 175.226 174.582 0.644 18831 3149 1 8 . 1 1 51 51 GLU CA C 51 55.480 55.480 54.899 0.581 18831 3150 1 8 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.910 -2.610 18831 3151 1 8 . 1 1 51 51 GLU H H 51 8.410 8.410 8.808 -0.398 18831 3152 1 8 . 1 1 52 52 ASP N N 52 120.438 120.438 119.736 0.702 18831 3153 1 8 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.557 -0.124 18831 3154 1 8 . 1 1 52 52 ASP CA C 52 55.992 55.992 54.712 1.280 18831 3155 1 8 . 1 1 52 52 ASP CB C 52 40.080 40.080 40.905 -0.825 18831 3156 1 8 . 1 1 52 52 ASP H H 52 8.202 8.202 8.538 -0.336 18831 3157 1 8 . 1 1 53 53 GLY C C 53 174.703 174.703 174.186 0.517 18831 3158 1 8 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.050 -0.241 18831 3159 1 8 . 1 1 54 54 ARG N N 54 119.424 119.424 120.138 -0.714 18831 3160 1 8 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.940 -0.144 18831 3161 1 8 . 1 1 54 54 ARG C C 54 175.226 175.226 174.976 0.250 18831 3162 1 8 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.636 -1.069 18831 3163 1 8 . 1 1 54 54 ARG CB C 54 31.960 31.960 34.065 -2.105 18831 3164 1 8 . 1 1 54 54 ARG H H 54 7.485 7.485 7.655 -0.170 18831 3165 1 8 . 1 1 55 55 THR N N 55 109.146 109.146 112.447 -3.301 18831 3166 1 8 . 1 1 55 55 THR HA H 55 5.330 5.330 4.771 0.559 18831 3167 1 8 . 1 1 55 55 THR C C 55 176.484 176.484 176.330 0.154 18831 3168 1 8 . 1 1 55 55 THR CA C 55 59.151 59.151 59.453 -0.302 18831 3169 1 8 . 1 1 55 55 THR CB C 55 71.868 71.868 70.607 1.261 18831 3170 1 8 . 1 1 55 55 THR H H 55 8.915 8.915 8.422 0.493 18831 3171 1 8 . 1 1 56 56 LEU N N 56 117.771 117.771 120.694 -2.923 18831 3172 1 8 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.169 -0.045 18831 3173 1 8 . 1 1 56 56 LEU C C 56 180.611 180.611 178.234 2.377 18831 3174 1 8 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.135 -0.160 18831 3175 1 8 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.218 -1.442 18831 3176 1 8 . 1 1 56 56 LEU H H 56 8.192 8.192 8.649 -0.457 18831 3177 1 8 . 1 1 57 57 SER N N 57 113.230 113.230 112.190 1.040 18831 3178 1 8 . 1 1 57 57 SER HA H 57 4.323 4.323 4.243 0.080 18831 3179 1 8 . 1 1 57 57 SER C C 57 178.166 178.166 175.561 2.605 18831 3180 1 8 . 1 1 57 57 SER CA C 57 60.523 60.523 60.381 0.142 18831 3181 1 8 . 1 1 57 57 SER CB C 57 61.940 61.940 62.336 -0.396 18831 3182 1 8 . 1 1 57 57 SER H H 57 8.423 8.423 8.426 -0.003 18831 3183 1 8 . 1 1 58 58 ASP N N 58 124.565 124.565 122.113 2.452 18831 3184 1 8 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.472 -0.130 18831 3185 1 8 . 1 1 58 58 ASP C C 58 177.303 177.303 176.871 0.432 18831 3186 1 8 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.024 0.836 18831 3187 1 8 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.892 -1.105 18831 3188 1 8 . 1 1 58 58 ASP H H 58 7.945 7.945 7.752 0.193 18831 3189 1 8 . 1 1 59 59 TYR N N 59 115.843 115.843 116.491 -0.648 18831 3190 1 8 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.414 0.282 18831 3191 1 8 . 1 1 59 59 TYR C C 59 174.590 174.590 175.753 -1.163 18831 3192 1 8 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.822 -1.077 18831 3193 1 8 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.314 1.116 18831 3194 1 8 . 1 1 59 59 TYR H H 59 7.311 7.311 7.307 0.004 18831 3195 1 8 . 1 1 60 60 ASN N N 60 115.827 115.827 113.313 2.514 18831 3196 1 8 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.332 0.075 18831 3197 1 8 . 1 1 60 60 ASN C C 60 174.165 174.165 174.743 -0.578 18831 3198 1 8 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.422 -0.839 18831 3199 1 8 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.505 0.222 18831 3200 1 8 . 1 1 60 60 ASN H H 60 8.161 8.161 7.737 0.424 18831 3201 1 8 . 1 1 61 61 ILE N N 61 118.960 118.960 120.112 -1.152 18831 3202 1 8 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.432 -0.029 18831 3203 1 8 . 1 1 61 61 ILE C C 61 174.378 174.378 175.192 -0.814 18831 3204 1 8 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.630 -0.704 18831 3205 1 8 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.789 -1.530 18831 3206 1 8 . 1 1 61 61 ILE H H 61 7.211 7.211 7.818 -0.607 18831 3207 1 8 . 1 1 62 62 GLN N N 62 124.901 124.901 124.614 0.287 18831 3208 1 8 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.661 -0.073 18831 3209 1 8 . 1 1 62 62 GLN C C 62 175.611 175.611 175.248 0.363 18831 3210 1 8 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.713 -0.603 18831 3211 1 8 . 1 1 62 62 GLN CB C 62 31.093 31.093 31.636 -0.543 18831 3212 1 8 . 1 1 62 62 GLN H H 62 7.665 7.665 7.927 -0.262 18831 3213 1 8 . 1 1 63 63 LYS N N 63 120.318 120.318 120.125 0.193 18831 3214 1 8 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.189 -0.155 18831 3215 1 8 . 1 1 63 63 LYS C C 63 175.880 175.880 176.820 -0.940 18831 3216 1 8 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.353 1.107 18831 3217 1 8 . 1 1 63 63 LYS CB C 63 31.860 31.860 32.918 -1.058 18831 3218 1 8 . 1 1 63 63 LYS H H 63 8.473 8.473 8.333 0.140 18831 3219 1 8 . 1 1 64 64 GLU N N 64 114.842 114.842 119.359 -4.517 18831 3220 1 8 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.577 0.849 18831 3221 1 8 . 1 1 64 64 GLU C C 64 175.202 175.202 175.446 -0.244 18831 3222 1 8 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.832 0.982 18831 3223 1 8 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.670 -2.219 18831 3224 1 8 . 1 1 64 64 GLU H H 64 9.299 9.299 8.019 1.280 18831 3225 1 8 . 1 1 65 65 SER N N 65 115.119 115.119 114.279 0.840 18831 3226 1 8 . 1 1 65 65 SER HA H 65 4.712 4.712 4.512 0.200 18831 3227 1 8 . 1 1 65 65 SER C C 65 171.974 171.974 174.456 -2.482 18831 3228 1 8 . 1 1 65 65 SER CA C 65 60.390 60.390 59.592 0.798 18831 3229 1 8 . 1 1 65 65 SER CB C 65 64.259 64.259 63.632 0.627 18831 3230 1 8 . 1 1 65 65 SER H H 65 7.778 7.778 7.401 0.377 18831 3231 1 8 . 1 1 66 66 THR N N 66 117.698 117.698 123.105 -5.407 18831 3232 1 8 . 1 1 66 66 THR HA H 66 5.342 5.342 4.768 0.574 18831 3233 1 8 . 1 1 66 66 THR C C 66 173.567 173.567 174.402 -0.835 18831 3234 1 8 . 1 1 66 66 THR CA C 66 61.850 61.850 62.812 -0.962 18831 3235 1 8 . 1 1 66 66 THR CB C 66 69.772 69.772 69.479 0.293 18831 3236 1 8 . 1 1 66 66 THR H H 66 8.764 8.764 8.668 0.096 18831 3237 1 8 . 1 1 67 67 LEU N N 67 127.655 127.655 126.761 0.894 18831 3238 1 8 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.626 0.516 18831 3239 1 8 . 1 1 67 67 LEU C C 67 175.119 175.119 176.500 -1.381 18831 3240 1 8 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.048 0.172 18831 3241 1 8 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.429 0.369 18831 3242 1 8 . 1 1 67 67 LEU H H 67 9.400 9.400 7.820 1.580 18831 3243 1 8 . 1 1 68 68 HIS N N 68 120.510 120.510 115.762 4.748 18831 3244 1 8 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.902 0.521 18831 3245 1 8 . 1 1 68 68 HIS C C 68 174.246 174.246 174.573 -0.327 18831 3246 1 8 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.447 -0.365 18831 3247 1 8 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.323 0.987 18831 3248 1 8 . 1 1 68 68 HIS H H 68 9.128 9.128 8.393 0.735 18831 3249 1 8 . 1 1 69 69 ILE N N 69 120.349 120.349 123.031 -2.682 18831 3250 1 8 . 1 1 69 69 ILE HA H 69 5.173 5.173 5.129 0.044 18831 3251 1 8 . 1 1 69 69 ILE C C 69 174.800 174.800 174.757 0.043 18831 3252 1 8 . 1 1 69 69 ILE CA C 69 58.474 58.474 59.788 -1.314 18831 3253 1 8 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.757 1.335 18831 3254 1 8 . 1 1 69 69 ILE H H 69 8.369 8.369 8.021 0.348 18831 3255 1 8 . 1 1 70 70 VAL N N 70 126.551 126.551 122.400 4.151 18831 3256 1 8 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.596 -0.229 18831 3257 1 8 . 1 1 70 70 VAL C C 70 174.467 174.467 175.191 -0.724 18831 3258 1 8 . 1 1 70 70 VAL CA C 70 60.299 60.299 60.854 -0.555 18831 3259 1 8 . 1 1 70 70 VAL CB C 70 33.550 33.550 33.032 0.518 18831 3260 1 8 . 1 1 70 70 VAL H H 70 8.944 8.944 8.246 0.698 18831 3261 1 8 . 1 1 71 71 TRP N N 71 125.438 125.438 130.566 -5.128 18831 3262 1 8 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.948 0.160 18831 3263 1 8 . 1 1 71 71 TRP C C 71 175.797 175.797 175.206 0.591 18831 3264 1 8 . 1 1 71 71 TRP CA C 71 55.745 55.745 56.384 -0.639 18831 3265 1 8 . 1 1 71 71 TRP CB C 71 30.099 30.099 29.950 0.149 18831 3266 1 8 . 1 1 71 71 TRP H H 71 8.425 8.425 8.482 -0.057 18831 3267 1 8 . 1 1 72 72 ARG N N 72 125.700 125.700 128.808 -3.108 18831 3268 1 8 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.051 0.232 18831 3269 1 8 . 1 1 72 72 ARG C C 72 174.661 174.661 174.107 0.554 18831 3270 1 8 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.244 -0.187 18831 3271 1 8 . 1 1 72 72 ARG CB C 72 30.560 30.560 32.114 -1.554 18831 3272 1 8 . 1 1 72 72 ARG H H 72 8.261 8.261 8.338 -0.077 18831 3273 1 8 . 1 1 73 73 LEU N N 73 123.370 123.370 125.570 -2.200 18831 3274 1 8 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.575 -0.355 18831 3275 1 8 . 1 1 73 73 LEU C C 73 177.072 177.072 177.132 -0.060 18831 3276 1 8 . 1 1 73 73 LEU CA C 73 54.630 54.630 53.822 0.808 18831 3277 1 8 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.639 -0.997 18831 3278 1 8 . 1 1 73 73 LEU H H 73 7.901 7.901 8.041 -0.140 18831 3279 1 8 . 1 1 74 74 ARG N N 74 121.200 121.200 120.498 0.702 18831 3280 1 8 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.141 0.146 18831 3281 1 8 . 1 1 74 74 ARG C C 74 176.609 176.609 176.732 -0.123 18831 3282 1 8 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.459 -0.689 18831 3283 1 8 . 1 1 74 74 ARG CB C 74 29.900 29.900 30.627 -0.727 18831 3284 1 8 . 1 1 74 74 ARG H H 74 8.211 8.211 8.341 -0.130 18831 3285 1 8 . 1 1 75 75 GLY N N 75 110.833 110.833 110.868 -0.035 18831 3286 1 8 . 1 1 75 75 GLY C C 75 173.520 173.520 172.857 0.663 18831 3287 1 8 . 1 1 75 75 GLY CA C 75 44.581 44.581 45.137 -0.556 18831 3288 1 8 . 1 1 75 75 GLY H H 75 8.434 8.434 8.600 -0.166 18831 3289 1 9 . 1 1 2 2 GLN N N 2 121.114 121.114 121.121 -0.007 18831 3290 1 9 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.333 0.031 18831 3291 1 9 . 1 1 2 2 GLN C C 2 175.892 175.892 175.913 -0.021 18831 3292 1 9 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.468 -0.640 18831 3293 1 9 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.466 -1.518 18831 3294 1 9 . 1 1 2 2 GLN H H 2 8.384 8.384 8.380 0.004 18831 3295 1 9 . 1 1 3 3 ILE N N 3 114.990 114.990 112.918 2.072 18831 3296 1 9 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.296 0.014 18831 3297 1 9 . 1 1 3 3 ILE C C 3 172.645 172.645 173.928 -1.283 18831 3298 1 9 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.715 -0.940 18831 3299 1 9 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.621 -0.257 18831 3300 1 9 . 1 1 3 3 ILE H H 3 8.392 8.392 8.355 0.037 18831 3301 1 9 . 1 1 4 4 PHE N N 4 118.863 118.863 121.318 -2.455 18831 3302 1 9 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.082 0.467 18831 3303 1 9 . 1 1 4 4 PHE C C 4 175.076 175.076 175.723 -0.647 18831 3304 1 9 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.570 0.490 18831 3305 1 9 . 1 1 4 4 PHE CB C 4 40.410 40.410 39.658 0.752 18831 3306 1 9 . 1 1 4 4 PHE H H 4 8.731 8.731 7.882 0.849 18831 3307 1 9 . 1 1 5 5 VAL N N 5 119.550 119.550 116.848 2.702 18831 3308 1 9 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.557 0.498 18831 3309 1 9 . 1 1 5 5 VAL C C 5 174.974 174.974 174.920 0.054 18831 3310 1 9 . 1 1 5 5 VAL CA C 5 59.904 59.904 60.367 -0.463 18831 3311 1 9 . 1 1 5 5 VAL CB C 5 33.375 33.375 33.974 -0.599 18831 3312 1 9 . 1 1 5 5 VAL H H 5 9.155 9.155 8.237 0.918 18831 3313 1 9 . 1 1 6 6 LYS N N 6 129.015 129.015 126.758 2.257 18831 3314 1 9 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.447 0.530 18831 3315 1 9 . 1 1 6 6 LYS C C 6 176.045 176.045 176.318 -0.273 18831 3316 1 9 . 1 1 6 6 LYS CA C 6 54.697 54.697 55.876 -1.179 18831 3317 1 9 . 1 1 6 6 LYS CB C 6 34.391 34.391 33.423 0.968 18831 3318 1 9 . 1 1 6 6 LYS H H 6 9.078 9.078 8.012 1.066 18831 3319 1 9 . 1 1 7 7 GLY N N 7 111.500 111.500 113.192 -1.692 18831 3320 1 9 . 1 1 7 7 GLY C C 7 175.552 175.552 175.052 0.500 18831 3321 1 9 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.680 0.244 18831 3322 1 9 . 