data_18438 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18438 _Entry.PDB_ID 2LSO 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 18438 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 MET HA H 3 4.270 4.270 4.666 -0.396 18438 2 1 1 . 1 1 3 3 MET C C 3 175.362 175.362 174.840 0.522 18438 3 1 1 . 1 1 3 3 MET CA C 3 55.318 55.318 55.580 -0.262 18438 4 1 1 . 1 1 3 3 MET CB C 3 32.724 32.724 33.326 -0.602 18438 5 1 1 . 1 1 4 4 GLN N N 4 122.983 122.983 124.993 -2.010 18438 6 1 1 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.737 -0.174 18438 7 1 1 . 1 1 4 4 GLN C C 4 173.835 173.835 174.537 -0.702 18438 8 1 1 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.911 -0.390 18438 9 1 1 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.898 -1.133 18438 10 1 1 . 1 1 4 4 GLN H H 4 8.267 8.267 8.258 0.009 18438 11 1 1 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.485 -0.517 18438 12 1 1 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.528 1.464 18438 13 1 1 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.744 -0.048 18438 14 1 1 . 1 1 6 6 GLY C C 6 175.512 175.512 175.348 0.164 18438 15 1 1 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.708 1.328 18438 16 1 1 . 1 1 7 7 LYS N N 7 121.187 121.187 124.544 -3.357 18438 17 1 1 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.897 0.255 18438 18 1 1 . 1 1 7 7 LYS C C 7 179.107 179.107 177.552 1.555 18438 19 1 1 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.507 -0.552 18438 20 1 1 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.090 -0.449 18438 21 1 1 . 1 1 7 7 LYS H H 7 7.788 7.788 8.749 -0.961 18438 22 1 1 . 1 1 8 8 TYR N N 8 119.428 119.428 118.745 0.683 18438 23 1 1 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.588 -0.285 18438 24 1 1 . 1 1 8 8 TYR C C 8 177.544 177.544 178.019 -0.475 18438 25 1 1 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.027 2.573 18438 26 1 1 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.077 0.093 18438 27 1 1 . 1 1 8 8 TYR H H 8 8.197 8.197 8.447 -0.250 18438 28 1 1 . 1 1 9 9 SER N N 9 116.845 116.845 115.168 1.677 18438 29 1 1 . 1 1 9 9 SER HA H 9 4.241 4.241 4.198 0.043 18438 30 1 1 . 1 1 9 9 SER C C 9 175.982 175.982 176.666 -0.684 18438 31 1 1 . 1 1 9 9 SER CA C 9 62.258 62.258 61.827 0.431 18438 32 1 1 . 1 1 9 9 SER CB C 9 62.254 62.254 62.852 -0.598 18438 33 1 1 . 1 1 9 9 SER H H 9 8.279 8.279 7.929 0.350 18438 34 1 1 . 1 1 10 10 GLN N N 10 120.862 120.862 121.466 -0.604 18438 35 1 1 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.167 -0.081 18438 36 1 1 . 1 1 10 10 GLN C C 10 177.779 177.779 178.661 -0.882 18438 37 1 1 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.024 0.718 18438 38 1 1 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.174 -0.274 18438 39 1 1 . 1 1 10 10 GLN H H 10 7.765 7.765 7.841 -0.076 18438 40 1 1 . 1 1 11 11 LEU N N 11 119.752 119.752 121.895 -2.143 18438 41 1 1 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.183 0.211 18438 42 1 1 . 1 1 11 11 LEU C C 11 180.357 180.357 178.579 1.778 18438 43 1 1 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.712 0.002 18438 44 1 1 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.956 -0.018 18438 45 1 1 . 1 1 11 11 LEU H H 11 7.805 7.805 7.902 -0.097 18438 46 1 1 . 1 1 12 12 VAL N N 12 122.619 122.619 119.166 3.453 18438 47 1 1 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.522 -0.191 18438 48 1 1 . 1 1 12 12 VAL C C 12 176.841 176.841 178.117 -1.276 18438 49 1 1 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.128 1.289 18438 50 1 1 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.622 -0.303 18438 51 1 1 . 1 1 12 12 VAL H H 12 8.355 8.355 7.884 0.471 18438 52 1 1 . 1 1 13 13 VAL N N 13 118.472 118.472 119.447 -0.975 18438 53 1 1 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.573 -0.179 18438 54 1 1 . 1 1 13 13 VAL C C 13 177.622 177.622 177.886 -0.264 18438 55 1 1 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.493 0.274 18438 56 1 1 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.493 0.411 18438 57 1 1 . 1 1 13 13 VAL H H 13 7.636 7.636 7.848 -0.212 18438 58 1 1 . 1 1 14 14 GLU N N 14 117.137 117.137 118.510 -1.373 18438 59 1 1 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.064 0.010 18438 60 1 1 . 1 1 14 14 GLU C C 14 179.576 179.576 178.968 0.608 18438 61 1 1 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.390 -0.561 18438 62 1 1 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.581 -0.181 18438 63 1 1 . 