1 1 7 7 GLY H H 7 8.649 8.649 7.986 0.663 18831 3323 1 9 . 1 1 8 8 LEU N N 8 120.313 120.313 119.088 1.225 18831 3324 1 9 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.203 0.100 18831 3325 1 9 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.468 -0.970 18831 3326 1 9 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.953 -0.174 18831 3327 1 9 . 1 1 8 8 LEU H H 8 8.562 8.562 8.568 -0.006 18831 3328 1 9 . 1 1 9 9 THR HA H 9 4.564 4.564 4.293 0.271 18831 3329 1 9 . 1 1 9 9 THR C C 9 175.093 175.093 175.669 -0.576 18831 3330 1 9 . 1 1 9 9 THR CA C 9 60.451 60.451 62.101 -1.650 18831 3331 1 9 . 1 1 9 9 THR CB C 9 69.020 69.020 68.872 0.148 18831 3332 1 9 . 1 1 10 10 GLY N N 10 109.154 109.154 110.283 -1.129 18831 3333 1 9 . 1 1 10 10 GLY C C 10 174.039 174.039 174.263 -0.224 18831 3334 1 9 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.847 -0.011 18831 3335 1 9 . 1 1 10 10 GLY H H 10 8.123 8.123 7.540 0.583 18831 3336 1 9 . 1 1 11 11 LYS N N 11 120.968 120.968 122.407 -1.439 18831 3337 1 9 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.229 0.571 18831 3338 1 9 . 1 1 11 11 LYS CA C 11 55.640 55.640 56.638 -0.998 18831 3339 1 9 . 1 1 11 11 LYS CB C 11 32.390 32.390 32.661 -0.271 18831 3340 1 9 . 1 1 11 11 LYS H H 11 8.021 8.021 7.588 0.433 18831 3341 1 9 . 1 1 12 12 THR HA H 12 5.006 5.006 5.093 -0.087 18831 3342 1 9 . 1 1 12 12 THR C C 12 174.362 174.362 175.116 -0.754 18831 3343 1 9 . 1 1 12 12 THR CA C 12 61.969 61.969 60.816 1.153 18831 3344 1 9 . 1 1 12 12 THR CB C 12 61.769 61.769 69.815 -8.046 18831 3345 1 9 . 1 1 13 13 THR N N 13 124.317 124.317 122.247 2.070 18831 3346 1 9 . 1 1 13 13 THR HA H 13 4.721 4.721 4.557 0.164 18831 3347 1 9 . 1 1 13 13 THR C C 13 173.104 173.104 174.357 -1.253 18831 3348 1 9 . 1 1 13 13 THR CA C 13 61.786 61.786 61.313 0.473 18831 3349 1 9 . 1 1 13 13 THR CB C 13 70.179 70.179 70.117 0.062 18831 3350 1 9 . 1 1 13 13 THR H H 13 9.028 9.028 8.199 0.829 18831 3351 1 9 . 1 1 14 14 THR N N 14 122.168 122.168 120.335 1.833 18831 3352 1 9 . 1 1 14 14 THR HA H 14 5.055 5.055 4.810 0.245 18831 3353 1 9 . 1 1 14 14 THR C C 14 173.274 173.274 174.140 -0.866 18831 3354 1 9 . 1 1 14 14 THR CA C 14 61.284 61.284 62.291 -1.007 18831 3355 1 9 . 1 1 14 14 THR CB C 14 69.510 69.510 69.027 0.483 18831 3356 1 9 . 1 1 14 14 THR H H 14 8.731 8.731 8.610 0.121 18831 3357 1 9 . 1 1 15 15 LEU N N 15 125.117 125.117 127.470 -2.353 18831 3358 1 9 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.685 0.087 18831 3359 1 9 . 1 1 15 15 LEU C C 15 174.702 174.702 175.501 -0.799 18831 3360 1 9 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.770 -1.319 18831 3361 1 9 . 1 1 15 15 LEU CB C 15 46.271 46.271 45.330 0.941 18831 3362 1 9 . 1 1 15 15 LEU H H 15 8.912 8.912 8.949 -0.037 18831 3363 1 9 . 1 1 16 16 GLU N N 16 122.278 122.278 123.634 -1.356 18831 3364 1 9 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.647 0.347 18831 3365 1 9 . 1 1 16 16 GLU C C 16 175.926 175.926 175.726 0.200 18831 3366 1 9 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.124 -1.064 18831 3367 1 9 . 1 1 16 16 GLU CB C 16 28.484 28.484 30.215 -1.731 18831 3368 1 9 . 1 1 16 16 GLU H H 16 8.224 8.224 8.628 -0.404 18831 3369 1 9 . 1 1 17 17 VAL N N 17 116.959 116.959 120.954 -3.995 18831 3370 1 9 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.533 0.243 18831 3371 1 9 . 1 1 17 17 VAL C C 17 173.767 173.767 174.234 -0.467 18831 3372 1 9 . 1 1 17 17 VAL CA C 17 58.205 58.205 60.136 -1.931 18831 3373 1 9 . 1 1 17 17 VAL CB C 17 35.869 35.869 35.132 0.737 18831 3374 1 9 . 1 1 17 17 VAL H H 17 8.881 8.881 7.803 1.078 18831 3375 1 9 . 1 1 18 18 GLU N N 18 118.016 118.016 121.133 -3.117 18831 3376 1 9 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.729 0.333 18831 3377 1 9 . 1 1 18 18 GLU CA C 18 52.483 52.483 53.400 -0.916 18831 3378 1 9 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.027 -1.434 18831 3379 1 9 . 1 1 18 18 GLU H H 18 8.492 8.492 8.610 -0.118 18831 3380 1 9 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.243 -0.061 18831 3381 1 9 . 1 1 19 19 PRO C C 19 175.297 175.297 177.547 -2.250 18831 3382 1 9 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.540 -0.650 18831 3383 1 9 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.989 -0.874 18831 3384 1 9 . 1 1 20 20 SER N N 20 103.828 103.828 111.324 -7.496 18831 3385 1 9 . 1 1 20 20 SER HA H 20 4.437 4.437 4.302 0.135 18831 3386 1 9 . 1 1 20 20 SER C C 20 174.447 174.447 173.621 0.826 18831 3387 1 9 . 1 1 20 20 SER CA C 20 56.743 56.743 59.228 -2.485 18831 3388 1 9 . 1 1 20 20 SER CB C 20 62.880 62.880 62.908 -0.028 18831 3389 1 9 . 1 1 20 20 SER H H 20 7.103 7.103 8.281 -1.179 18831 3390 1 9 . 1 1 21 21 ASP N N 21 123.913 123.913 122.192 1.721 18831 3391 1 9 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.682 0.056 18831 3392 1 9 . 1 1 21 21 ASP C C 21 176.402 176.402 175.315 1.087 18831 3393 1 9 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.065 1.325 18831 3394 1 9 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.940 -1.570 18831 3395 1 9 . 1 1 21 21 ASP H H 21 8.045 8.045 7.710 0.335 18831 3396 1 9 . 1 1 22 22 THR N N 22 109.500 109.500 115.051 -5.551 18831 3397 1 9 . 1 1 22 22 THR HA H 22 4.938 4.938 4.486 0.452 18831 3398 1 9 . 1 1 22 22 THR C C 22 176.555 176.555 176.049 0.506 18831 3399 1 9 . 1 1 22 22 THR CA C 22 59.079 59.079 60.339 -1.260 18831 3400 1 9 . 1 1 22 22 THR CB C 22 70.433 70.433 70.597 -0.164 18831 3401 1 9 . 1 1 22 22 THR H H 22 7.967 7.967 8.145 -0.178 18831 3402 1 9 . 1 1 23 23 ILE N N 23 121.579 121.579 122.194 -0.615 18831 3403 1 9 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.721 -0.029 18831 3404 1 9 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.928 -1.109 18831 3405 1 9 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.253 -2.333 18831 3406 1 9 . 1 1 23 23 ILE H H 23 8.628 8.628 8.075 0.553 18831 3407 1 9 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.819 0.135 18831 3408 1 9 . 1 1 24 24 GLU C C 24 179.002 179.002 178.678 0.324 18831 3409 1 9 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.158 0.172 18831 3410 1 9 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.280 -1.340 18831 3411 1 9 . 1 1 25 25 ASN N N 25 121.468 121.468 117.611 3.857 18831 3412 1 9 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.523 0.097 18831 3413 1 9 . 1 1 25 25 ASN C C 25 178.322 178.322 177.759 0.563 18831 3414 1 9 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.903 -0.659 18831 3415 1 9 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.318 -0.558 18831 3416 1 9 . 1 1 25 25 ASN H H 25 7.953 7.953 7.590 0.363 18831 3417 1 9 . 1 1 26 26 VAL N N 26 122.536 122.536 120.550 1.986 18831 3418 1 9 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.525 -0.041 18831 3419 1 9 . 1 1 26 26 VAL C C 26 177.812 177.812 178.209 -0.397 18831 3420 1 9 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.937 0.109 18831 3421 1 9 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.070 -0.770 18831 3422 1 9 . 1 1 26 26 VAL H H 26 8.312 8.312 7.657 0.655 18831 3423 1 9 . 1 1 27 27 LYS N N 27 119.303 119.303 119.498 -0.195 18831 3424 1 9 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.958 0.629 18831 3425 1 9 . 1 1 27 27 LYS C C 27 180.277 180.277 178.817 1.460 18831 3426 1 9 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.877 -0.994 18831 3427 1 9 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.078 1.025 18831 3428 1 9 . 1 1 27 27 LYS H H 27 8.742 8.742 8.639 0.103 18831 3429 1 9 . 1 1 28 28 ALA N N 28 123.505 123.505 122.162 1.343 18831 3430 1 9 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.138 0.092 18831 3431 1 9 . 1 1 28 28 ALA C C 28 180.215 180.215 178.915 1.300 18831 3432 1 9 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.639 0.201 18831 3433 1 9 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.425 -1.329 18831 3434 1 9 . 1 1 28 28 ALA H H 28 7.877 7.877 7.520 0.357 18831 3435 1 9 . 1 1 29 29 LYS N N 29 120.598 120.598 117.613 2.985 18831 3436 1 9 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.257 -0.007 18831 3437 1 9 . 1 1 29 29 LYS C C 29 180.229 180.229 179.532 0.697 18831 3438 1 9 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.537 0.605 18831 3439 1 9 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.602 -0.082 18831 3440 1 9 . 1 1 29 29 LYS H H 29 7.927 7.927 7.835 0.092 18831 3441 1 9 . 1 1 30 30 ILE N N 30 121.068 121.068 121.236 -0.168 18831 3442 1 9 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.672 -0.092 18831 3443 1 9 . 1 1 30 30 ILE C C 30 180.286 180.286 177.745 2.541 18831 3444 1 9 . 1 1 30 30 ILE CA C 30 65.377 65.377 64.985 0.392 18831 3445 1 9 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.830 -1.390 18831 3446 1 9 . 1 1 30 30 ILE H H 30 8.614 8.614 8.494 0.120 18831 3447 1 9 . 1 1 31 31 GLN N N 31 126.930 126.930 119.253 7.677 18831 3448 1 9 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.898 0.099 18831 3449 1 9 . 1 1 31 31 GLN C C 31 178.844 178.844 177.328 1.516 18831 3450 1 9 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.414 0.771 18831 3451 1 9 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.134 -1.034 18831 3452 1 9 . 1 1 31 31 GLN H H 31 8.756 8.756 8.209 0.547 18831 3453 1 9 . 1 1 32 32 ASP N N 32 120.549 120.549 118.972 1.577 18831 3454 1 9 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.539 -0.125 18831 3455 1 9 . 1 1 32 32 ASP C C 32 177.501 177.501 177.889 -0.388 18831 3456 1 9 . 1 1 32 32 ASP CA C 32 57.031 57.031 56.217 0.814 18831 3457 1 9 . 1 1 32 32 ASP CB C 32 40.370 40.370 40.821 -0.451 18831 3458 1 9 . 1 1 32 32 ASP H H 32 8.033 8.033 7.740 0.293 18831 3459 1 9 . 1 1 33 33 LYS N N 33 113.834 113.834 117.638 -3.804 18831 3460 1 9 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.410 -0.077 18831 3461 1 9 . 1 1 33 33 LYS C C 33 178.038 178.038 177.093 0.945 18831 3462 1 9 . 1 1 33 33 LYS CA C 33 56.860 56.860 56.814 0.046 18831 3463 1 9 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.257 0.103 18831 3464 1 9 . 1 1 33 33 LYS H H 33 7.386 7.386 8.308 -0.922 18831 3465 1 9 . 1 1 34 34 THR N N 34 106.465 106.465 109.895 -3.430 18831 3466 1 9 . 1 1 34 34 THR HA H 34 4.718 4.718 4.293 0.425 18831 3467 1 9 . 1 1 34 34 THR C C 34 175.819 175.819 175.301 0.518 18831 3468 1 9 . 1 1 34 34 THR CA C 34 62.179 62.179 61.990 0.188 18831 3469 1 9 . 1 1 34 34 THR CB C 34 72.477 72.477 70.117 2.360 18831 3470 1 9 . 1 1 34 34 THR H H 34 8.263 8.263 7.711 0.552 18831 3471 1 9 . 1 1 35 35 GLY N N 35 112.744 112.744 113.546 -0.802 18831 3472 1 9 . 1 1 35 35 GLY C C 35 174.166 174.166 173.471 0.695 18831 3473 1 9 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.904 -1.298 18831 3474 1 9 . 1 1 35 35 GLY H H 35 8.810 8.810 8.191 0.619 18831 3475 1 9 . 1 1 36 36 LEU N N 36 125.200 125.200 119.247 5.953 18831 3476 1 9 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.636 -0.101 18831 3477 1 9 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.094 0.990 18831 3478 1 9 . 1 1 36 36 LEU CB C 36 42.445 42.445 42.363 0.082 18831 3479 1 9 . 1 1 36 36 LEU H H 36 7.614 7.614 7.646 -0.032 18831 3480 1 9 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.517 0.147 18831 3481 1 9 . 1 1 37 37 PRO CA C 37 60.900 60.900 62.693 -1.793 18831 3482 1 9 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.341 -0.471 18831 3483 1 9 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.390 -0.240 18831 3484 1 9 . 1 1 38 38 PRO C C 38 178.123 178.123 177.521 0.602 18831 3485 1 9 . 1 1 38 38 PRO CA C 38 65.601 65.601 64.885 0.716 18831 3486 1 9 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.997 0.403 18831 3487 1 9 . 1 1 39 39 ASP N N 39 113.380 113.380 115.308 -1.928 18831 3488 1 9 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.578 -0.101 18831 3489 1 9 . 1 1 39 39 ASP C C 39 176.823 176.823 176.903 -0.080 18831 3490 1 9 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.151 -0.101 18831 3491 1 9 . 1 1 39 39 ASP CB C 39 39.150 39.150 39.855 -0.705 18831 3492 1 9 . 1 1 39 39 ASP H H 39 8.518 8.518 8.837 -0.319 18831 3493 1 9 . 1 1 40 40 GLN N N 40 116.933 116.933 117.182 -0.249 18831 3494 1 9 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.638 -0.093 18831 3495 1 9 . 1 1 40 40 GLN C C 40 174.900 174.900 174.677 0.223 18831 3496 1 9 . 1 1 40 40 GLN CA C 40 54.940 54.940 55.232 -0.292 18831 3497 1 9 . 1 1 40 40 GLN CB C 40 29.160 29.160 29.844 -0.684 18831 3498 1 9 . 1 1 40 40 GLN H H 40 7.864 7.864 7.546 0.318 18831 3499 1 9 . 1 1 41 41 GLN N N 41 118.389 118.389 118.731 -0.342 18831 3500 1 9 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.491 -0.110 18831 3501 1 9 . 1 1 41 41 GLN C C 41 175.848 175.848 174.727 1.121 18831 3502 1 9 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.160 0.116 18831 3503 1 9 . 1 1 41 41 GLN CB C 41 30.840 30.840 30.744 0.096 18831 3504 1 9 . 1 1 41 41 GLN H H 41 7.446 7.446 7.186 0.260 18831 3505 1 9 . 1 1 42 42 ARG N N 42 123.499 123.499 123.886 -0.387 18831 3506 1 9 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.570 -0.009 18831 3507 1 9 . 1 1 42 42 ARG C C 42 173.812 173.812 174.205 -0.393 18831 3508 1 9 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.593 -0.659 18831 3509 1 9 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.842 -2.035 18831 3510 1 9 . 1 1 42 42 ARG H H 42 8.408 8.408 8.632 -0.224 18831 3511 1 9 . 1 1 43 43 LEU N N 43 124.567 124.567 124.845 -0.278 18831 3512 1 9 . 1 1 43 43 LEU HA H 43 5.361 5.361 4.942 0.419 18831 3513 1 9 . 1 1 43 43 LEU C C 43 175.353 175.353 175.393 -0.040 18831 3514 1 9 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.870 -1.297 18831 3515 1 9 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.597 0.117 18831 3516 1 9 . 1 1 43 43 LEU H H 43 8.859 8.859 8.683 0.176 18831 3517 1 9 . 1 1 44 44 ILE N N 44 122.662 122.662 122.663 -0.001 18831 3518 1 9 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.876 0.124 18831 3519 1 9 . 1 1 44 44 ILE C C 44 175.579 175.579 174.353 1.226 18831 3520 1 9 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.495 -2.185 18831 3521 1 9 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.811 -1.283 18831 3522 1 9 . 1 1 44 44 ILE H H 44 9.206 9.206 8.206 1.000 18831 3523 1 9 . 1 1 45 45 PHE N N 45 124.709 124.709 128.217 -3.508 18831 3524 1 9 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.938 0.300 18831 3525 1 9 . 1 1 45 45 PHE C C 45 174.561 174.561 175.326 -0.765 18831 3526 1 9 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.737 0.112 18831 3527 1 9 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.163 0.727 18831 3528 1 9 . 1 1 45 45 PHE H H 45 8.828 8.828 8.965 -0.137 18831 3529 1 9 . 1 1 46 46 ALA N N 46 132.860 132.860 129.629 3.231 18831 3530 1 9 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.692 0.059 18831 3531 1 9 . 1 1 46 46 ALA C C 46 177.247 177.247 176.927 0.320 18831 3532 1 9 . 1 1 46 46 ALA CA C 46 51.858 51.858 52.718 -0.860 18831 3533 1 9 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.366 -0.481 18831 3534 1 9 . 1 1 46 46 ALA H H 46 9.010 9.010 9.172 -0.162 18831 3535 1 9 . 1 1 47 47 GLY N N 47 102.630 102.630 103.238 -0.608 18831 3536 1 9 . 1 1 47 47 GLY C C 47 173.643 173.643 174.569 -0.926 18831 3537 1 9 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.065 -0.362 18831 3538 1 9 . 1 1 47 47 GLY H H 47 8.089 8.089 8.542 -0.453 18831 3539 1 9 . 1 1 48 48 LYS N N 48 122.237 122.237 122.905 -0.668 18831 3540 1 9 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.420 0.247 18831 3541 1 9 . 1 1 48 48 LYS C C 48 174.519 174.519 175.238 -0.719 18831 3542 1 9 . 1 1 48 48 LYS CA C 48 54.001 54.001 55.691 -1.690 18831 3543 1 9 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.642 -0.092 18831 3544 1 9 . 1 1 48 48 LYS H H 48 8.028 8.028 7.648 0.380 18831 3545 1 9 . 1 1 49 49 GLN N N 49 123.092 123.092 125.919 -2.827 18831 3546 1 9 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.627 -0.130 18831 3547 1 9 . 1 1 49 49 GLN C C 49 175.635 175.635 175.664 -0.029 18831 3548 1 9 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.590 -0.200 18831 3549 1 9 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.939 -1.532 18831 3550 1 9 . 1 1 49 49 GLN H H 49 8.643 8.643 8.677 -0.034 18831 3551 1 9 . 1 1 50 50 LEU N N 50 125.507 125.507 128.577 -3.070 18831 3552 1 9 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.103 0.050 18831 3553 1 9 . 1 1 50 50 LEU C C 50 176.611 176.611 176.587 0.024 18831 3554 1 9 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.548 -0.977 18831 3555 1 9 . 1 1 50 50 LEU CB C 50 40.803 40.803 41.869 -1.066 18831 3556 1 9 . 1 1 50 50 LEU H H 50 8.544 8.544 7.994 0.550 18831 3557 1 9 . 1 1 51 51 GLU N N 51 123.223 123.223 120.652 2.571 18831 3558 1 9 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.624 -0.015 18831 3559 1 9 . 1 1 51 51 GLU C C 51 175.226 175.226 174.989 0.237 18831 3560 1 9 . 1 1 51 51 GLU CA C 51 55.480 55.480 54.157 1.323 18831 3561 1 9 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.223 -1.923 18831 3562 1 9 . 1 1 51 51 GLU H H 51 8.410 8.410 9.259 -0.849 18831 3563 1 9 . 1 1 52 52 ASP N N 52 120.438 120.438 121.180 -0.742 18831 3564 1 9 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.454 -0.021 18831 3565 1 9 . 1 1 52 52 ASP CA C 52 55.992 55.992 54.763 1.229 18831 3566 1 9 . 1 1 52 52 ASP CB C 52 40.080 40.080 40.013 0.067 18831 3567 1 9 . 1 1 52 52 ASP H H 52 8.202 8.202 8.697 -0.495 18831 3568 1 9 . 1 1 53 53 GLY C C 53 174.703 174.703 173.911 0.792 18831 3569 1 9 . 1 1 53 53 GLY CA C 53 44.809 44.809 44.963 -0.154 18831 3570 1 9 . 1 1 54 54 ARG N N 54 119.424 119.424 120.989 -1.565 18831 3571 1 9 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.959 -0.163 18831 3572 1 9 . 1 1 54 54 ARG C C 54 175.226 175.226 174.887 0.339 18831 3573 1 9 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.050 -0.483 18831 3574 1 9 . 1 1 54 54 ARG CB C 54 31.960 31.960 34.553 -2.593 18831 3575 1 9 . 1 1 54 54 ARG H H 54 7.485 7.485 7.758 -0.273 18831 3576 1 9 . 1 1 55 55 THR N N 55 109.146 109.146 111.685 -2.539 18831 3577 1 9 . 1 1 55 55 THR HA H 55 5.330 5.330 4.773 0.557 18831 3578 1 9 . 1 1 55 55 THR C C 55 176.484 176.484 175.804 0.680 18831 3579 1 9 . 1 1 55 55 THR CA C 55 59.151 59.151 59.607 -0.456 18831 3580 1 9 . 1 1 55 55 THR CB C 55 71.868 71.868 70.990 0.878 18831 3581 1 9 . 1 1 55 55 THR H H 55 8.915 8.915 8.293 0.622 18831 3582 1 9 . 1 1 56 56 LEU N N 56 117.771 117.771 120.089 -2.318 18831 3583 1 9 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.167 -0.043 18831 3584 1 9 . 1 1 56 56 LEU C C 56 180.611 180.611 178.769 1.842 18831 3585 1 9 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.311 -0.336 18831 3586 1 9 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.328 -1.552 18831 3587 1 9 . 1 1 56 56 LEU H H 56 8.192 8.192 8.502 -0.310 18831 3588 1 9 . 1 1 57 57 SER N N 57 113.230 113.230 112.530 0.700 18831 3589 1 9 . 1 1 57 57 SER HA H 57 4.323 4.323 4.185 0.138 18831 3590 1 9 . 1 1 57 57 SER C C 57 178.166 178.166 175.731 2.435 18831 3591 1 9 . 1 1 57 57 SER CA C 57 60.523 60.523 61.078 -0.555 18831 3592 1 9 . 1 1 57 57 SER CB C 57 61.940 61.940 62.587 -0.647 18831 3593 1 9 . 1 1 57 57 SER H H 57 8.423 8.423 8.145 0.278 18831 3594 1 9 . 1 1 58 58 ASP N N 58 124.565 124.565 122.694 1.871 18831 3595 1 9 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.502 -0.160 18831 3596 1 9 . 1 1 58 58 ASP C C 58 177.303 177.303 178.358 -1.055 18831 3597 1 9 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.348 0.512 18831 3598 1 9 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.850 -1.063 18831 3599 1 9 . 1 1 58 58 ASP H H 58 7.945 7.945 7.562 0.383 18831 3600 1 9 . 1 1 59 59 TYR N N 59 115.843 115.843 118.578 -2.735 18831 3601 1 9 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.432 0.264 18831 3602 1 9 . 1 1 59 59 TYR C C 59 174.590 174.590 175.578 -0.988 18831 3603 1 9 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.750 -1.005 18831 3604 1 9 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.196 1.234 18831 3605 1 9 . 1 1 59 59 TYR H H 59 7.311 7.311 7.567 -0.256 18831 3606 1 9 . 1 1 60 60 ASN N N 60 115.827 115.827 115.151 0.676 18831 3607 1 9 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.357 0.050 18831 3608 1 9 . 1 1 60 60 ASN C C 60 174.165 174.165 174.537 -0.372 18831 3609 1 9 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.081 -0.498 18831 3610 1 9 . 1 1 60 60 ASN CB C 60 36.726 36.726 37.355 -0.629 18831 3611 1 9 . 1 1 60 60 ASN H H 60 8.161 8.161 7.657 0.504 18831 3612 1 9 . 1 1 61 61 ILE N N 61 118.960 118.960 119.976 -1.016 18831 3613 1 9 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.534 -0.131 18831 3614 1 9 . 1 1 61 61 ILE C C 61 174.378 174.378 175.294 -0.916 18831 3615 1 9 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.607 -0.681 18831 3616 1 9 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.436 -1.177 18831 3617 1 9 . 1 1 61 61 ILE H H 61 7.211 7.211 8.008 -0.797 18831 3618 1 9 . 1 1 62 62 GLN N N 62 124.901 124.901 125.853 -0.952 18831 3619 1 9 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.628 -0.040 18831 3620 1 9 . 1 1 62 62 GLN C C 62 175.611 175.611 175.495 0.116 18831 3621 1 9 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.891 -0.781 18831 3622 1 9 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.909 0.184 18831 3623 1 9 . 1 1 62 62 GLN H H 62 7.665 7.665 7.919 -0.254 18831 3624 1 9 . 1 1 63 63 LYS N N 63 120.318 120.318 119.707 0.611 18831 3625 1 9 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.236 -0.202 18831 3626 1 9 . 1 1 63 63 LYS C C 63 175.880 175.880 176.766 -0.886 18831 3627 1 9 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.291 1.169 18831 3628 1 9 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.063 -1.203 18831 3629 1 9 . 1 1 63 63 LYS H H 63 8.473 8.473 8.200 0.273 18831 3630 1 9 . 1 1 64 64 GLU N N 64 114.842 114.842 119.247 -4.405 18831 3631 1 9 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.450 0.976 18831 3632 1 9 . 1 1 64 64 GLU C C 64 175.202 175.202 175.463 -0.261 18831 3633 1 9 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.792 1.022 18831 3634 1 9 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.699 -2.248 18831 3635 1 9 . 1 1 64 64 GLU H H 64 9.299 9.299 7.973 1.326 18831 3636 1 9 . 1 1 65 65 SER N N 65 115.119 115.119 114.536 0.583 18831 3637 1 9 . 1 1 65 65 SER HA H 65 4.712 4.712 4.481 0.231 18831 3638 1 9 . 1 1 65 65 SER C C 65 171.974 171.974 174.416 -2.442 18831 3639 1 9 . 1 1 65 65 SER CA C 65 60.390 60.390 59.476 0.914 18831 3640 1 9 . 1 1 65 65 SER CB C 65 64.259 64.259 63.498 0.761 18831 3641 1 9 . 1 1 65 65 SER H H 65 7.778 7.778 7.394 0.384 18831 3642 1 9 . 1 1 66 66 THR N N 66 117.698 117.698 123.383 -5.685 18831 3643 1 9 . 1 1 66 66 THR HA H 66 5.342 5.342 4.724 0.618 18831 3644 1 9 . 1 1 66 66 THR C C 66 173.567 173.567 174.374 -0.807 18831 3645 1 9 . 1 1 66 66 THR CA C 66 61.850 61.850 62.953 -1.103 18831 3646 1 9 . 1 1 66 66 THR CB C 66 69.772 69.772 69.447 0.325 18831 3647 1 9 . 1 1 66 66 THR H H 66 8.764 8.764 8.679 0.085 18831 3648 1 9 . 1 1 67 67 LEU N N 67 127.655 127.655 126.730 0.925 18831 3649 1 9 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.534 0.608 18831 3650 1 9 . 1 1 67 67 LEU C C 67 175.119 175.119 176.407 -1.288 18831 3651 1 9 . 1 1 67 67 LEU CA C 67 53.220 53.220 52.929 0.291 18831 3652 1 9 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.367 0.432 18831 3653 1 9 . 1 1 67 67 LEU H H 67 9.400 9.400 7.771 1.629 18831 3654 1 9 . 1 1 68 68 HIS N N 68 120.510 120.510 115.460 5.050 18831 3655 1 9 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.896 0.527 18831 3656 1 9 . 1 1 68 68 HIS C C 68 174.246 174.246 174.514 -0.268 18831 3657 1 9 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.427 -0.345 18831 3658 1 9 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.584 0.726 18831 3659 1 9 . 1 1 68 68 HIS H H 68 9.128 9.128 8.354 0.774 18831 3660 1 9 . 1 1 69 69 ILE N N 69 120.349 120.349 126.760 -6.411 18831 3661 1 9 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.656 0.517 18831 3662 1 9 . 1 1 69 69 ILE C C 69 174.800 174.800 175.389 -0.589 18831 3663 1 9 . 1 1 69 69 ILE CA C 69 58.474 58.474 60.683 -2.209 18831 3664 1 9 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.827 1.265 18831 3665 1 9 . 1 1 69 69 ILE H H 69 8.369 8.369 7.965 0.404 18831 3666 1 9 . 