1 1 14 14 GLU H H 14 8.642 8.642 7.780 0.862 18438 64 1 1 . 1 1 15 15 THR N N 15 116.678 116.678 117.404 -0.726 18438 65 1 1 . 1 1 15 15 THR HA H 15 3.859 3.859 4.035 -0.176 18438 66 1 1 . 1 1 15 15 THR C C 15 175.669 175.669 176.711 -1.042 18438 67 1 1 . 1 1 15 15 THR CA C 15 67.743 67.743 67.515 0.228 18438 68 1 1 . 1 1 15 15 THR CB C 15 67.761 67.761 68.564 -0.803 18438 69 1 1 . 1 1 15 15 THR H H 15 8.354 8.354 8.133 0.221 18438 70 1 1 . 1 1 16 16 ILE N N 16 121.241 121.241 120.803 0.438 18438 71 1 1 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.708 -0.204 18438 72 1 1 . 1 1 16 16 ILE C C 16 179.576 179.576 177.600 1.976 18438 73 1 1 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.099 1.755 18438 74 1 1 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.552 0.656 18438 75 1 1 . 1 1 16 16 ILE H H 16 8.342 8.342 8.053 0.289 18438 76 1 1 . 1 1 17 17 ARG N N 17 120.540 120.540 120.114 0.426 18438 77 1 1 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.026 -0.044 18438 78 1 1 . 1 1 17 17 ARG C C 17 178.482 178.482 178.496 -0.014 18438 79 1 1 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.128 0.399 18438 80 1 1 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.087 0.215 18438 81 1 1 . 1 1 17 17 ARG H H 17 8.496 8.496 7.622 0.874 18438 82 1 1 . 1 1 18 18 ARG N N 18 118.955 118.955 118.470 0.485 18438 83 1 1 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.134 -0.144 18438 84 1 1 . 1 1 18 18 ARG C C 18 178.794 178.794 178.269 0.525 18438 85 1 1 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.310 0.705 18438 86 1 1 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.839 0.272 18438 87 1 1 . 1 1 18 18 ARG H H 18 8.257 8.257 8.033 0.224 18438 88 1 1 . 1 1 19 19 LEU N N 19 118.486 118.486 117.112 1.374 18438 89 1 1 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.245 -0.192 18438 90 1 1 . 1 1 19 19 LEU C C 19 179.419 179.419 178.358 1.061 18438 91 1 1 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.694 1.409 18438 92 1 1 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.339 -0.043 18438 93 1 1 . 1 1 19 19 LEU H H 19 8.179 8.179 7.665 0.514 18438 94 1 1 . 1 1 20 20 GLY N N 20 104.303 104.303 105.431 -1.128 18438 95 1 1 . 1 1 20 20 GLY C C 20 175.200 175.200 173.977 1.223 18438 96 1 1 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.472 2.013 18438 97 1 1 . 1 1 20 20 GLY H H 20 7.520 7.520 8.130 -0.610 18438 98 1 1 . 1 1 21 21 GLU N N 21 118.725 118.725 120.020 -1.295 18438 99 1 1 . 1 1 21 21 GLU HA H 21 4.220 4.220 3.988 0.232 18438 100 1 1 . 1 1 21 21 GLU C C 21 179.280 179.280 176.912 2.368 18438 101 1 1 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.760 0.809 18438 102 1 1 . 1 1 21 21 GLU CB C 21 29.980 29.980 28.396 1.584 18438 103 1 1 . 1 1 21 21 GLU H H 21 8.674 8.674 8.130 0.544 18438 104 1 1 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.062 -0.057 18438 105 1 1 . 1 1 22 22 ARG C C 22 177.150 177.150 176.991 0.159 18438 106 1 1 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.247 1.220 18438 107 1 1 . 1 1 22 22 ARG CB C 22 29.953 29.953 29.992 -0.039 18438 108 1 1 . 1 1 23 23 ASN N N 23 114.707 114.707 116.291 -1.584 18438 109 1 1 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.629 0.369 18438 110 1 1 . 1 1 23 23 ASN C C 23 174.888 174.888 174.774 0.114 18438 111 1 1 . 1 1 23 23 ASN CA C 23 51.900 51.900 52.898 -0.998 18438 112 1 1 . 1 1 23 23 ASN CB C 23 38.504 38.504 38.838 -0.334 18438 113 1 1 . 1 1 23 23 ASN H H 23 8.662 8.662 8.415 0.247 18438 114 1 1 . 1 1 24 24 GLY N N 24 104.147 104.147 105.110 -0.963 18438 115 1 1 . 1 1 24 24 GLY C C 24 172.075 172.075 172.893 -0.818 18438 116 1 1 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.460 0.240 18438 117 1 1 . 1 1 24 24 GLY H H 24 7.130 7.130 7.504 -0.374 18438 118 1 1 . 1 1 25 25 SER N N 25 113.134 113.134 117.124 -3.990 18438 119 1 1 . 1 1 25 25 SER HA H 25 5.329 5.329 4.876 0.453 18438 120 1 1 . 1 1 25 25 SER C C 25 173.716 173.716 175.139 -1.423 18438 121 1 1 . 1 1 25 25 SER CA C 25 57.259 57.259 56.240 1.019 18438 122 1 1 . 1 1 25 25 SER CB C 25 66.600 66.600 65.623 0.977 18438 123 1 1 . 1 1 25 25 SER H H 25 8.661 8.661 8.396 0.265 18438 124 1 1 . 1 1 26 26 SER N N 26 121.159 121.159 124.253 -3.094 18438 125 1 1 . 1 1 26 26 SER HA H 26 4.962 4.962 4.448 0.514 18438 126 1 1 . 1 1 26 26 SER C C 26 174.732 174.732 175.991 -1.259 18438 127 1 1 . 1 1 26 26 SER CA C 26 56.600 56.600 58.776 -2.176 18438 128 1 1 . 1 1 26 26 SER CB C 26 65.369 65.369 63.907 1.462 18438 129 1 1 . 1 1 26 26 SER H H 26 8.841 8.841 8.959 -0.118 18438 130 1 1 . 1 1 27 27 LEU N N 27 121.372 121.372 127.931 -6.559 18438 131 1 1 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.216 -0.111 18438 132 1 1 . 1 1 27 27 LEU C C 27 177.935 177.935 177.648 0.287 18438 133 1 1 . 1 1 27 27 LEU CA C 27 58.827 58.827 57.981 0.846 18438 134 1 1 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.955 -1.014 18438 135 1 1 . 1 1 27 27 LEU H H 27 9.303 9.303 8.622 0.681 18438 136 1 1 . 1 1 28 28 ALA N N 28 119.606 119.606 120.683 -1.077 18438 137 1 1 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.073 0.089 18438 138 1 1 . 1 1 28 28 ALA C C 28 180.279 180.279 179.469 0.810 18438 139 1 1 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.435 0.290 18438 140 1 1 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.067 0.180 18438 141 1 1 . 1 1 28 28 ALA H H 28 8.509 8.509 7.732 0.777 18438 142 1 1 . 1 1 29 29 LYS N N 29 120.138 120.138 119.462 0.676 18438 143 1 1 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.131 -0.002 18438 144 1 1 . 1 1 29 29 LYS C C 29 178.950 178.950 178.940 0.010 18438 145 1 1 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.733 -0.148 18438 146 1 1 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.071 0.412 18438 147 1 1 . 1 1 29 29 LYS H H 29 7.873 7.873 7.395 0.478 18438 148 1 1 . 1 1 30 30 ILE N N 30 119.535 119.535 119.761 -0.226 18438 149 1 1 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.659 -0.154 18438 150 1 1 . 1 1 30 30 ILE C C 30 177.466 177.466 177.885 -0.419 18438 151 1 1 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.600 -0.239 18438 152 1 1 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.026 0.596 18438 153 1 1 . 1 1 30 30 ILE H H 30 8.505 8.505 8.206 0.299 18438 154 1 1 . 1 1 31 31 TYR N N 31 119.439 119.439 120.378 -0.939 18438 155 1 1 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.038 -0.070 18438 156 1 1 . 1 1 31 31 TYR C C 31 175.513 175.513 177.379 -1.866 18438 157 1 1 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.792 -0.892 18438 158 1 1 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.186 -0.247 18438 159 1 1 . 1 1 31 31 TYR H H 31 9.231 9.231 8.188 1.043 18438 160 1 1 . 1 1 32 32 THR N N 32 113.378 113.378 113.735 -0.357 18438 161 1 1 . 1 1 32 32 THR HA H 32 3.314 3.314 3.743 -0.429 18438 162 1 1 . 1 1 32 32 THR C C 32 175.435 175.435 175.995 -0.560 18438 163 1 1 . 1 1 32 32 THR CA C 32 66.900 66.900 65.921 0.979 18438 164 1 1 . 1 1 32 32 THR CB C 32 68.631 68.631 68.334 0.297 18438 165 1 1 . 1 1 32 32 THR H H 32 7.936 7.936 7.808 0.128 18438 166 1 1 . 1 1 33 33 GLU N N 33 117.565 117.565 118.776 -1.211 18438 167 1 1 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.215 -0.165 18438 168 1 1 . 1 1 33 33 GLU C C 33 178.716 178.716 178.525 0.191 18438 169 1 1 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.097 -0.897 18438 170 1 1 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.392 0.571 18438 171 1 1 . 1 1 33 33 GLU H H 33 7.359 7.359 7.660 -0.301 18438 172 1 1 . 1 1 34 34 ALA N N 34 124.323 124.323 122.335 1.988 18438 173 1 1 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.944 -0.315 18438 174 1 1 . 1 1 34 34 ALA C C 34 177.232 177.232 178.080 -0.848 18438 175 1 1 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.243 0.410 18438 176 1 1 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.632 -0.341 18438 177 1 1 . 1 1 34 34 ALA H H 34 8.940 8.940 7.780 1.160 18438 178 1 1 . 1 1 35 35 LYS N N 35 110.920 110.920 114.110 -3.190 18438 179 1 1 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.277 -0.498 18438 180 1 1 . 1 1 35 35 LYS C C 35 176.060 176.060 176.753 -0.693 18438 181 1 1 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.063 -0.359 18438 182 1 1 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.390 -0.592 18438 183 1 1 . 1 1 35 35 LYS H H 35 7.277 7.277 7.385 -0.108 18438 184 1 1 . 1 1 36 36 LYS N N 36 116.850 116.850 118.488 -1.638 18438 185 1 1 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.082 -0.162 18438 186 1 1 . 1 1 36 36 LYS C C 36 177.544 177.544 176.951 0.593 18438 187 1 1 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.888 -0.105 18438 188 1 1 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.370 0.674 18438 189 1 1 . 