1 1 70 70 VAL N N 70 126.551 126.551 128.323 -1.772 18831 3667 1 9 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.321 0.046 18831 3668 1 9 . 1 1 70 70 VAL C C 70 174.467 174.467 174.669 -0.202 18831 3669 1 9 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.656 -1.357 18831 3670 1 9 . 1 1 70 70 VAL CB C 70 33.550 33.550 32.919 0.631 18831 3671 1 9 . 1 1 70 70 VAL H H 70 8.944 8.944 8.410 0.534 18831 3672 1 9 . 1 1 71 71 TRP N N 71 125.438 125.438 130.562 -5.124 18831 3673 1 9 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.902 0.206 18831 3674 1 9 . 1 1 71 71 TRP C C 71 175.797 175.797 174.551 1.246 18831 3675 1 9 . 1 1 71 71 TRP CA C 71 55.745 55.745 57.059 -1.314 18831 3676 1 9 . 1 1 71 71 TRP CB C 71 30.099 30.099 31.050 -0.951 18831 3677 1 9 . 1 1 71 71 TRP H H 71 8.425 8.425 8.488 -0.063 18831 3678 1 9 . 1 1 72 72 ARG N N 72 125.700 125.700 127.558 -1.858 18831 3679 1 9 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.038 0.245 18831 3680 1 9 . 1 1 72 72 ARG C C 72 174.661 174.661 174.315 0.346 18831 3681 1 9 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.091 -0.034 18831 3682 1 9 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.917 -1.357 18831 3683 1 9 . 1 1 72 72 ARG H H 72 8.261 8.261 8.206 0.055 18831 3684 1 9 . 1 1 73 73 LEU N N 73 123.370 123.370 124.149 -0.779 18831 3685 1 9 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.364 -0.144 18831 3686 1 9 . 1 1 73 73 LEU C C 73 177.072 177.072 176.988 0.084 18831 3687 1 9 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.112 0.518 18831 3688 1 9 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.068 -0.426 18831 3689 1 9 . 1 1 73 73 LEU H H 73 7.901 7.901 8.182 -0.281 18831 3690 1 9 . 1 1 74 74 ARG N N 74 121.200 121.200 122.872 -1.672 18831 3691 1 9 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.311 -0.024 18831 3692 1 9 . 1 1 74 74 ARG C C 74 176.609 176.609 177.030 -0.421 18831 3693 1 9 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.260 -0.490 18831 3694 1 9 . 1 1 74 74 ARG CB C 74 29.900 29.900 30.931 -1.031 18831 3695 1 9 . 1 1 74 74 ARG H H 74 8.211 8.211 8.507 -0.296 18831 3696 1 9 . 1 1 75 75 GLY N N 75 110.833 110.833 112.605 -1.772 18831 3697 1 9 . 1 1 75 75 GLY C C 75 173.520 173.520 173.679 -0.159 18831 3698 1 9 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.749 -0.168 18831 3699 1 9 . 1 1 75 75 GLY H H 75 8.434 8.434 8.562 -0.128 18831 3700 1 10 . 1 1 2 2 GLN N N 2 121.114 121.114 121.019 0.095 18831 3701 1 10 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.074 0.290 18831 3702 1 10 . 1 1 2 2 GLN C C 2 175.892 175.892 175.562 0.330 18831 3703 1 10 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.629 -0.801 18831 3704 1 10 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.006 -1.058 18831 3705 1 10 . 1 1 2 2 GLN H H 2 8.384 8.384 8.097 0.287 18831 3706 1 10 . 1 1 3 3 ILE N N 3 114.990 114.990 112.864 2.126 18831 3707 1 10 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.294 0.016 18831 3708 1 10 . 1 1 3 3 ILE C C 3 172.645 172.645 174.196 -1.551 18831 3709 1 10 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.719 -0.944 18831 3710 1 10 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.325 0.038 18831 3711 1 10 . 1 1 3 3 ILE H H 3 8.392 8.392 7.888 0.504 18831 3712 1 10 . 1 1 4 4 PHE N N 4 118.863 118.863 122.596 -3.733 18831 3713 1 10 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.299 0.249 18831 3714 1 10 . 1 1 4 4 PHE C C 4 175.076 175.076 176.395 -1.319 18831 3715 1 10 . 1 1 4 4 PHE CA C 4 55.060 55.060 53.899 1.161 18831 3716 1 10 . 1 1 4 4 PHE CB C 4 40.410 40.410 38.841 1.569 18831 3717 1 10 . 1 1 4 4 PHE H H 4 8.731 8.731 7.764 0.967 18831 3718 1 10 . 1 1 5 5 VAL N N 5 119.550 119.550 118.762 0.788 18831 3719 1 10 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.254 0.801 18831 3720 1 10 . 1 1 5 5 VAL C C 5 174.974 174.974 174.930 0.044 18831 3721 1 10 . 1 1 5 5 VAL CA C 5 59.904 59.904 61.631 -1.727 18831 3722 1 10 . 1 1 5 5 VAL CB C 5 33.375 33.375 31.569 1.806 18831 3723 1 10 . 1 1 5 5 VAL H H 5 9.155 9.155 8.951 0.204 18831 3724 1 10 . 1 1 6 6 LYS N N 6 129.015 129.015 127.788 1.227 18831 3725 1 10 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.595 0.382 18831 3726 1 10 . 1 1 6 6 LYS C C 6 176.045 176.045 176.317 -0.272 18831 3727 1 10 . 1 1 6 6 LYS CA C 6 54.697 54.697 55.274 -0.577 18831 3728 1 10 . 1 1 6 6 LYS CB C 6 34.391 34.391 34.061 0.330 18831 3729 1 10 . 1 1 6 6 LYS H H 6 9.078 9.078 7.851 1.227 18831 3730 1 10 . 1 1 7 7 GLY N N 7 111.500 111.500 112.171 -0.671 18831 3731 1 10 . 1 1 7 7 GLY C C 7 175.552 175.552 175.164 0.388 18831 3732 1 10 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.846 0.078 18831 3733 1 10 . 1 1 7 7 GLY H H 7 8.649 8.649 8.288 0.361 18831 3734 1 10 . 1 1 8 8 LEU N N 8 120.313 120.313 118.820 1.493 18831 3735 1 10 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.190 0.113 18831 3736 1 10 . 1 1 8 8 LEU CA C 8 56.498 56.498 56.812 -0.314 18831 3737 1 10 . 1 1 8 8 LEU CB C 8 41.779 41.779 42.056 -0.278 18831 3738 1 10 . 1 1 8 8 LEU H H 8 8.562 8.562 8.653 -0.091 18831 3739 1 10 . 1 1 9 9 THR HA H 9 4.564 4.564 4.425 0.139 18831 3740 1 10 . 1 1 9 9 THR C C 9 175.093 175.093 175.513 -0.420 18831 3741 1 10 . 1 1 9 9 THR CA C 9 60.451 60.451 61.530 -1.079 18831 3742 1 10 . 1 1 9 9 THR CB C 9 69.020 69.020 69.796 -0.776 18831 3743 1 10 . 1 1 10 10 GLY N N 10 109.154 109.154 110.990 -1.836 18831 3744 1 10 . 1 1 10 10 GLY C C 10 174.039 174.039 173.951 0.088 18831 3745 1 10 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.543 0.293 18831 3746 1 10 . 1 1 10 10 GLY H H 10 8.123 8.123 7.933 0.190 18831 3747 1 10 . 1 1 11 11 LYS N N 11 120.968 120.968 120.578 0.390 18831 3748 1 10 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.381 0.419 18831 3749 1 10 . 1 1 11 11 LYS CA C 11 55.640 55.640 55.914 -0.274 18831 3750 1 10 . 1 1 11 11 LYS CB C 11 32.390 32.390 33.110 -0.720 18831 3751 1 10 . 1 1 11 11 LYS H H 11 8.021 8.021 8.167 -0.146 18831 3752 1 10 . 1 1 12 12 THR HA H 12 5.006 5.006 4.641 0.365 18831 3753 1 10 . 1 1 12 12 THR C C 12 174.362 174.362 174.762 -0.400 18831 3754 1 10 . 1 1 12 12 THR CA C 12 61.969 61.969 62.994 -1.025 18831 3755 1 10 . 1 1 12 12 THR CB C 12 61.769 61.769 69.570 -7.801 18831 3756 1 10 . 1 1 13 13 THR N N 13 124.317 124.317 116.613 7.704 18831 3757 1 10 . 1 1 13 13 THR HA H 13 4.721 4.721 4.617 0.104 18831 3758 1 10 . 1 1 13 13 THR C C 13 173.104 173.104 172.907 0.197 18831 3759 1 10 . 1 1 13 13 THR CA C 13 61.786 61.786 61.902 -0.116 18831 3760 1 10 . 1 1 13 13 THR CB C 13 70.179 70.179 71.534 -1.355 18831 3761 1 10 . 1 1 13 13 THR H H 13 9.028 9.028 8.336 0.692 18831 3762 1 10 . 1 1 14 14 THR N N 14 122.168 122.168 116.166 6.002 18831 3763 1 10 . 1 1 14 14 THR HA H 14 5.055 5.055 5.376 -0.321 18831 3764 1 10 . 1 1 14 14 THR C C 14 173.274 173.274 174.255 -0.981 18831 3765 1 10 . 1 1 14 14 THR CA C 14 61.284 61.284 60.376 0.908 18831 3766 1 10 . 1 1 14 14 THR CB C 14 69.510 69.510 70.410 -0.900 18831 3767 1 10 . 1 1 14 14 THR H H 14 8.731 8.731 8.275 0.456 18831 3768 1 10 . 1 1 15 15 LEU N N 15 125.117 125.117 123.603 1.514 18831 3769 1 10 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.658 0.114 18831 3770 1 10 . 1 1 15 15 LEU C C 15 174.702 174.702 175.810 -1.108 18831 3771 1 10 . 1 1 15 15 LEU CA C 15 52.451 52.451 54.157 -1.706 18831 3772 1 10 . 1 1 15 15 LEU CB C 15 46.271 46.271 46.011 0.260 18831 3773 1 10 . 1 1 15 15 LEU H H 15 8.912 8.912 8.279 0.633 18831 3774 1 10 . 1 1 16 16 GLU N N 16 122.278 122.278 125.201 -2.923 18831 3775 1 10 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.437 0.557 18831 3776 1 10 . 1 1 16 16 GLU C C 16 175.926 175.926 175.428 0.498 18831 3777 1 10 . 1 1 16 16 GLU CA C 16 55.060 55.060 57.115 -2.055 18831 3778 1 10 . 1 1 16 16 GLU CB C 16 28.484 28.484 29.677 -1.193 18831 3779 1 10 . 1 1 16 16 GLU H H 16 8.224 8.224 8.642 -0.418 18831 3780 1 10 . 1 1 17 17 VAL N N 17 116.959 116.959 118.447 -1.488 18831 3781 1 10 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.846 -0.070 18831 3782 1 10 . 1 1 17 17 VAL C C 17 173.767 173.767 174.697 -0.930 18831 3783 1 10 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.234 -1.029 18831 3784 1 10 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.807 1.062 18831 3785 1 10 . 1 1 17 17 VAL H H 17 8.881 8.881 8.004 0.877 18831 3786 1 10 . 1 1 18 18 GLU N N 18 118.016 118.016 121.748 -3.732 18831 3787 1 10 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.872 0.190 18831 3788 1 10 . 1 1 18 18 GLU CA C 18 52.483 52.483 52.285 0.199 18831 3789 1 10 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.476 -1.883 18831 3790 1 10 . 1 1 18 18 GLU H H 18 8.492 8.492 8.142 0.350 18831 3791 1 10 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.241 -0.059 18831 3792 1 10 . 1 1 19 19 PRO C C 19 175.297 175.297 177.120 -1.823 18831 3793 1 10 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.216 -0.326 18831 3794 1 10 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.991 -0.875 18831 3795 1 10 . 1 1 20 20 SER N N 20 103.828 103.828 109.690 -5.862 18831 3796 1 10 . 1 1 20 20 SER HA H 20 4.437 4.437 4.348 0.089 18831 3797 1 10 . 1 1 20 20 SER C C 20 174.447 174.447 174.419 0.028 18831 3798 1 10 . 1 1 20 20 SER CA C 20 56.743 56.743 58.378 -1.635 18831 3799 1 10 . 1 1 20 20 SER CB C 20 62.880 62.880 63.463 -0.583 18831 3800 1 10 . 1 1 20 20 SER H H 20 7.103 7.103 7.883 -0.780 18831 3801 1 10 . 1 1 21 21 ASP N N 21 123.913 123.913 124.912 -0.999 18831 3802 1 10 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.754 -0.016 18831 3803 1 10 . 1 1 21 21 ASP C C 21 176.402 176.402 176.185 0.217 18831 3804 1 10 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.396 0.994 18831 3805 1 10 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.460 -1.090 18831 3806 1 10 . 1 1 21 21 ASP H H 21 8.045 8.045 8.085 -0.040 18831 3807 1 10 . 1 1 22 22 THR N N 22 109.500 109.500 113.061 -3.561 18831 3808 1 10 . 1 1 22 22 THR HA H 22 4.938 4.938 4.491 0.447 18831 3809 1 10 . 1 1 22 22 THR C C 22 176.555 176.555 176.190 0.365 18831 3810 1 10 . 1 1 22 22 THR CA C 22 59.079 59.079 60.761 -1.682 18831 3811 1 10 . 1 1 22 22 THR CB C 22 70.433 70.433 70.711 -0.278 18831 3812 1 10 . 1 1 22 22 THR H H 22 7.967 7.967 8.162 -0.195 18831 3813 1 10 . 1 1 23 23 ILE N N 23 121.579 121.579 120.923 0.656 18831 3814 1 10 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.760 -0.068 18831 3815 1 10 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.215 -0.396 18831 3816 1 10 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.109 -2.189 18831 3817 1 10 . 1 1 23 23 ILE H H 23 8.628 8.628 8.229 0.399 18831 3818 1 10 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.875 0.079 18831 3819 1 10 . 1 1 24 24 GLU C C 24 179.002 179.002 178.716 0.286 18831 3820 1 10 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.118 0.212 18831 3821 1 10 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.444 -1.504 18831 3822 1 10 . 1 1 25 25 ASN N N 25 121.468 121.468 117.774 3.694 18831 3823 1 10 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.517 0.103 18831 3824 1 10 . 1 1 25 25 ASN C C 25 178.322 178.322 177.823 0.499 18831 3825 1 10 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.897 -0.653 18831 3826 1 10 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.271 -0.511 18831 3827 1 10 . 1 1 25 25 ASN H H 25 7.953 7.953 7.580 0.373 18831 3828 1 10 . 1 1 26 26 VAL N N 26 122.536 122.536 120.804 1.732 18831 3829 1 10 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.515 -0.031 18831 3830 1 10 . 1 1 26 26 VAL C C 26 177.812 177.812 178.031 -0.219 18831 3831 1 10 . 1 1 26 26 VAL CA C 26 67.046 67.046 67.095 -0.049 18831 3832 1 10 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.526 -1.226 18831 3833 1 10 . 1 1 26 26 VAL H H 26 8.312 8.312 7.758 0.554 18831 3834 1 10 . 1 1 27 27 LYS N N 27 119.303 119.303 119.507 -0.204 18831 3835 1 10 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.942 0.645 18831 3836 1 10 . 1 1 27 27 LYS C C 27 180.277 180.277 178.786 1.491 18831 3837 1 10 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.811 -0.928 18831 3838 1 10 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.086 1.017 18831 3839 1 10 . 