1 1 36 36 LYS H H 36 6.808 6.808 7.178 -0.370 18438 190 1 1 . 1 1 37 37 VAL N N 37 120.331 120.331 117.317 3.014 18438 191 1 1 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.228 -0.084 18438 192 1 1 . 1 1 37 37 VAL C C 37 177.134 177.134 175.279 1.855 18438 193 1 1 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.647 1.581 18438 194 1 1 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.007 0.054 18438 195 1 1 . 1 1 37 37 VAL H H 37 7.413 7.413 7.182 0.231 18438 196 1 1 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.391 -0.085 18438 197 1 1 . 1 1 38 38 PRO C C 38 176.763 176.763 176.643 0.120 18438 198 1 1 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.510 0.910 18438 199 1 1 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.058 -0.097 18438 200 1 1 . 1 1 39 39 TRP N N 39 110.211 110.211 116.446 -6.235 18438 201 1 1 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.643 0.081 18438 202 1 1 . 1 1 39 39 TRP C C 39 176.216 176.216 175.848 0.368 18438 203 1 1 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.631 -2.131 18438 204 1 1 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.709 0.218 18438 205 1 1 . 1 1 39 39 TRP H H 39 6.356 6.356 7.505 -1.149 18438 206 1 1 . 1 1 40 40 PHE N N 40 124.624 124.624 123.474 1.150 18438 207 1 1 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.056 -0.360 18438 208 1 1 . 1 1 40 40 PHE C C 40 174.966 174.966 175.146 -0.180 18438 209 1 1 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.512 1.696 18438 210 1 1 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.508 0.270 18438 211 1 1 . 1 1 40 40 PHE H H 40 7.282 7.282 6.885 0.397 18438 212 1 1 . 1 1 41 41 ASP N N 41 127.204 127.204 128.127 -0.923 18438 213 1 1 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.620 0.022 18438 214 1 1 . 1 1 41 41 ASP C C 41 175.904 175.904 176.739 -0.835 18438 215 1 1 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.655 -0.326 18438 216 1 1 . 1 1 41 41 ASP CB C 41 41.280 41.280 41.799 -0.519 18438 217 1 1 . 1 1 41 41 ASP H H 41 7.038 7.038 8.102 -1.064 18438 218 1 1 . 1 1 42 42 GLN N N 42 125.531 125.531 125.334 0.197 18438 219 1 1 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.386 -0.209 18438 220 1 1 . 1 1 42 42 GLN C C 42 178.169 178.169 177.242 0.927 18438 221 1 1 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.675 0.284 18438 222 1 1 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.464 -0.942 18438 223 1 1 . 1 1 42 42 GLN H H 42 9.072 9.072 8.841 0.231 18438 224 1 1 . 1 1 43 43 GLN N N 43 118.221 118.221 118.294 -0.073 18438 225 1 1 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.263 0.064 18438 226 1 1 . 1 1 43 43 GLN C C 43 177.154 177.154 177.163 -0.009 18438 227 1 1 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.928 0.213 18438 228 1 1 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.314 -0.059 18438 229 1 1 . 1 1 43 43 GLN H H 43 8.356 8.356 7.825 0.531 18438 230 1 1 . 1 1 44 44 ASN N N 44 115.402 115.402 115.931 -0.529 18438 231 1 1 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.627 0.104 18438 232 1 1 . 1 1 44 44 ASN C C 44 175.200 175.200 175.963 -0.763 18438 233 1 1 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.071 -0.471 18438 234 1 1 . 1 1 44 44 ASN CB C 44 41.059 41.059 39.322 1.737 18438 235 1 1 . 1 1 44 44 ASN H H 44 8.163 8.163 8.133 0.030 18438 236 1 1 . 1 1 45 45 GLY N N 45 109.680 109.680 109.221 0.459 18438 237 1 1 . 1 1 45 45 GLY C C 45 175.200 175.200 175.442 -0.242 18438 238 1 1 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.628 1.572 18438 239 1 1 . 1 1 45 45 GLY H H 45 8.094 8.094 7.893 0.201 18438 240 1 1 . 1 1 46 46 ARG N N 46 121.367 121.367 120.035 1.332 18438 241 1 1 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.247 -0.358 18438 242 1 1 . 1 1 46 46 ARG C C 46 178.091 178.091 177.842 0.249 18438 243 1 1 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.905 0.965 18438 244 1 1 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.785 -0.502 18438 245 1 1 . 1 1 46 46 ARG H H 46 8.893 8.893 8.449 0.444 18438 246 1 1 . 1 1 47 47 THR N N 47 116.630 116.630 116.760 -0.130 18438 247 1 1 . 1 1 47 47 THR HA H 47 3.668 3.668 4.061 -0.393 18438 248 1 1 . 1 1 47 47 THR C C 47 176.060 176.060 176.832 -0.772 18438 249 1 1 . 1 1 47 47 THR CA C 47 66.345 66.345 66.962 -0.617 18438 250 1 1 . 1 1 47 47 THR CB C 47 67.794 67.794 68.251 -0.457 18438 251 1 1 . 1 1 47 47 THR H H 47 7.397 7.397 7.562 -0.165 18438 252 1 1 . 1 1 48 48 TYR N N 48 120.826 120.826 120.709 0.117 18438 253 1 1 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.220 0.193 18438 254 1 1 . 1 1 48 48 TYR C C 48 180.279 180.279 178.224 2.055 18438 255 1 1 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.416 -1.496 18438 256 1 1 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.829 -1.729 18438 257 1 1 . 1 1 48 48 TYR H H 48 7.529 7.529 7.402 0.127 18438 258 1 1 . 1 1 49 49 LEU N N 49 120.670 120.670 119.705 0.965 18438 259 1 1 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.066 -0.003 18438 260 1 1 . 1 1 49 49 LEU C C 49 178.091 178.091 178.937 -0.846 18438 261 1 1 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.999 0.260 18438 262 1 1 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.563 0.695 18438 263 1 1 . 1 1 49 49 LEU H H 49 8.847 8.847 8.573 0.274 18438 264 1 1 . 1 1 50 50 LYS N N 50 119.596 119.596 119.973 -0.377 18438 265 1 1 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.891 -0.121 18438 266 1 1 . 1 1 50 50 LYS C C 50 179.263 179.263 179.379 -0.116 18438 267 1 1 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.324 1.313 18438 268 1 1 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.014 -0.016 18438 269 1 1 . 1 1 50 50 LYS H H 50 8.001 8.001 7.912 0.089 18438 270 1 1 . 1 1 51 51 TYR N N 51 118.606 118.606 118.618 -0.012 18438 271 1 1 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.328 -0.029 18438 272 1 1 . 1 1 51 51 TYR C C 51 179.107 179.107 178.294 0.813 18438 273 1 1 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.621 -1.383 18438 274 1 1 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.518 -1.181 18438 275 1 1 . 1 1 51 51 TYR H H 51 8.274 8.274 8.201 0.073 18438 276 1 1 . 1 1 52 52 SER N N 52 117.699 117.699 116.546 1.153 18438 277 1 1 . 1 1 52 52 SER HA H 52 4.227 4.227 4.164 0.063 18438 278 1 1 . 1 1 52 52 SER C C 52 175.669 175.669 176.399 -0.730 18438 279 1 1 . 1 1 52 52 SER CA C 52 63.312 63.312 62.676 0.636 18438 280 1 1 . 1 1 52 52 SER CB C 52 63.520 63.520 62.825 0.695 18438 281 1 1 . 1 1 52 52 SER H H 52 8.303 8.303 8.201 0.102 18438 282 1 1 . 1 1 53 53 ILE N N 53 121.571 121.571 122.234 -0.663 18438 283 1 1 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.451 -0.170 18438 284 1 1 . 1 1 53 53 ILE C C 53 176.685 176.685 177.256 -0.571 18438 285 1 1 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.743 0.296 18438 286 1 1 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.388 0.134 18438 287 1 1 . 1 1 53 53 ILE H H 53 8.543 8.543 8.375 0.168 18438 288 1 1 . 1 1 54 54 LYS N N 54 117.799 117.799 119.630 -1.831 18438 289 1 1 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.802 0.075 18438 290 1 1 . 1 1 54 54 LYS C C 54 179.107 179.107 178.792 0.315 18438 291 1 1 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.637 0.215 18438 292 1 1 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.208 -0.194 18438 293 1 1 . 1 1 54 54 LYS H H 54 7.572 7.572 7.503 0.069 18438 294 1 1 . 1 1 55 55 ALA N N 55 121.284 121.284 121.799 -0.515 18438 295 1 1 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.159 -0.044 18438 296 1 1 . 1 1 55 55 ALA C C 55 180.201 180.201 179.982 0.219 18438 297 1 1 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.948 0.049 18438 298 1 1 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.321 -0.401 18438 299 1 1 . 1 1 55 55 ALA H H 55 7.669 7.669 7.860 -0.191 18438 300 1 1 . 1 1 56 56 LEU N N 56 119.236 119.236 118.616 0.620 18438 301 1 1 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.047 0.373 18438 302 1 1 . 1 1 56 56 LEU C C 56 179.966 179.966 178.859 1.107 18438 303 1 1 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.480 -1.386 18438 304 1 1 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.651 0.710 18438 305 1 1 . 1 1 56 56 LEU H H 56 8.302 8.302 7.872 0.430 18438 306 1 1 . 1 1 57 57 VAL N N 57 122.357 122.357 119.552 2.805 18438 307 1 1 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.037 0.330 18438 308 1 1 . 1 1 57 57 VAL C C 57 180.669 180.669 179.327 1.342 18438 309 1 1 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.220 -1.114 18438 310 1 1 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.534 0.472 18438 311 1 1 . 1 1 57 57 VAL H H 57 8.555 8.555 8.121 0.434 18438 312 1 1 . 