1 1 27 27 LYS H H 27 8.742 8.742 8.496 0.246 18831 3840 1 10 . 1 1 28 28 ALA N N 28 123.505 123.505 121.301 2.204 18831 3841 1 10 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.078 0.152 18831 3842 1 10 . 1 1 28 28 ALA C C 28 180.215 180.215 179.098 1.117 18831 3843 1 10 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.781 0.059 18831 3844 1 10 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.344 -1.248 18831 3845 1 10 . 1 1 28 28 ALA H H 28 7.877 7.877 7.536 0.341 18831 3846 1 10 . 1 1 29 29 LYS N N 29 120.598 120.598 117.545 3.053 18831 3847 1 10 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.233 0.017 18831 3848 1 10 . 1 1 29 29 LYS C C 29 180.229 180.229 179.167 1.062 18831 3849 1 10 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.239 0.903 18831 3850 1 10 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.713 -0.193 18831 3851 1 10 . 1 1 29 29 LYS H H 29 7.927 7.927 7.576 0.351 18831 3852 1 10 . 1 1 30 30 ILE N N 30 121.068 121.068 121.664 -0.596 18831 3853 1 10 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.707 -0.127 18831 3854 1 10 . 1 1 30 30 ILE C C 30 180.286 180.286 177.915 2.371 18831 3855 1 10 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.209 0.168 18831 3856 1 10 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.822 -1.382 18831 3857 1 10 . 1 1 30 30 ILE H H 30 8.614 8.614 8.251 0.363 18831 3858 1 10 . 1 1 31 31 GLN N N 31 126.930 126.930 119.136 7.794 18831 3859 1 10 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.988 0.009 18831 3860 1 10 . 1 1 31 31 GLN C C 31 178.844 178.844 176.606 2.238 18831 3861 1 10 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.456 0.730 18831 3862 1 10 . 1 1 31 31 GLN CB C 31 27.100 27.100 27.848 -0.748 18831 3863 1 10 . 1 1 31 31 GLN H H 31 8.756 8.756 8.241 0.515 18831 3864 1 10 . 1 1 32 32 ASP N N 32 120.549 120.549 118.479 2.070 18831 3865 1 10 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.650 -0.236 18831 3866 1 10 . 1 1 32 32 ASP C C 32 177.501 177.501 176.999 0.502 18831 3867 1 10 . 1 1 32 32 ASP CA C 32 57.031 57.031 55.485 1.546 18831 3868 1 10 . 1 1 32 32 ASP CB C 32 40.370 40.370 41.818 -1.448 18831 3869 1 10 . 1 1 32 32 ASP H H 32 8.033 8.033 7.694 0.339 18831 3870 1 10 . 1 1 33 33 LYS N N 33 113.834 113.834 119.220 -5.386 18831 3871 1 10 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.442 -0.109 18831 3872 1 10 . 1 1 33 33 LYS C C 33 178.038 178.038 178.017 0.021 18831 3873 1 10 . 1 1 33 33 LYS CA C 33 56.860 56.860 57.315 -0.455 18831 3874 1 10 . 1 1 33 33 LYS CB C 33 33.360 33.360 34.049 -0.689 18831 3875 1 10 . 1 1 33 33 LYS H H 33 7.386 7.386 8.356 -0.970 18831 3876 1 10 . 1 1 34 34 THR N N 34 106.465 106.465 109.703 -3.238 18831 3877 1 10 . 1 1 34 34 THR HA H 34 4.718 4.718 4.357 0.361 18831 3878 1 10 . 1 1 34 34 THR C C 34 175.819 175.819 176.132 -0.313 18831 3879 1 10 . 1 1 34 34 THR CA C 34 62.179 62.179 62.229 -0.050 18831 3880 1 10 . 1 1 34 34 THR CB C 34 72.477 72.477 71.037 1.440 18831 3881 1 10 . 1 1 34 34 THR H H 34 8.263 8.263 8.060 0.203 18831 3882 1 10 . 1 1 35 35 GLY N N 35 112.744 112.744 111.817 0.927 18831 3883 1 10 . 1 1 35 35 GLY C C 35 174.166 174.166 174.176 -0.010 18831 3884 1 10 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.432 -0.826 18831 3885 1 10 . 1 1 35 35 GLY H H 35 8.810 8.810 7.958 0.852 18831 3886 1 10 . 1 1 36 36 LEU N N 36 125.200 125.200 122.176 3.024 18831 3887 1 10 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.700 -0.165 18831 3888 1 10 . 1 1 36 36 LEU CA C 36 52.084 52.084 52.249 -0.165 18831 3889 1 10 . 1 1 36 36 LEU CB C 36 42.445 42.445 42.322 0.123 18831 3890 1 10 . 1 1 36 36 LEU H H 36 7.614 7.614 7.477 0.137 18831 3891 1 10 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.720 -0.056 18831 3892 1 10 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.033 -0.133 18831 3893 1 10 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.017 -0.147 18831 3894 1 10 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.343 -0.193 18831 3895 1 10 . 1 1 38 38 PRO C C 38 178.123 178.123 178.182 -0.059 18831 3896 1 10 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.304 0.297 18831 3897 1 10 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.742 0.658 18831 3898 1 10 . 1 1 39 39 ASP N N 39 113.380 113.380 116.503 -3.123 18831 3899 1 10 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.538 -0.061 18831 3900 1 10 . 1 1 39 39 ASP C C 39 176.823 176.823 176.391 0.432 18831 3901 1 10 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.299 -0.249 18831 3902 1 10 . 1 1 39 39 ASP CB C 39 39.150 39.150 39.535 -0.385 18831 3903 1 10 . 1 1 39 39 ASP H H 39 8.518 8.518 8.648 -0.130 18831 3904 1 10 . 1 1 40 40 GLN N N 40 116.933 116.933 114.593 2.340 18831 3905 1 10 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.605 -0.060 18831 3906 1 10 . 1 1 40 40 GLN C C 40 174.900 174.900 174.846 0.054 18831 3907 1 10 . 1 1 40 40 GLN CA C 40 54.940 54.940 55.160 -0.221 18831 3908 1 10 . 1 1 40 40 GLN CB C 40 29.160 29.160 30.875 -1.715 18831 3909 1 10 . 1 1 40 40 GLN H H 40 7.864 7.864 7.711 0.153 18831 3910 1 10 . 1 1 41 41 GLN N N 41 118.389 118.389 121.704 -3.315 18831 3911 1 10 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.493 -0.112 18831 3912 1 10 . 1 1 41 41 GLN C C 41 175.848 175.848 174.099 1.749 18831 3913 1 10 . 1 1 41 41 GLN CA C 41 55.276 55.276 54.815 0.461 18831 3914 1 10 . 1 1 41 41 GLN CB C 41 30.840 30.840 29.102 1.738 18831 3915 1 10 . 1 1 41 41 GLN H H 41 7.446 7.446 7.602 -0.156 18831 3916 1 10 . 1 1 42 42 ARG N N 42 123.499 123.499 125.421 -1.922 18831 3917 1 10 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.522 0.039 18831 3918 1 10 . 1 1 42 42 ARG C C 42 173.812 173.812 174.567 -0.755 18831 3919 1 10 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.299 -0.366 18831 3920 1 10 . 1 1 42 42 ARG CB C 42 30.807 30.807 31.919 -1.112 18831 3921 1 10 . 1 1 42 42 ARG H H 42 8.408 8.408 7.982 0.426 18831 3922 1 10 . 1 1 43 43 LEU N N 43 124.567 124.567 126.669 -2.102 18831 3923 1 10 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.036 0.325 18831 3924 1 10 . 1 1 43 43 LEU C C 43 175.353 175.353 175.656 -0.303 18831 3925 1 10 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.644 -1.071 18831 3926 1 10 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.162 0.552 18831 3927 1 10 . 1 1 43 43 LEU H H 43 8.859 8.859 8.755 0.104 18831 3928 1 10 . 1 1 44 44 ILE N N 44 122.662 122.662 121.946 0.716 18831 3929 1 10 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.890 0.110 18831 3930 1 10 . 1 1 44 44 ILE C C 44 175.579 175.579 174.097 1.482 18831 3931 1 10 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.468 -2.158 18831 3932 1 10 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.803 -1.275 18831 3933 1 10 . 1 1 44 44 ILE H H 44 9.206 9.206 8.489 0.717 18831 3934 1 10 . 1 1 45 45 PHE N N 45 124.709 124.709 127.898 -3.189 18831 3935 1 10 . 1 1 45 45 PHE HA H 45 5.238 5.238 5.121 0.117 18831 3936 1 10 . 1 1 45 45 PHE C C 45 174.561 174.561 175.323 -0.762 18831 3937 1 10 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.552 0.297 18831 3938 1 10 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.431 0.459 18831 3939 1 10 . 1 1 45 45 PHE H H 45 8.828 8.828 9.059 -0.231 18831 3940 1 10 . 1 1 46 46 ALA N N 46 132.860 132.860 130.347 2.513 18831 3941 1 10 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.647 0.104 18831 3942 1 10 . 1 1 46 46 ALA C C 46 177.247 177.247 177.160 0.087 18831 3943 1 10 . 1 1 46 46 ALA CA C 46 51.858 51.858 52.865 -1.007 18831 3944 1 10 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.502 -0.617 18831 3945 1 10 . 1 1 46 46 ALA H H 46 9.010 9.010 9.106 -0.096 18831 3946 1 10 . 1 1 47 47 GLY N N 47 102.630 102.630 102.551 0.079 18831 3947 1 10 . 1 1 47 47 GLY C C 47 173.643 173.643 174.543 -0.900 18831 3948 1 10 . 1 1 47 47 GLY CA C 47 44.703 44.703 44.919 -0.216 18831 3949 1 10 . 1 1 47 47 GLY H H 47 8.089 8.089 8.486 -0.397 18831 3950 1 10 . 1 1 48 48 LYS N N 48 122.237 122.237 123.360 -1.123 18831 3951 1 10 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.349 0.318 18831 3952 1 10 . 1 1 48 48 LYS C C 48 174.519 174.519 175.597 -1.078 18831 3953 1 10 . 1 1 48 48 LYS CA C 48 54.001 54.001 55.748 -1.747 18831 3954 1 10 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.024 0.526 18831 3955 1 10 . 1 1 48 48 LYS H H 48 8.028 8.028 8.171 -0.143 18831 3956 1 10 . 1 1 49 49 GLN N N 49 123.092 123.092 125.420 -2.328 18831 3957 1 10 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.573 -0.076 18831 3958 1 10 . 1 1 49 49 GLN C C 49 175.635 175.635 175.765 -0.130 18831 3959 1 10 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.742 -0.352 18831 3960 1 10 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.738 -1.331 18831 3961 1 10 . 1 1 49 49 GLN H H 49 8.643 8.643 8.749 -0.106 18831 3962 1 10 . 1 1 50 50 LEU N N 50 125.507 125.507 127.668 -2.161 18831 3963 1 10 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.114 0.039 18831 3964 1 10 . 1 1 50 50 LEU C C 50 176.611 176.611 176.295 0.316 18831 3965 1 10 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.735 -1.164 18831 3966 1 10 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.333 -1.530 18831 3967 1 10 . 1 1 50 50 LEU H H 50 8.544 8.544 8.183 0.361 18831 3968 1 10 . 1 1 51 51 GLU N N 51 123.223 123.223 120.581 2.642 18831 3969 1 10 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.636 -0.027 18831 3970 1 10 . 1 1 51 51 GLU C C 51 175.226 175.226 174.909 0.317 18831 3971 1 10 . 1 1 51 51 GLU CA C 51 55.480 55.480 55.178 0.302 18831 3972 1 10 . 1 1 51 51 GLU CB C 51 31.300 31.300 34.204 -2.904 18831 3973 1 10 . 1 1 51 51 GLU H H 51 8.410 8.410 9.026 -0.616 18831 3974 1 10 . 1 1 52 52 ASP N N 52 120.438 120.438 121.335 -0.897 18831 3975 1 10 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.479 -0.046 18831 3976 1 10 . 1 1 52 52 ASP CA C 52 55.992 55.992 56.293 -0.301 18831 3977 1 10 . 1 1 52 52 ASP CB C 52 40.080 40.080 41.194 -1.114 18831 3978 1 10 . 1 1 52 52 ASP H H 52 8.202 8.202 8.619 -0.417 18831 3979 1 10 . 1 1 53 53 GLY C C 53 174.703 174.703 173.659 1.044 18831 3980 1 10 . 1 1 53 53 GLY CA C 53 44.809 44.809 44.885 -0.076 18831 3981 1 10 . 1 1 54 54 ARG N N 54 119.424 119.424 119.857 -0.433 18831 3982 1 10 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.882 -0.086 18831 3983 1 10 . 1 1 54 54 ARG C C 54 175.226 175.226 174.954 0.272 18831 3984 1 10 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.682 -1.115 18831 3985 1 10 . 1 1 54 54 ARG CB C 54 31.960 31.960 34.072 -2.112 18831 3986 1 10 . 1 1 54 54 ARG H H 54 7.485 7.485 7.725 -0.240 18831 3987 1 10 . 1 1 55 55 THR N N 55 109.146 109.146 112.341 -3.195 18831 3988 1 10 . 1 1 55 55 THR HA H 55 5.330 5.330 4.714 0.616 18831 3989 1 10 . 1 1 55 55 THR C C 55 176.484 176.484 175.833 0.651 18831 3990 1 10 . 1 1 55 55 THR CA C 55 59.151 59.151 59.942 -0.791 18831 3991 1 10 . 1 1 55 55 THR CB C 55 71.868 71.868 70.635 1.233 18831 3992 1 10 . 1 1 55 55 THR H H 55 8.915 8.915 8.678 0.237 18831 3993 1 10 . 1 1 56 56 LEU N N 56 117.771 117.771 120.202 -2.431 18831 3994 1 10 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.232 -0.108 18831 3995 1 10 . 1 1 56 56 LEU C C 56 180.611 180.611 178.570 2.041 18831 3996 1 10 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.170 -0.195 18831 3997 1 10 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.524 -1.748 18831 3998 1 10 . 1 1 56 56 LEU H H 56 8.192 8.192 8.743 -0.551 18831 3999 1 10 . 1 1 57 57 SER N N 57 113.230 113.230 112.603 0.627 18831 4000 1 10 . 1 1 57 57 SER HA H 57 4.323 4.323 4.141 0.182 18831 4001 1 10 . 1 1 57 57 SER C C 57 178.166 178.166 175.739 2.427 18831 4002 1 10 . 1 1 57 57 SER CA C 57 60.523 60.523 60.685 -0.162 18831 4003 1 10 . 1 1 57 57 SER CB C 57 61.940 61.940 62.784 -0.844 18831 4004 1 10 . 1 1 57 57 SER H H 57 8.423 8.423 8.123 0.300 18831 4005 1 10 . 1 1 58 58 ASP N N 58 124.565 124.565 121.702 2.863 18831 4006 1 10 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.416 -0.074 18831 4007 1 10 . 1 1 58 58 ASP C C 58 177.303 177.303 177.012 0.291 18831 4008 1 10 . 1 1 58 58 ASP CA C 58 56.860 56.860 55.987 0.873 18831 4009 1 10 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.783 -0.996 18831 4010 1 10 . 