1 1 58 58 GLN N N 58 120.472 120.472 120.356 0.116 18438 313 1 1 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.097 0.028 18438 314 1 1 . 1 1 58 58 GLN C C 58 177.154 177.154 177.049 0.105 18438 315 1 1 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.544 0.276 18438 316 1 1 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.673 -0.473 18438 317 1 1 . 1 1 58 58 GLN H H 58 8.078 8.078 7.841 0.237 18438 318 1 1 . 1 1 59 59 ASN N N 59 114.176 114.176 115.597 -1.421 18438 319 1 1 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.760 0.119 18438 320 1 1 . 1 1 59 59 ASN C C 59 175.122 175.122 174.669 0.453 18438 321 1 1 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.915 -2.335 18438 322 1 1 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.977 -1.281 18438 323 1 1 . 1 1 59 59 ASN H H 59 7.704 7.704 7.790 -0.086 18438 324 1 1 . 1 1 60 60 ASP N N 60 113.376 113.376 116.254 -2.878 18438 325 1 1 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.402 0.061 18438 326 1 1 . 1 1 60 60 ASP C C 60 175.279 175.279 176.133 -0.854 18438 327 1 1 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.977 0.095 18438 328 1 1 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.811 1.098 18438 329 1 1 . 1 1 60 60 ASP H H 60 7.900 7.900 7.978 -0.078 18438 330 1 1 . 1 1 61 61 THR N N 61 117.382 117.382 110.576 6.806 18438 331 1 1 . 1 1 61 61 THR HA H 61 4.097 4.097 4.346 -0.249 18438 332 1 1 . 1 1 61 61 THR C C 61 174.966 174.966 174.247 0.719 18438 333 1 1 . 1 1 61 61 THR CA C 61 67.141 67.141 65.183 1.958 18438 334 1 1 . 1 1 61 61 THR CB C 61 68.143 68.143 70.300 -2.157 18438 335 1 1 . 1 1 61 61 THR H H 61 8.776 8.776 8.256 0.520 18438 336 1 1 . 1 1 62 62 LEU N N 62 118.406 118.406 120.445 -2.039 18438 337 1 1 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.225 -0.062 18438 338 1 1 . 1 1 62 62 LEU C C 62 175.122 175.122 175.740 -0.618 18438 339 1 1 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.355 -1.514 18438 340 1 1 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.403 0.062 18438 341 1 1 . 1 1 62 62 LEU H H 62 7.653 7.653 7.555 0.098 18438 342 1 1 . 1 1 63 63 LEU N N 63 119.075 119.075 122.461 -3.386 18438 343 1 1 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.732 -0.082 18438 344 1 1 . 1 1 63 63 LEU C C 63 175.904 175.904 176.005 -0.101 18438 345 1 1 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.734 -0.710 18438 346 1 1 . 1 1 63 63 LEU CB C 63 44.041 44.041 42.867 1.174 18438 347 1 1 . 1 1 63 63 LEU H H 63 9.145 9.145 8.769 0.376 18438 348 1 1 . 1 1 64 64 GLN N N 64 123.978 123.978 124.161 -0.183 18438 349 1 1 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.490 0.086 18438 350 1 1 . 1 1 64 64 GLN C C 64 175.435 175.435 174.980 0.455 18438 351 1 1 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.792 -0.766 18438 352 1 1 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.630 0.626 18438 353 1 1 . 1 1 64 64 GLN H H 64 8.995 8.995 8.711 0.284 18438 354 1 1 . 1 1 65 65 VAL N N 65 126.750 126.750 127.017 -0.267 18438 355 1 1 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.304 -0.279 18438 356 1 1 . 1 1 65 65 VAL C C 65 175.747 175.747 174.213 1.534 18438 357 1 1 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.608 0.312 18438 358 1 1 . 1 1 65 65 VAL CB C 65 32.502 32.502 33.129 -0.627 18438 359 1 1 . 1 1 65 65 VAL H H 65 8.520 8.520 8.696 -0.176 18438 360 1 1 . 1 1 66 66 LYS N N 66 124.150 124.150 124.378 -0.228 18438 361 1 1 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.769 -0.557 18438 362 1 1 . 1 1 66 66 LYS C C 66 176.607 176.607 176.587 0.020 18438 363 1 1 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.138 1.638 18438 364 1 1 . 1 1 66 66 LYS CB C 66 33.019 33.019 35.384 -2.365 18438 365 1 1 . 1 1 66 66 LYS H H 66 8.311 8.311 8.303 0.008 18438 366 1 1 . 1 1 67 67 GLY N N 67 109.952 109.952 114.507 -4.555 18438 367 1 1 . 1 1 67 67 GLY C C 67 173.716 173.716 174.859 -1.143 18438 368 1 1 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.680 -0.778 18438 369 1 1 . 1 1 67 67 GLY H H 67 8.401 8.401 8.853 -0.452 18438 370 1 1 . 1 1 68 68 THR N N 68 111.619 111.619 117.582 -5.963 18438 371 1 1 . 1 1 68 68 THR HA H 68 4.399 4.399 4.205 0.194 18438 372 1 1 . 1 1 68 68 THR C C 68 175.279 175.279 175.846 -0.567 18438 373 1 1 . 1 1 68 68 THR CA C 68 61.243 61.243 64.506 -3.263 18438 374 1 1 . 1 1 68 68 THR CB C 68 69.860 69.860 68.873 0.987 18438 375 1 1 . 