1 1 58 58 ASP H H 58 7.945 7.945 7.645 0.300 18831 4011 1 10 . 1 1 59 59 TYR N N 59 115.843 115.843 116.618 -0.775 18831 4012 1 10 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.526 0.170 18831 4013 1 10 . 1 1 59 59 TYR C C 59 174.590 174.590 175.220 -0.630 18831 4014 1 10 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.776 -1.031 18831 4015 1 10 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.353 1.077 18831 4016 1 10 . 1 1 59 59 TYR H H 59 7.311 7.311 7.190 0.121 18831 4017 1 10 . 1 1 60 60 ASN N N 60 115.827 115.827 112.753 3.074 18831 4018 1 10 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.337 0.070 18831 4019 1 10 . 1 1 60 60 ASN C C 60 174.165 174.165 174.602 -0.437 18831 4020 1 10 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.370 -0.787 18831 4021 1 10 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.008 0.718 18831 4022 1 10 . 1 1 60 60 ASN H H 60 8.161 8.161 7.647 0.514 18831 4023 1 10 . 1 1 61 61 ILE N N 61 118.960 118.960 120.106 -1.146 18831 4024 1 10 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.395 0.008 18831 4025 1 10 . 1 1 61 61 ILE C C 61 174.378 174.378 175.323 -0.945 18831 4026 1 10 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.572 -0.646 18831 4027 1 10 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.556 -1.297 18831 4028 1 10 . 1 1 61 61 ILE H H 61 7.211 7.211 7.827 -0.616 18831 4029 1 10 . 1 1 62 62 GLN N N 62 124.901 124.901 125.776 -0.875 18831 4030 1 10 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.595 -0.007 18831 4031 1 10 . 1 1 62 62 GLN C C 62 175.611 175.611 175.530 0.081 18831 4032 1 10 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.897 -0.786 18831 4033 1 10 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.976 0.117 18831 4034 1 10 . 1 1 62 62 GLN H H 62 7.665 7.665 8.020 -0.355 18831 4035 1 10 . 1 1 63 63 LYS N N 63 120.318 120.318 119.604 0.714 18831 4036 1 10 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.348 -0.314 18831 4037 1 10 . 1 1 63 63 LYS C C 63 175.880 175.880 177.549 -1.669 18831 4038 1 10 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.474 0.986 18831 4039 1 10 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.104 -1.244 18831 4040 1 10 . 1 1 63 63 LYS H H 63 8.473 8.473 8.229 0.244 18831 4041 1 10 . 1 1 64 64 GLU N N 64 114.842 114.842 118.647 -3.805 18831 4042 1 10 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.455 0.971 18831 4043 1 10 . 1 1 64 64 GLU C C 64 175.202 175.202 175.342 -0.140 18831 4044 1 10 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.764 1.050 18831 4045 1 10 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.656 -2.205 18831 4046 1 10 . 1 1 64 64 GLU H H 64 9.299 9.299 8.107 1.192 18831 4047 1 10 . 1 1 65 65 SER N N 65 115.119 115.119 114.377 0.742 18831 4048 1 10 . 1 1 65 65 SER HA H 65 4.712 4.712 4.444 0.268 18831 4049 1 10 . 1 1 65 65 SER C C 65 171.974 171.974 174.394 -2.420 18831 4050 1 10 . 1 1 65 65 SER CA C 65 60.390 60.390 60.085 0.305 18831 4051 1 10 . 1 1 65 65 SER CB C 65 64.259 64.259 63.794 0.465 18831 4052 1 10 . 1 1 65 65 SER H H 65 7.778 7.778 7.224 0.554 18831 4053 1 10 . 1 1 66 66 THR N N 66 117.698 117.698 122.177 -4.479 18831 4054 1 10 . 1 1 66 66 THR HA H 66 5.342 5.342 4.688 0.654 18831 4055 1 10 . 1 1 66 66 THR C C 66 173.567 173.567 174.058 -0.491 18831 4056 1 10 . 1 1 66 66 THR CA C 66 61.850 61.850 62.241 -0.391 18831 4057 1 10 . 1 1 66 66 THR CB C 66 69.772 69.772 69.466 0.307 18831 4058 1 10 . 1 1 66 66 THR H H 66 8.764 8.764 8.382 0.382 18831 4059 1 10 . 1 1 67 67 LEU N N 67 127.655 127.655 129.017 -1.362 18831 4060 1 10 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.514 0.628 18831 4061 1 10 . 1 1 67 67 LEU C C 67 175.119 175.119 176.491 -1.372 18831 4062 1 10 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.416 -0.196 18831 4063 1 10 . 1 1 67 67 LEU CB C 67 43.799 43.799 41.158 2.641 18831 4064 1 10 . 1 1 67 67 LEU H H 67 9.400 9.400 7.965 1.435 18831 4065 1 10 . 1 1 68 68 HIS N N 68 120.510 120.510 124.105 -3.595 18831 4066 1 10 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.634 0.789 18831 4067 1 10 . 1 1 68 68 HIS C C 68 174.246 174.246 175.539 -1.293 18831 4068 1 10 . 1 1 68 68 HIS CA C 68 55.082 55.082 56.703 -1.621 18831 4069 1 10 . 1 1 68 68 HIS CB C 68 32.310 32.310 29.777 2.533 18831 4070 1 10 . 1 1 68 68 HIS H H 68 9.128 9.128 8.744 0.384 18831 4071 1 10 . 1 1 69 69 ILE N N 69 120.349 120.349 122.201 -1.852 18831 4072 1 10 . 1 1 69 69 ILE HA H 69 5.173 5.173 5.062 0.111 18831 4073 1 10 . 1 1 69 69 ILE C C 69 174.800 174.800 175.447 -0.647 18831 4074 1 10 . 1 1 69 69 ILE CA C 69 58.474 58.474 59.925 -1.451 18831 4075 1 10 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.283 1.809 18831 4076 1 10 . 1 1 69 69 ILE H H 69 8.369 8.369 7.720 0.649 18831 4077 1 10 . 1 1 70 70 VAL N N 70 126.551 126.551 127.304 -0.753 18831 4078 1 10 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.269 0.098 18831 4079 1 10 . 1 1 70 70 VAL C C 70 174.467 174.467 174.604 -0.137 18831 4080 1 10 . 1 1 70 70 VAL CA C 70 60.299 60.299 62.406 -2.107 18831 4081 1 10 . 1 1 70 70 VAL CB C 70 33.550 33.550 31.852 1.698 18831 4082 1 10 . 1 1 70 70 VAL H H 70 8.944 8.944 8.056 0.888 18831 4083 1 10 . 1 1 71 71 TRP N N 71 125.438 125.438 131.636 -6.198 18831 4084 1 10 . 1 1 71 71 TRP HA H 71 5.108 5.108 5.010 0.098 18831 4085 1 10 . 1 1 71 71 TRP C C 71 175.797 175.797 175.121 0.676 18831 4086 1 10 . 1 1 71 71 TRP CA C 71 55.745 55.745 56.198 -0.453 18831 4087 1 10 . 1 1 71 71 TRP CB C 71 30.099 30.099 30.739 -0.640 18831 4088 1 10 . 1 1 71 71 TRP H H 71 8.425 8.425 8.555 -0.130 18831 4089 1 10 . 1 1 72 72 ARG N N 72 125.700 125.700 128.370 -2.670 18831 4090 1 10 . 1 1 72 72 ARG HA H 72 4.283 4.283 3.824 0.459 18831 4091 1 10 . 1 1 72 72 ARG C C 72 174.661 174.661 173.941 0.720 18831 4092 1 10 . 1 1 72 72 ARG CA C 72 55.057 55.057 56.016 -0.959 18831 4093 1 10 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.529 -0.969 18831 4094 1 10 . 1 1 72 72 ARG H H 72 8.261 8.261 8.032 0.229 18831 4095 1 10 . 1 1 73 73 LEU N N 73 123.370 123.370 124.627 -1.257 18831 4096 1 10 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.328 -0.108 18831 4097 1 10 . 1 1 73 73 LEU C C 73 177.072 177.072 178.486 -1.414 18831 4098 1 10 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.282 0.348 18831 4099 1 10 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.473 -0.831 18831 4100 1 10 . 1 1 73 73 LEU H H 73 7.901 7.901 7.940 -0.039 18831 4101 1 10 . 1 1 74 74 ARG N N 74 121.200 121.200 121.580 -0.380 18831 4102 1 10 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.072 0.215 18831 4103 1 10 . 1 1 74 74 ARG C C 74 176.609 176.609 176.837 -0.228 18831 4104 1 10 . 1 1 74 74 ARG CA C 74 55.770 55.770 57.014 -1.244 18831 4105 1 10 . 1 1 74 74 ARG CB C 74 29.900 29.900 30.323 -0.423 18831 4106 1 10 . 1 1 74 74 ARG H H 74 8.211 8.211 8.566 -0.355 18831 4107 1 10 . 1 1 75 75 GLY N N 75 110.833 110.833 108.057 2.776 18831 4108 1 10 . 1 1 75 75 GLY C C 75 173.520 173.520 173.792 -0.272 18831 4109 1 10 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.639 -0.058 18831 4110 1 10 . 1 1 75 75 GLY H H 75 8.434 8.434 8.087 0.347 18831 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 67 2.843 0.441 2.830 18831 2 1 1 "Average Difference" HA 80 0.329 -0.197 0.265 18831 3 1 1 "Average Difference" C 67 0.959 0.022 0.966 18831 4 1 1 "Average Difference" CA 74 0.930 0.491 0.795 18831 5 1 1 "Average Difference" CB 68 1.489 0.497 1.414 18831 6 1 1 "Average Difference" HN 67 0.575 -0.220 0.535 18831 7 1 2 "Average Difference" N 67 2.942 0.323 2.946 18831 8 1 2 "Average Difference" HA 80 0.322 -0.209 0.247 18831 9 1 2 "Average Difference" C 67 1.042 0.098 1.045 18831 10 1 2 "Average Difference" CA 74 1.069 0.540 0.929 18831 11 1 2 "Average Difference" CB 68 1.497 0.489 1.425 18831 12 1 2 "Average Difference" HN 67 0.553 -0.215 0.514 18831 13 1 3 "Average Difference" N 67 2.923 0.119 2.943 18831 14 1 3 "Average Difference" HA 80 0.332 -0.187 0.276 18831 15 1 3 "Average Difference" C 67 1.055 -0.005 1.063 18831 16 1 3 "Average Difference" CA 74 1.167 0.493 1.065 18831 17 1 3 "Average Difference" CB 68 1.541 0.492 1.471 18831 18 1 3 "Average Difference" HN 67 0.539 -0.205 0.503 18831 19 1 4 "Average Difference" N 67 2.771 0.252 2.781 18831 20 1 4 "Average Difference" HA 80 0.325 -0.192 0.264 18831 21 1 4 "Average Difference" C 67 1.005 0.007 1.013 18831 22 1 4 "Average Difference" CA 74 1.025 0.512 0.894 18831 23 1 4 "Average Difference" CB 68 1.550 0.528 1.468 18831 24 1 4 "Average Difference" HN 67 0.566 -0.241 0.516 18831 25 1 5 "Average Difference" N 67 3.010 0.487 2.993 18831 26 1 5 "Average Difference" HA 80 0.330 -0.205 0.260 18831 27 1 5 "Average Difference" C 67 1.058 0.015 1.065 18831 28 1 5 "Average Difference" CA 74 1.086 0.545 0.945 18831 29 1 5 "Average Difference" CB 68 1.590 0.498 1.521 18831 30 1 5 "Average Difference" HN 67 0.539 -0.232 0.490 18831 31 1 6 "Average Difference" N 67 2.595 0.394 2.584 18831 32 1 6 "Average Difference" HA 80 0.324 -0.203 0.254 18831 33 1 6 "Average Difference" C 67 0.994 0.037 1.001 18831 34 1 6 "Average Difference" CA 74 1.050 0.475 0.943 18831 35 1 6 "Average Difference" CB 68 1.467 0.457 1.404 18831 36 1 6 "Average Difference" HN 67 0.557 -0.241 0.506 18831 37 1 7 "Average Difference" N 67 2.894 0.310 2.899 18831 38 1 7 "Average Difference" HA 80 0.319 -0.171 0.270 18831 39 1 7 "Average Difference" C 67 1.008 -0.016 1.016 18831 40 1 7 "Average Difference" CA 74 0.991 0.459 0.885 18831 41 1 7 "Average Difference" CB 68 1.467 0.491 1.392 18831 42 1 7 "Average Difference" HN 67 0.521 -0.183 0.491 18831 43 1 8 "Average Difference" N 67 2.884 -0.046 2.906 18831 44 1 8 "Average Difference" HA 80 0.308 -0.175 0.255 18831 45 1 8 "Average Difference" C 67 0.981 -0.050 0.987 18831 46 1 8 "Average Difference" CA 74 0.998 0.419 0.912 18831 47 1 8 "Average Difference" CB 68 1.521 0.570 1.420 18831 48 1 8 "Average Difference" HN 67 0.534 -0.222 0.489 18831 49 1 9 "Average Difference" N 67 2.877 0.587 2.837 18831 50 1 9 "Average Difference" HA 80 0.321 -0.185 0.264 18831 51 1 9 "Average Difference" C 67 0.944 -0.023 0.951 18831 52 1 9 "Average Difference" CA 74 0.979 0.379 0.909 18831 53 1 9 "Average Difference" CB 68 1.448 0.523 1.360 18831 54 1 9 "Average Difference" HN 67 0.558 -0.192 0.528 18831 55 1 10 "Average Difference" N 67 2.892 0.358 2.891 18831 56 1 10 "Average Difference" HA 80 0.327 -0.174 0.279 18831 57 1 10 "Average Difference" C 67 0.990 0.016 0.998 18831 58 1 10 "Average Difference" CA 74 0.919 0.401 0.832 18831 59 1 10 "Average Difference" CB 68 1.561 0.459 1.503 18831 60 1 10 "Average Difference" HN 67 0.514 -0.205 0.475 18831 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 18831 _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 GLN N N 2 121.114 121.114 121.426 -0.312 18831 2 1 . 1 1 2 2 GLN HA H 2 5.364 5.364 5.238 0.126 18831 3 1 . 1 1 2 2 GLN C C 2 175.892 175.892 175.695 0.197 18831 4 1 . 1 1 2 2 GLN CA C 2 53.828 53.828 54.559 -0.731 18831 5 1 . 1 1 2 2 GLN CB C 2 29.948 29.948 31.171 -1.223 18831 6 1 . 1 1 2 2 GLN H H 2 8.384 8.384 8.253 0.131 18831 7 1 . 1 1 3 3 ILE N N 3 114.990 114.990 112.753 2.237 18831 8 1 . 1 1 3 3 ILE HA H 3 4.310 4.310 4.263 0.047 18831 9 1 . 1 1 3 3 ILE C C 3 172.645 172.645 174.002 -1.357 18831 10 1 . 1 1 3 3 ILE CA C 3 58.775 58.775 59.784 -1.009 18831 11 1 . 1 1 3 3 ILE CB C 3 41.364 41.364 41.506 -0.142 18831 12 1 . 1 1 3 3 ILE H H 3 8.392 8.392 8.039 0.353 18831 13 1 . 1 1 4 4 PHE N N 4 118.863 118.863 121.889 -3.026 18831 14 1 . 1 1 4 4 PHE HA H 4 5.548 5.548 5.070 0.478 18831 15 1 . 1 1 4 4 PHE C C 4 175.076 175.076 175.865 -0.789 18831 16 1 . 1 1 4 4 PHE CA C 4 55.060 55.060 54.341 0.718 18831 17 1 . 1 1 4 4 PHE CB C 4 40.410 40.410 38.978 1.433 18831 18 1 . 1 1 4 4 PHE H H 4 8.731 8.731 7.894 0.838 18831 19 1 . 1 1 5 5 VAL N N 5 119.550 119.550 117.671 1.879 18831 20 1 . 1 1 5 5 VAL HA H 5 5.055 5.055 4.464 0.591 18831 21 1 . 1 1 5 5 VAL C C 5 174.974 174.974 175.014 -0.040 18831 22 1 . 1 1 5 5 VAL CA C 5 59.904 59.904 60.732 -0.828 18831 23 1 . 1 1 5 5 VAL CB C 5 33.375 33.375 32.819 0.556 18831 24 1 . 