1 1 68 68 THR H H 68 8.032 8.032 8.053 -0.021 18438 376 1 1 . 1 1 69 69 GLY N N 69 111.951 111.951 108.524 3.427 18438 377 1 1 . 1 1 69 69 GLY C C 69 174.572 174.572 173.118 1.454 18438 378 1 1 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.895 0.685 18438 379 1 1 . 1 1 69 69 GLY H H 69 8.581 8.581 8.346 0.235 18438 380 1 1 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.523 -0.221 18438 381 1 1 . 1 1 70 70 ALA C C 70 177.774 177.774 176.380 1.394 18438 382 1 1 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.367 1.694 18438 383 1 1 . 1 1 70 70 ALA CB C 70 18.921 18.921 20.290 -1.369 18438 384 1 1 . 1 1 71 71 ASN N N 71 115.782 115.782 119.679 -3.897 18438 385 1 1 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.451 0.429 18438 386 1 1 . 1 1 71 71 ASN C C 71 174.966 174.966 176.313 -1.347 18438 387 1 1 . 1 1 71 71 ASN CA C 71 52.744 52.744 55.444 -2.700 18438 388 1 1 . 1 1 71 71 ASN CB C 71 39.217 39.217 38.737 0.480 18438 389 1 1 . 1 1 71 71 ASN H H 71 8.151 8.151 8.757 -0.606 18438 390 1 1 . 1 1 72 72 GLY N N 72 107.783 107.783 109.374 -1.591 18438 391 1 1 . 1 1 72 72 GLY C C 72 172.700 172.700 172.666 0.034 18438 392 1 1 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.244 0.658 18438 393 1 1 . 1 1 72 72 GLY H H 72 8.051 8.051 8.180 -0.129 18438 394 1 1 . 1 1 73 73 SER N N 73 114.063 114.063 119.819 -5.756 18438 395 1 1 . 1 1 73 73 SER HA H 73 4.484 4.484 4.944 -0.460 18438 396 1 1 . 1 1 73 73 SER C C 73 172.480 172.480 172.691 -0.211 18438 397 1 1 . 1 1 73 73 SER CA C 73 56.717 56.717 56.836 -0.119 18438 398 1 1 . 1 1 73 73 SER CB C 73 65.043 65.043 65.208 -0.165 18438 399 1 1 . 1 1 73 73 SER H H 73 7.761 7.761 8.056 -0.295 18438 400 1 1 . 1 1 74 74 PHE N N 74 119.449 119.449 119.831 -0.382 18438 401 1 1 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.441 0.041 18438 402 1 1 . 1 1 74 74 PHE C C 74 174.185 174.185 174.854 -0.669 18438 403 1 1 . 1 1 74 74 PHE CA C 74 57.461 57.461 57.043 0.418 18438 404 1 1 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.999 -0.988 18438 405 1 1 . 1 1 74 74 PHE H H 74 8.489 8.489 8.944 -0.455 18438 406 1 1 . 1 1 75 75 LYS N N 75 119.294 119.294 119.242 0.052 18438 407 1 1 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.833 0.126 18438 408 1 1 . 1 1 75 75 LYS C C 75 175.669 175.669 174.462 1.207 18438 409 1 1 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.689 -1.285 18438 410 1 1 . 1 1 75 75 LYS CB C 75 37.239 37.239 35.899 1.340 18438 411 1 1 . 1 1 75 75 LYS H H 75 8.894 8.894 8.352 0.542 18438 412 1 1 . 1 1 76 76 LEU N N 76 121.201 121.201 119.916 1.285 18438 413 1 1 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.474 -0.102 18438 414 1 1 . 1 1 76 76 LEU C C 76 177.075 177.075 176.621 0.454 18438 415 1 1 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.680 0.098 18438 416 1 1 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.312 -0.671 18438 417 1 1 . 1 1 76 76 LEU H H 76 9.023 9.023 8.876 0.147 18438 418 1 1 . 1 1 77 77 ASN N N 77 120.222 120.222 121.919 -1.697 18438 419 1 1 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.932 -0.259 18438 420 1 1 . 1 1 77 77 ASN C C 77 175.669 175.669 175.113 0.556 18438 421 1 1 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.879 -2.077 18438 422 1 1 . 1 1 77 77 ASN CB C 77 37.863 37.863 41.103 -3.240 18438 423 1 1 . 1 1 77 77 ASN H H 77 8.333 8.333 8.720 -0.387 18438 424 1 1 . 1 1 78 78 ARG N N 78 125.225 125.225 117.846 7.379 18438 425 1 1 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.396 -0.183 18438 426 1 1 . 1 1 78 78 ARG C C 78 176.607 176.607 174.649 1.958 18438 427 1 1 . 1 1 78 78 ARG CA C 78 57.376 57.376 56.276 1.100 18438 428 1 1 . 1 1 78 78 ARG CB C 78 30.041 30.041 31.346 -1.306 18438 429 1 1 . 1 1 78 78 ARG H H 78 8.373 8.373 7.669 0.704 18438 430 1 1 . 1 1 79 79 LYS N N 79 119.831 119.831 121.383 -1.552 18438 431 1 1 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.307 -0.102 18438 432 1 1 . 1 1 79 79 LYS C C 79 177.075 177.075 177.128 -0.053 18438 433 1 1 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.013 1.130 18438 434 1 1 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.567 0.773 18438 435 1 1 . 1 1 79 79 LYS H H 79 8.095 8.095 8.712 -0.617 18438 436 1 1 . 1 1 80 80 LYS N N 80 119.767 119.767 118.962 0.805 18438 437 1 1 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.300 0.004 18438 438 1 1 . 