1 1 5 5 VAL H H 5 9.155 9.155 8.394 0.761 18831 25 1 . 1 1 6 6 LYS N N 6 129.015 129.015 127.378 1.637 18831 26 1 . 1 1 6 6 LYS HA H 6 4.977 4.977 4.482 0.494 18831 27 1 . 1 1 6 6 LYS C C 6 176.045 176.045 176.455 -0.410 18831 28 1 . 1 1 6 6 LYS CA C 6 54.697 54.697 55.863 -1.166 18831 29 1 . 1 1 6 6 LYS CB C 6 34.391 34.391 33.313 1.078 18831 30 1 . 1 1 6 6 LYS H H 6 9.078 9.078 8.169 0.909 18831 31 1 . 1 1 7 7 GLY N N 7 111.500 111.500 112.180 -0.679 18831 32 1 . 1 1 7 7 GLY C C 7 175.552 175.552 175.124 0.428 18831 33 1 . 1 1 7 7 GLY CA C 7 43.924 43.924 43.986 -0.062 18831 34 1 . 1 1 7 7 GLY H H 7 8.649 8.649 8.088 0.561 18831 35 1 . 1 1 8 8 LEU N N 8 120.313 120.313 119.338 0.975 18831 36 1 . 1 1 8 8 LEU HA H 8 4.303 4.303 4.189 0.114 18831 37 1 . 1 1 8 8 LEU CA C 8 56.498 56.498 57.151 -0.653 18831 38 1 . 1 1 8 8 LEU CB C 8 41.779 41.779 41.953 -0.174 18831 39 1 . 1 1 8 8 LEU H H 8 8.562 8.562 8.594 -0.032 18831 40 1 . 1 1 9 9 THR HA H 9 4.564 4.564 4.285 0.279 18831 41 1 . 1 1 9 9 THR C C 9 175.093 175.093 175.510 -0.417 18831 42 1 . 1 1 9 9 THR CA C 9 60.451 60.451 62.526 -2.075 18831 43 1 . 1 1 9 9 THR CB C 9 69.020 69.020 69.164 -0.144 18831 44 1 . 1 1 10 10 GLY N N 10 109.154 109.154 109.851 -0.697 18831 45 1 . 1 1 10 10 GLY C C 10 174.039 174.039 174.002 0.037 18831 46 1 . 1 1 10 10 GLY CA C 10 44.836 44.836 44.798 0.038 18831 47 1 . 1 1 10 10 GLY H H 10 8.123 8.123 7.791 0.332 18831 48 1 . 1 1 11 11 LYS N N 11 120.968 120.968 121.687 -0.719 18831 49 1 . 1 1 11 11 LYS HA H 11 4.800 4.800 4.384 0.416 18831 50 1 . 1 1 11 11 LYS CA C 11 55.640 55.640 55.972 -0.332 18831 51 1 . 1 1 11 11 LYS CB C 11 32.390 32.390 33.170 -0.780 18831 52 1 . 1 1 11 11 LYS H H 11 8.021 8.021 7.944 0.077 18831 53 1 . 1 1 12 12 THR HA H 12 5.006 5.006 4.923 0.083 18831 54 1 . 1 1 12 12 THR C C 12 174.362 174.362 175.024 -0.662 18831 55 1 . 1 1 12 12 THR CA C 12 61.969 61.969 61.561 0.408 18831 56 1 . 1 1 12 12 THR CB C 12 61.769 61.769 69.758 -7.989 18831 57 1 . 1 1 13 13 THR N N 13 124.317 124.317 119.793 4.524 18831 58 1 . 1 1 13 13 THR HA H 13 4.721 4.721 4.624 0.097 18831 59 1 . 1 1 13 13 THR C C 13 173.104 173.104 173.849 -0.745 18831 60 1 . 1 1 13 13 THR CA C 13 61.786 61.786 61.671 0.115 18831 61 1 . 1 1 13 13 THR CB C 13 70.179 70.179 71.323 -1.144 18831 62 1 . 1 1 13 13 THR H H 13 9.028 9.028 8.228 0.800 18831 63 1 . 1 1 14 14 THR N N 14 122.168 122.168 118.960 3.208 18831 64 1 . 1 1 14 14 THR HA H 14 5.055 5.055 5.030 0.025 18831 65 1 . 1 1 14 14 THR C C 14 173.274 173.274 174.069 -0.795 18831 66 1 . 1 1 14 14 THR CA C 14 61.284 61.284 61.729 -0.445 18831 67 1 . 1 1 14 14 THR CB C 14 69.510 69.510 69.441 0.069 18831 68 1 . 1 1 14 14 THR H H 14 8.731 8.731 8.508 0.223 18831 69 1 . 1 1 15 15 LEU N N 15 125.117 125.117 125.926 -0.809 18831 70 1 . 1 1 15 15 LEU HA H 15 4.772 4.772 4.671 0.101 18831 71 1 . 1 1 15 15 LEU C C 15 174.702 174.702 175.719 -1.017 18831 72 1 . 1 1 15 15 LEU CA C 15 52.451 52.451 53.839 -1.388 18831 73 1 . 1 1 15 15 LEU CB C 15 46.271 46.271 45.218 1.053 18831 74 1 . 1 1 15 15 LEU H H 15 8.912 8.912 8.520 0.392 18831 75 1 . 1 1 16 16 GLU N N 16 122.278 122.278 123.729 -1.451 18831 76 1 . 1 1 16 16 GLU HA H 16 4.994 4.994 4.525 0.469 18831 77 1 . 1 1 16 16 GLU C C 16 175.926 175.926 175.500 0.426 18831 78 1 . 1 1 16 16 GLU CA C 16 55.060 55.060 56.354 -1.294 18831 79 1 . 1 1 16 16 GLU CB C 16 28.484 28.484 29.992 -1.508 18831 80 1 . 1 1 16 16 GLU H H 16 8.224 8.224 8.631 -0.407 18831 81 1 . 1 1 17 17 VAL N N 17 116.959 116.959 120.030 -3.071 18831 82 1 . 1 1 17 17 VAL HA H 17 4.776 4.776 4.563 0.213 18831 83 1 . 1 1 17 17 VAL C C 17 173.767 173.767 174.187 -0.420 18831 84 1 . 1 1 17 17 VAL CA C 17 58.205 58.205 59.828 -1.623 18831 85 1 . 1 1 17 17 VAL CB C 17 35.869 35.869 34.875 0.994 18831 86 1 . 1 1 17 17 VAL H H 17 8.881 8.881 7.865 1.016 18831 87 1 . 1 1 18 18 GLU N N 18 118.016 118.016 120.352 -2.336 18831 88 1 . 1 1 18 18 GLU HA H 18 5.062 5.062 4.729 0.333 18831 89 1 . 1 1 18 18 GLU CA C 18 52.483 52.483 53.086 -0.602 18831 90 1 . 1 1 18 18 GLU CB C 18 30.593 30.593 32.237 -1.644 18831 91 1 . 1 1 18 18 GLU H H 18 8.492 8.492 8.423 0.069 18831 92 1 . 1 1 19 19 PRO HA H 19 4.182 4.182 4.115 0.067 18831 93 1 . 1 1 19 19 PRO C C 19 175.297 175.297 177.863 -2.566 18831 94 1 . 1 1 19 19 PRO CA C 19 64.890 64.890 65.908 -1.018 18831 95 1 . 1 1 19 19 PRO CB C 19 31.116 31.116 31.972 -0.856 18831 96 1 . 1 1 20 20 SER N N 20 103.828 103.828 109.786 -5.958 18831 97 1 . 1 1 20 20 SER HA H 20 4.437 4.437 4.241 0.196 18831 98 1 . 1 1 20 20 SER C C 20 174.447 174.447 174.570 -0.123 18831 99 1 . 1 1 20 20 SER CA C 20 56.743 56.743 59.540 -2.798 18831 100 1 . 1 1 20 20 SER CB C 20 62.880 62.880 62.908 -0.028 18831 101 1 . 1 1 20 20 SER H H 20 7.103 7.103 8.203 -1.100 18831 102 1 . 1 1 21 21 ASP N N 21 123.913 123.913 123.918 -0.005 18831 103 1 . 1 1 21 21 ASP HA H 21 4.738 4.738 4.590 0.148 18831 104 1 . 1 1 21 21 ASP C C 21 176.402 176.402 175.920 0.482 18831 105 1 . 1 1 21 21 ASP CA C 21 55.390 55.390 54.793 0.597 18831 106 1 . 1 1 21 21 ASP CB C 21 40.370 40.370 41.580 -1.210 18831 107 1 . 1 1 21 21 ASP H H 21 8.045 8.045 7.900 0.144 18831 108 1 . 1 1 22 22 THR N N 22 109.500 109.500 114.677 -5.177 18831 109 1 . 1 1 22 22 THR HA H 22 4.938 4.938 4.447 0.491 18831 110 1 . 1 1 22 22 THR C C 22 176.555 176.555 176.042 0.512 18831 111 1 . 1 1 22 22 THR CA C 22 59.079 59.079 60.932 -1.853 18831 112 1 . 1 1 22 22 THR CB C 22 70.433 70.433 70.865 -0.432 18831 113 1 . 1 1 22 22 THR H H 22 7.967 7.967 7.882 0.085 18831 114 1 . 1 1 23 23 ILE N N 23 121.579 121.579 121.521 0.058 18831 115 1 . 1 1 23 23 ILE HA H 23 3.692 3.692 3.754 -0.062 18831 116 1 . 1 1 23 23 ILE CA C 23 61.819 61.819 62.647 -0.828 18831 117 1 . 1 1 23 23 ILE CB C 23 33.920 33.920 36.333 -2.413 18831 118 1 . 1 1 23 23 ILE H H 23 8.628 8.628 8.173 0.455 18831 119 1 . 1 1 24 24 GLU HA H 24 3.954 3.954 3.848 0.106 18831 120 1 . 1 1 24 24 GLU C C 24 179.002 179.002 178.704 0.298 18831 121 1 . 1 1 24 24 GLU CA C 24 60.330 60.330 60.003 0.327 18831 122 1 . 1 1 24 24 GLU CB C 24 27.940 27.940 29.263 -1.323 18831 123 1 . 1 1 25 25 ASN N N 25 121.468 121.468 117.699 3.769 18831 124 1 . 1 1 25 25 ASN HA H 25 4.620 4.620 4.515 0.105 18831 125 1 . 1 1 25 25 ASN C C 25 178.322 178.322 177.729 0.593 18831 126 1 . 1 1 25 25 ASN CA C 25 55.244 55.244 55.927 -0.683 18831 127 1 . 1 1 25 25 ASN CB C 25 37.760 37.760 38.372 -0.612 18831 128 1 . 1 1 25 25 ASN H H 25 7.953 7.953 7.548 0.405 18831 129 1 . 1 1 26 26 VAL N N 26 122.536 122.536 120.814 1.722 18831 130 1 . 1 1 26 26 VAL HA H 26 3.484 3.484 3.486 -0.002 18831 131 1 . 1 1 26 26 VAL C C 26 177.812 177.812 178.106 -0.294 18831 132 1 . 1 1 26 26 VAL CA C 26 67.046 67.046 66.976 0.070 18831 133 1 . 1 1 26 26 VAL CB C 26 30.300 30.300 31.424 -1.124 18831 134 1 . 1 1 26 26 VAL H H 26 8.312 8.312 7.619 0.693 18831 135 1 . 1 1 27 27 LYS N N 27 119.303 119.303 119.226 0.077 18831 136 1 . 1 1 27 27 LYS HA H 27 4.587 4.587 3.948 0.639 18831 137 1 . 1 1 27 27 LYS C C 27 180.277 180.277 178.813 1.464 18831 138 1 . 1 1 27 27 LYS CA C 27 58.883 58.883 59.801 -0.918 18831 139 1 . 1 1 27 27 LYS CB C 27 33.103 33.103 32.071 1.032 18831 140 1 . 1 1 27 27 LYS H H 27 8.742 8.742 8.441 0.301 18831 141 1 . 1 1 28 28 ALA N N 28 123.505 123.505 122.102 1.403 18831 142 1 . 1 1 28 28 ALA HA H 28 4.230 4.230 4.118 0.112 18831 143 1 . 1 1 28 28 ALA C C 28 180.215 180.215 179.051 1.164 18831 144 1 . 1 1 28 28 ALA CA C 28 54.840 54.840 54.721 0.119 18831 145 1 . 1 1 28 28 ALA CB C 28 17.096 17.096 18.391 -1.295 18831 146 1 . 1 1 28 28 ALA H H 28 7.877 7.877 7.527 0.350 18831 147 1 . 1 1 29 29 LYS N N 29 120.598 120.598 117.817 2.782 18831 148 1 . 1 1 29 29 LYS HA H 29 4.250 4.250 4.161 0.089 18831 149 1 . 1 1 29 29 LYS C C 29 180.229 180.229 179.376 0.853 18831 150 1 . 1 1 29 29 LYS CA C 29 59.142 59.142 58.673 0.470 18831 151 1 . 1 1 29 29 LYS CB C 29 32.520 32.520 32.534 -0.014 18831 152 1 . 1 1 29 29 LYS H H 29 7.927 7.927 7.805 0.122 18831 153 1 . 1 1 30 30 ILE N N 30 121.068 121.068 121.141 -0.073 18831 154 1 . 1 1 30 30 ILE HA H 30 3.580 3.580 3.674 -0.094 18831 155 1 . 1 1 30 30 ILE C C 30 180.286 180.286 177.497 2.789 18831 156 1 . 1 1 30 30 ILE CA C 30 65.377 65.377 65.075 0.302 18831 157 1 . 1 1 30 30 ILE CB C 30 36.440 36.440 37.864 -1.424 18831 158 1 . 1 1 30 30 ILE H H 30 8.614 8.614 8.266 0.348 18831 159 1 . 1 1 31 31 GLN N N 31 126.930 126.930 119.079 7.851 18831 160 1 . 1 1 31 31 GLN HA H 31 3.997 3.997 3.947 0.050 18831 161 1 . 1 1 31 31 GLN C C 31 178.844 178.844 177.100 1.744 18831 162 1 . 1 1 31 31 GLN CA C 31 59.186 59.186 58.427 0.759 18831 163 1 . 1 1 31 31 GLN CB C 31 27.100 27.100 28.187 -1.087 18831 164 1 . 1 1 31 31 GLN H H 31 8.756 8.756 8.291 0.465 18831 165 1 . 1 1 32 32 ASP N N 32 120.549 120.549 118.648 1.901 18831 166 1 . 1 1 32 32 ASP HA H 32 4.414 4.414 4.592 -0.178 18831 167 1 . 1 1 32 32 ASP C C 32 177.501 177.501 177.558 -0.057 18831 168 1 . 1 1 32 32 ASP CA C 32 57.031 57.031 55.920 1.111 18831 169 1 . 1 1 32 32 ASP CB C 32 40.370 40.370 41.059 -0.689 18831 170 1 . 1 1 32 32 ASP H H 32 8.033 8.033 7.677 0.356 18831 171 1 . 1 1 33 33 LYS N N 33 113.834 113.834 118.428 -4.594 18831 172 1 . 1 1 33 33 LYS HA H 33 4.333 4.333 4.330 0.003 18831 173 1 . 1 1 33 33 LYS C C 33 178.038 178.038 177.820 0.218 18831 174 1 . 1 1 33 33 LYS CA C 33 56.860 56.860 57.578 -0.718 18831 175 1 . 1 1 33 33 LYS CB C 33 33.360 33.360 33.481 -0.121 18831 176 1 . 1 1 33 33 LYS H H 33 7.386 7.386 8.025 -0.639 18831 177 1 . 1 1 34 34 THR N N 34 106.465 106.465 109.042 -2.577 18831 178 1 . 1 1 34 34 THR HA H 34 4.718 4.718 4.360 0.358 18831 179 1 . 1 1 34 34 THR C C 34 175.819 175.819 175.819 -0.000 18831 180 1 . 1 1 34 34 THR CA C 34 62.179 62.179 62.246 -0.067 18831 181 1 . 1 1 34 34 THR CB C 34 72.477 72.477 70.381 2.096 18831 182 1 . 1 1 34 34 THR H H 34 8.263 8.263 8.086 0.177 18831 183 1 . 1 1 35 35 GLY N N 35 112.744 112.744 111.974 0.770 18831 184 1 . 1 1 35 35 GLY C C 35 174.166 174.166 173.899 0.267 18831 185 1 . 1 1 35 35 GLY CA C 35 44.606 44.606 45.673 -1.067 18831 186 1 . 1 1 35 35 GLY H H 35 8.810 8.810 7.912 0.898 18831 187 1 . 1 1 36 36 LEU N N 36 125.200 125.200 121.050 4.150 18831 188 1 . 1 1 36 36 LEU HA H 36 4.535 4.535 4.579 -0.044 18831 189 1 . 1 1 36 36 LEU CA C 36 52.084 52.084 51.830 0.254 18831 190 1 . 1 1 36 36 LEU CB C 36 42.445 42.445 42.140 0.305 18831 191 1 . 1 1 36 36 LEU H H 36 7.614 7.614 7.538 0.076 18831 192 1 . 1 1 37 37 PRO HA H 37 4.664 4.664 4.618 0.046 18831 193 1 . 1 1 37 37 PRO CA C 37 60.900 60.900 61.678 -0.778 18831 194 1 . 1 1 37 37 PRO CB C 37 30.870 30.870 31.089 -0.219 18831 195 1 . 1 1 38 38 PRO HA H 38 4.150 4.150 4.376 -0.226 18831 196 1 . 1 1 38 38 PRO C C 38 178.123 178.123 177.620 0.503 18831 197 1 . 1 1 38 38 PRO CA C 38 65.601 65.601 65.272 0.329 18831 198 1 . 1 1 38 38 PRO CB C 38 32.400 32.400 31.758 0.642 18831 199 1 . 1 1 39 39 ASP N N 39 113.380 113.380 115.361 -1.981 18831 200 1 . 1 1 39 39 ASP HA H 39 4.477 4.477 4.495 -0.018 18831 201 1 . 1 1 39 39 ASP C C 39 176.823 176.823 176.634 0.189 18831 202 1 . 1 1 39 39 ASP CA C 39 55.050 55.050 55.305 -0.255 18831 203 1 . 1 1 39 39 ASP CB C 39 39.150 39.150 39.521 -0.370 18831 204 1 . 1 1 39 39 ASP H H 39 8.518 8.518 8.656 -0.138 18831 205 1 . 1 1 40 40 GLN N N 40 116.933 116.933 117.196 -0.263 18831 206 1 . 1 1 40 40 GLN HA H 40 4.545 4.545 4.550 -0.005 18831 207 1 . 1 1 40 40 GLN C C 40 174.900 174.900 175.432 -0.532 18831 208 1 . 1 1 40 40 GLN CA C 40 54.940 54.940 55.440 -0.500 18831 209 1 . 1 1 40 40 GLN CB C 40 29.160 29.160 30.064 -0.904 18831 210 1 . 1 1 40 40 GLN H H 40 7.864 7.864 7.594 0.270 18831 211 1 . 1 1 41 41 GLN N N 41 118.389 118.389 119.567 -1.179 18831 212 1 . 1 1 41 41 GLN HA H 41 4.381 4.381 4.381 0.000 18831 213 1 . 1 1 41 41 GLN C C 41 175.848 175.848 174.969 0.879 18831 214 1 . 1 1 41 41 GLN CA C 41 55.276 55.276 55.779 -0.503 18831 215 1 . 1 1 41 41 GLN CB C 41 30.840 30.840 29.935 0.905 18831 216 1 . 1 1 41 41 GLN H H 41 7.446 7.446 7.495 -0.049 18831 217 1 . 1 1 42 42 ARG N N 42 123.499 123.499 123.623 -0.124 18831 218 1 . 1 1 42 42 ARG HA H 42 4.561 4.561 4.558 0.003 18831 219 1 . 1 1 42 42 ARG C C 42 173.812 173.812 174.022 -0.210 18831 220 1 . 1 1 42 42 ARG CA C 42 54.933 54.933 55.666 -0.733 18831 221 1 . 1 1 42 42 ARG CB C 42 30.807 30.807 32.647 -1.840 18831 222 1 . 1 1 42 42 ARG H H 42 8.408 8.408 8.515 -0.107 18831 223 1 . 1 1 43 43 LEU N N 43 124.567 124.567 125.956 -1.389 18831 224 1 . 1 1 43 43 LEU HA H 43 5.361 5.361 5.015 0.346 18831 225 1 . 1 1 43 43 LEU C C 43 175.353 175.353 175.490 -0.137 18831 226 1 . 1 1 43 43 LEU CA C 43 52.573 52.573 53.597 -1.024 18831 227 1 . 1 1 43 43 LEU CB C 43 44.714 44.714 44.659 0.055 18831 228 1 . 1 1 43 43 LEU H H 43 8.859 8.859 8.704 0.155 18831 229 1 . 1 1 44 44 ILE N N 44 122.662 122.662 122.039 0.623 18831 230 1 . 1 1 44 44 ILE HA H 44 5.000 5.000 4.863 0.137 18831 231 1 . 1 1 44 44 ILE C C 44 175.579 175.579 174.364 1.215 18831 232 1 . 1 1 44 44 ILE CA C 44 58.310 58.310 60.473 -2.164 18831 233 1 . 1 1 44 44 ILE CB C 44 40.528 40.528 41.802 -1.274 18831 234 1 . 1 1 44 44 ILE H H 44 9.206 9.206 8.241 0.965 18831 235 1 . 1 1 45 45 PHE N N 45 124.709 124.709 127.764 -3.055 18831 236 1 . 1 1 45 45 PHE HA H 45 5.238 5.238 4.959 0.279 18831 237 1 . 1 1 45 45 PHE C C 45 174.561 174.561 175.122 -0.561 18831 238 1 . 1 1 45 45 PHE CA C 45 55.849 55.849 55.628 0.221 18831 239 1 . 1 1 45 45 PHE CB C 45 42.890 42.890 42.824 0.066 18831 240 1 . 1 1 45 45 PHE H H 45 8.828 8.828 8.913 -0.085 18831 241 1 . 1 1 46 46 ALA N N 46 132.860 132.860 129.031 3.829 18831 242 1 . 1 1 46 46 ALA HA H 46 3.751 3.751 3.604 0.147 18831 243 1 . 1 1 46 46 ALA C C 46 177.247 177.247 177.013 0.234 18831 244 1 . 1 1 46 46 ALA CA C 46 51.858 51.858 52.992 -1.134 18831 245 1 . 1 1 46 46 ALA CB C 46 15.885 15.885 16.697 -0.812 18831 246 1 . 1 1 46 46 ALA H H 46 9.010 9.010 8.902 0.108 18831 247 1 . 1 1 47 47 GLY N N 47 102.630 102.630 103.156 -0.526 18831 248 1 . 1 1 47 47 GLY C C 47 173.643 173.643 174.804 -1.161 18831 249 1 . 1 1 47 47 GLY CA C 47 44.703 44.703 45.060 -0.357 18831 250 1 . 1 1 47 47 GLY H H 47 8.089 8.089 8.470 -0.381 18831 251 1 . 1 1 48 48 LYS N N 48 122.237 122.237 122.630 -0.393 18831 252 1 . 1 1 48 48 LYS HA H 48 4.667 4.667 4.345 0.322 18831 253 1 . 1 1 48 48 LYS C C 48 174.519 174.519 175.591 -1.072 18831 254 1 . 1 1 48 48 LYS CA C 48 54.001 54.001 56.108 -2.108 18831 255 1 . 1 1 48 48 LYS CB C 48 33.550 33.550 33.289 0.261 18831 256 1 . 1 1 48 48 LYS H H 48 8.028 8.028 7.995 0.033 18831 257 1 . 1 1 49 49 GLN N N 49 123.092 123.092 124.348 -1.256 18831 258 1 . 1 1 49 49 GLN HA H 49 4.497 4.497 4.480 0.017 18831 259 1 . 1 1 49 49 GLN C C 49 175.635 175.635 175.637 -0.003 18831 260 1 . 1 1 49 49 GLN CA C 49 55.390 55.390 55.645 -0.255 18831 261 1 . 1 1 49 49 GLN CB C 49 28.407 28.407 29.739 -1.332 18831 262 1 . 1 1 49 49 GLN H H 49 8.643 8.643 8.587 0.056 18831 263 1 . 1 1 50 50 LEU N N 50 125.507 125.507 127.776 -2.269 18831 264 1 . 1 1 50 50 LEU HA H 50 4.153 4.153 4.051 0.102 18831 265 1 . 1 1 50 50 LEU C C 50 176.611 176.611 176.264 0.347 18831 266 1 . 1 1 50 50 LEU CA C 50 53.571 53.571 54.650 -1.079 18831 267 1 . 1 1 50 50 LEU CB C 50 40.803 40.803 42.254 -1.451 18831 268 1 . 1 1 50 50 LEU H H 50 8.544 8.544 7.986 0.558 18831 269 1 . 1 1 51 51 GLU N N 51 123.223 123.223 120.813 2.410 18831 270 1 . 1 1 51 51 GLU HA H 51 4.609 4.609 4.579 0.030 18831 271 1 . 1 1 51 51 GLU C C 51 175.226 175.226 174.922 0.304 18831 272 1 . 1 1 51 51 GLU CA C 51 55.480 55.480 54.987 0.493 18831 273 1 . 1 1 51 51 GLU CB C 51 31.300 31.300 33.673 -2.373 18831 274 1 . 1 1 51 51 GLU H H 51 8.410 8.410 9.059 -0.649 18831 275 1 . 1 1 52 52 ASP N N 52 120.438 120.438 121.885 -1.447 18831 276 1 . 1 1 52 52 ASP HA H 52 4.433 4.433 4.488 -0.055 18831 277 1 . 1 1 52 52 ASP CA C 52 55.992 55.992 55.592 0.400 18831 278 1 . 1 1 52 52 ASP CB C 52 40.080 40.080 40.791 -0.711 18831 279 1 . 1 1 52 52 ASP H H 52 8.202 8.202 8.620 -0.418 18831 280 1 . 1 1 53 53 GLY C C 53 174.703 174.703 173.983 0.720 18831 281 1 . 1 1 53 53 GLY CA C 53 44.809 44.809 45.139 -0.330 18831 282 1 . 1 1 54 54 ARG N N 54 119.424 119.424 120.298 -0.874 18831 283 1 . 1 1 54 54 ARG HA H 54 4.796 4.796 4.852 -0.056 18831 284 1 . 1 1 54 54 ARG C C 54 175.226 175.226 175.113 0.113 18831 285 1 . 1 1 54 54 ARG CA C 54 53.567 53.567 54.383 -0.816 18831 286 1 . 1 1 54 54 ARG CB C 54 31.960 31.960 33.591 -1.631 18831 287 1 . 1 1 54 54 ARG H H 54 7.485 7.485 7.677 -0.192 18831 288 1 . 1 1 55 55 THR N N 55 109.146 109.146 112.073 -2.927 18831 289 1 . 1 1 55 55 THR HA H 55 5.330 5.330 4.725 0.605 18831 290 1 . 1 1 55 55 THR C C 55 176.484 176.484 175.802 0.682 18831 291 1 . 1 1 55 55 THR CA C 55 59.151 59.151 59.834 -0.683 18831 292 1 . 1 1 55 55 THR CB C 55 71.868 71.868 71.014 0.854 18831 293 1 . 1 1 55 55 THR H H 55 8.915 8.915 8.283 0.632 18831 294 1 . 1 1 56 56 LEU N N 56 117.771 117.771 120.345 -2.574 18831 295 1 . 1 1 56 56 LEU HA H 56 4.124 4.124 4.194 -0.070 18831 296 1 . 1 1 56 56 LEU C C 56 180.611 180.611 178.637 1.974 18831 297 1 . 1 1 56 56 LEU CA C 56 57.975 57.975 58.170 -0.195 18831 298 1 . 1 1 56 56 LEU CB C 56 39.776 39.776 41.414 -1.638 18831 299 1 . 1 1 56 56 LEU H H 56 8.192 8.192 8.593 -0.401 18831 300 1 . 1 1 57 57 SER N N 57 113.230 113.230 112.296 0.934 18831 301 1 . 1 1 57 57 SER HA H 57 4.323 4.323 4.176 0.147 18831 302 1 . 1 1 57 57 SER C C 57 178.166 178.166 175.543 2.623 18831 303 1 . 1 1 57 57 SER CA C 57 60.523 60.523 60.675 -0.152 18831 304 1 . 1 1 57 57 SER CB C 57 61.940 61.940 62.681 -0.741 18831 305 1 . 1 1 57 57 SER H H 57 8.423 8.423 8.266 0.157 18831 306 1 . 1 1 58 58 ASP N N 58 124.565 124.565 121.910 2.655 18831 307 1 . 1 1 58 58 ASP HA H 58 4.342 4.342 4.474 -0.132 18831 308 1 . 1 1 58 58 ASP C C 58 177.303 177.303 177.229 0.074 18831 309 1 . 1 1 58 58 ASP CA C 58 56.860 56.860 56.009 0.851 18831 310 1 . 1 1 58 58 ASP CB C 58 39.787 39.787 40.806 -1.019 18831 311 1 . 1 1 58 58 ASP H H 58 7.945 7.945 7.591 0.354 18831 312 1 . 1 1 59 59 TYR N N 59 115.843 115.843 117.039 -1.196 18831 313 1 . 1 1 59 59 TYR HA H 59 4.696 4.696 4.462 0.234 18831 314 1 . 1 1 59 59 TYR C C 59 174.590 174.590 175.536 -0.947 18831 315 1 . 1 1 59 59 TYR CA C 59 57.745 57.745 58.798 -1.053 18831 316 1 . 1 1 59 59 TYR CB C 59 39.430 39.430 38.289 1.141 18831 317 1 . 1 1 59 59 TYR H H 59 7.311 7.311 7.319 -0.008 18831 318 1 . 1 1 60 60 ASN N N 60 115.827 115.827 113.885 1.942 18831 319 1 . 1 1 60 60 ASN HA H 60 4.407 4.407 4.329 0.078 18831 320 1 . 1 1 60 60 ASN C C 60 174.165 174.165 174.579 -0.414 18831 321 1 . 1 1 60 60 ASN CA C 60 53.583 53.583 54.300 -0.717 18831 322 1 . 1 1 60 60 ASN CB C 60 36.726 36.726 36.742 -0.016 18831 323 1 . 1 1 60 60 ASN H H 60 8.161 8.161 7.712 0.449 18831 324 1 . 1 1 61 61 ILE N N 61 118.960 118.960 120.246 -1.286 18831 325 1 . 1 1 61 61 ILE HA H 61 3.403 3.403 3.476 -0.073 18831 326 1 . 1 1 61 61 ILE C C 61 174.378 174.378 175.317 -0.939 18831 327 1 . 1 1 61 61 ILE CA C 61 61.926 61.926 62.626 -0.700 18831 328 1 . 1 1 61 61 ILE CB C 61 36.259 36.259 37.458 -1.200 18831 329 1 . 1 1 61 61 ILE H H 61 7.211 7.211 7.811 -0.600 18831 330 1 . 1 1 62 62 GLN N N 62 124.901 124.901 125.823 -0.922 18831 331 1 . 1 1 62 62 GLN HA H 62 4.588 4.588 4.576 0.012 18831 332 1 . 1 1 62 62 GLN C C 62 175.611 175.611 175.418 0.193 18831 333 1 . 1 1 62 62 GLN CA C 62 53.110 53.110 53.940 -0.830 18831 334 1 . 1 1 62 62 GLN CB C 62 31.093 31.093 30.946 0.147 18831 335 1 . 1 1 62 62 GLN H H 62 7.665 7.665 7.931 -0.265 18831 336 1 . 1 1 63 63 LYS N N 63 120.318 120.318 119.736 0.582 18831 337 1 . 1 1 63 63 LYS HA H 63 4.034 4.034 4.218 -0.184 18831 338 1 . 1 1 63 63 LYS C C 63 175.880 175.880 176.927 -1.047 18831 339 1 . 1 1 63 63 LYS CA C 63 57.460 57.460 56.448 1.012 18831 340 1 . 1 1 63 63 LYS CB C 63 31.860 31.860 33.055 -1.195 18831 341 1 . 1 1 63 63 LYS H H 63 8.473 8.473 8.228 0.245 18831 342 1 . 1 1 64 64 GLU N N 64 114.842 114.842 118.800 -3.958 18831 343 1 . 1 1 64 64 GLU HA H 64 3.426 3.426 2.506 0.920 18831 344 1 . 1 1 64 64 GLU C C 64 175.202 175.202 175.493 -0.291 18831 345 1 . 1 1 64 64 GLU CA C 64 57.814 57.814 56.782 1.032 18831 346 1 . 1 1 64 64 GLU CB C 64 25.451 25.451 27.698 -2.247 18831 347 1 . 1 1 64 64 GLU H H 64 9.299 9.299 8.031 1.268 18831 348 1 . 1 1 65 65 SER N N 65 115.119 115.119 114.250 0.869 18831 349 1 . 1 1 65 65 SER HA H 65 4.712 4.712 4.490 0.222 18831 350 1 . 1 1 65 65 SER C C 65 171.974 171.974 174.439 -2.465 18831 351 1 . 1 1 65 65 SER CA C 65 60.390 60.390 59.514 0.876 18831 352 1 . 1 1 65 65 SER CB C 65 64.259 64.259 63.614 0.645 18831 353 1 . 1 1 65 65 SER H H 65 7.778 7.778 7.349 0.429 18831 354 1 . 1 1 66 66 THR N N 66 117.698 117.698 122.963 -5.265 18831 355 1 . 1 1 66 66 THR HA H 66 5.342 5.342 4.747 0.595 18831 356 1 . 1 1 66 66 THR C C 66 173.567 173.567 174.493 -0.926 18831 357 1 . 1 1 66 66 THR CA C 66 61.850 61.850 62.800 -0.950 18831 358 1 . 1 1 66 66 THR CB C 66 69.772 69.772 69.328 0.444 18831 359 1 . 1 1 66 66 THR H H 66 8.764 8.764 8.598 0.166 18831 360 1 . 1 1 67 67 LEU N N 67 127.655 127.655 126.975 0.680 18831 361 1 . 1 1 67 67 LEU HA H 67 5.142 5.142 4.646 0.496 18831 362 1 . 1 1 67 67 LEU C C 67 175.119 175.119 176.478 -1.359 18831 363 1 . 1 1 67 67 LEU CA C 67 53.220 53.220 53.267 -0.047 18831 364 1 . 1 1 67 67 LEU CB C 67 43.799 43.799 43.151 0.648 18831 365 1 . 1 1 67 67 LEU H H 67 9.400 9.400 7.761 1.639 18831 366 1 . 1 1 68 68 HIS N N 68 120.510 120.510 116.672 3.838 18831 367 1 . 1 1 68 68 HIS HA H 68 5.423 5.423 4.885 0.538 18831 368 1 . 1 1 68 68 HIS C C 68 174.246 174.246 174.568 -0.322 18831 369 1 . 1 1 68 68 HIS CA C 68 55.082 55.082 55.491 -0.409 18831 370 1 . 1 1 68 68 HIS CB C 68 32.310 32.310 31.530 0.780 18831 371 1 . 1 1 68 68 HIS H H 68 9.128 9.128 8.367 0.761 18831 372 1 . 1 1 69 69 ILE N N 69 120.349 120.349 125.641 -5.292 18831 373 1 . 1 1 69 69 ILE HA H 69 5.173 5.173 4.670 0.502 18831 374 1 . 1 1 69 69 ILE C C 69 174.800 174.800 175.382 -0.582 18831 375 1 . 1 1 69 69 ILE CA C 69 58.474 58.474 60.713 -2.239 18831 376 1 . 1 1 69 69 ILE CB C 69 40.092 40.092 38.514 1.578 18831 377 1 . 1 1 69 69 ILE H H 69 8.369 8.369 8.082 0.287 18831 378 1 . 1 1 70 70 VAL N N 70 126.551 126.551 127.024 -0.473 18831 379 1 . 1 1 70 70 VAL HA H 70 4.367 4.367 4.338 0.029 18831 380 1 . 1 1 70 70 VAL C C 70 174.467 174.467 174.739 -0.272 18831 381 1 . 1 1 70 70 VAL CA C 70 60.299 60.299 61.364 -1.065 18831 382 1 . 1 1 70 70 VAL CB C 70 33.550 33.550 32.597 0.953 18831 383 1 . 1 1 70 70 VAL H H 70 8.944 8.944 8.182 0.762 18831 384 1 . 1 1 71 71 TRP N N 71 125.438 125.438 130.231 -4.793 18831 385 1 . 1 1 71 71 TRP HA H 71 5.108 5.108 4.914 0.194 18831 386 1 . 1 1 71 71 TRP C C 71 175.797 175.797 174.963 0.834 18831 387 1 . 1 1 71 71 TRP CA C 71 55.745 55.745 56.595 -0.850 18831 388 1 . 1 1 71 71 TRP CB C 71 30.099 30.099 30.776 -0.677 18831 389 1 . 1 1 71 71 TRP H H 71 8.425 8.425 8.439 -0.014 18831 390 1 . 1 1 72 72 ARG N N 72 125.700 125.700 128.210 -2.510 18831 391 1 . 1 1 72 72 ARG HA H 72 4.283 4.283 4.020 0.263 18831 392 1 . 1 1 72 72 ARG C C 72 174.661 174.661 174.364 0.296 18831 393 1 . 1 1 72 72 ARG CA C 72 55.057 55.057 55.741 -0.684 18831 394 1 . 1 1 72 72 ARG CB C 72 30.560 30.560 31.734 -1.174 18831 395 1 . 1 1 72 72 ARG H H 72 8.261 8.261 8.369 -0.108 18831 396 1 . 1 1 73 73 LEU N N 73 123.370 123.370 124.610 -1.240 18831 397 1 . 1 1 73 73 LEU HA H 73 4.220 4.220 4.423 -0.203 18831 398 1 . 1 1 73 73 LEU C C 73 177.072 177.072 177.136 -0.064 18831 399 1 . 1 1 73 73 LEU CA C 73 54.630 54.630 54.389 0.241 18831 400 1 . 1 1 73 73 LEU CB C 73 41.642 41.642 42.271 -0.629 18831 401 1 . 1 1 73 73 LEU H H 73 7.901 7.901 8.072 -0.171 18831 402 1 . 1 1 74 74 ARG N N 74 121.200 121.200 122.516 -1.316 18831 403 1 . 1 1 74 74 ARG HA H 74 4.287 4.287 4.306 -0.019 18831 404 1 . 1 1 74 74 ARG C C 74 176.609 176.609 176.501 0.108 18831 405 1 . 1 1 74 74 ARG CA C 74 55.770 55.770 56.213 -0.443 18831 406 1 . 1 1 74 74 ARG CB C 74 29.900 29.900 30.837 -0.937 18831 407 1 . 1 1 74 74 ARG H H 74 8.211 8.211 8.565 -0.354 18831 408 1 . 1 1 75 75 GLY N N 75 110.833 110.833 109.758 1.075 18831 409 1 . 1 1 75 75 GLY C C 75 173.520 173.520 173.953 -0.433 18831 410 1 . 1 1 75 75 GLY CA C 75 44.581 44.581 44.999 -0.418 18831 411 1 . 1 1 75 75 GLY H H 75 8.434 8.434 8.498 -0.064 18831 stop_ save_