1 1 80 80 LYS C C 80 176.607 176.607 177.304 -0.697 18438 439 1 1 . 1 1 80 80 LYS CA C 80 56.085 56.085 57.584 -1.498 18438 440 1 1 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.949 1.068 18438 441 1 1 . 1 1 80 80 LYS H H 80 7.671 7.671 8.172 -0.501 18438 442 1 1 . 1 1 81 81 LEU N N 81 121.868 121.868 118.753 3.115 18438 443 1 1 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.197 0.160 18438 444 1 1 . 1 1 81 81 LEU C C 81 177.214 177.214 177.815 -0.601 18438 445 1 1 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.285 -1.914 18438 446 1 1 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.462 0.024 18438 447 1 1 . 1 1 81 81 LEU H H 81 7.996 7.996 7.886 0.110 18438 448 1 1 . 1 1 82 82 GLU N N 82 120.499 120.499 115.571 4.928 18438 449 1 1 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.386 -0.044 18438 450 1 1 . 1 1 82 82 GLU C C 82 175.875 175.875 177.142 -1.267 18438 451 1 1 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.075 0.256 18438 452 1 1 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.328 -0.005 18438 453 1 1 . 1 1 82 82 GLU H H 82 8.262 8.262 7.907 0.355 18438 454 1 2 . 1 1 3 3 MET HA H 3 4.270 4.270 4.715 -0.445 18438 455 1 2 . 1 1 3 3 MET C C 3 175.362 175.362 174.944 0.418 18438 456 1 2 . 1 1 3 3 MET CA C 3 55.318 55.318 54.948 0.370 18438 457 1 2 . 1 1 3 3 MET CB C 3 32.724 32.724 33.450 -0.726 18438 458 1 2 . 1 1 4 4 GLN N N 4 122.983 122.983 123.395 -0.412 18438 459 1 2 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.968 -0.405 18438 460 1 2 . 1 1 4 4 GLN C C 4 173.835 173.835 173.841 -0.006 18438 461 1 2 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.581 -1.060 18438 462 1 2 . 1 1 4 4 GLN CB C 4 28.765 28.765 30.653 -1.888 18438 463 1 2 . 1 1 4 4 GLN H H 4 8.267 8.267 8.738 -0.471 18438 464 1 2 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.582 -0.614 18438 465 1 2 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.639 1.353 18438 466 1 2 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.345 -0.649 18438 467 1 2 . 1 1 6 6 GLY C C 6 175.512 175.512 173.823 1.689 18438 468 1 2 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.662 1.374 18438 469 1 2 . 1 1 7 7 LYS N N 7 121.187 121.187 122.613 -1.426 18438 470 1 2 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.120 0.032 18438 471 1 2 . 1 1 7 7 LYS C C 7 179.107 179.107 176.696 2.411 18438 472 1 2 . 1 1 7 7 LYS CA C 7 57.955 57.955 55.793 2.162 18438 473 1 2 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.859 -1.218 18438 474 1 2 . 1 1 7 7 LYS H H 7 7.788 7.788 8.122 -0.334 18438 475 1 2 . 1 1 8 8 TYR N N 8 119.428 119.428 121.159 -1.731 18438 476 1 2 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.680 -0.378 18438 477 1 2 . 1 1 8 8 TYR C C 8 177.544 177.544 177.910 -0.366 18438 478 1 2 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.592 2.008 18438 479 1 2 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.086 0.084 18438 480 1 2 . 1 1 8 8 TYR H H 8 8.197 8.197 8.649 -0.452 18438 481 1 2 . 1 1 9 9 SER N N 9 116.845 116.845 114.984 1.861 18438 482 1 2 . 1 1 9 9 SER HA H 9 4.241 4.241 4.117 0.124 18438 483 1 2 . 1 1 9 9 SER C C 9 175.982 175.982 176.467 -0.485 18438 484 1 2 . 1 1 9 9 SER CA C 9 62.258 62.258 61.622 0.636 18438 485 1 2 . 1 1 9 9 SER CB C 9 62.254 62.254 62.461 -0.207 18438 486 1 2 . 1 1 9 9 SER H H 9 8.279 8.279 8.808 -0.529 18438 487 1 2 . 1 1 10 10 GLN N N 10 120.862 120.862 122.700 -1.838 18438 488 1 2 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.168 -0.082 18438 489 1 2 . 1 1 10 10 GLN C C 10 177.779 177.779 178.140 -0.361 18438 490 1 2 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.317 0.425 18438 491 1 2 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.563 -0.663 18438 492 1 2 . 1 1 10 10 GLN H H 10 7.765 7.765 8.010 -0.245 18438 493 1 2 . 1 1 11 11 LEU N N 11 119.752 119.752 120.941 -1.189 18438 494 1 2 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.394 -0.000 18438 495 1 2 . 1 1 11 11 LEU C C 11 180.357 180.357 179.089 1.268 18438 496 1 2 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.602 0.113 18438 497 1 2 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.950 -0.012 18438 498 1 2 . 1 1 11 11 LEU H H 11 7.805 7.805 8.035 -0.230 18438 499 1 2 . 1 1 12 12 VAL N N 12 122.619 122.619 119.040 3.579 18438 500 1 2 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.633 -0.302 18438 501 1 2 . 1 1 12 12 VAL C C 12 176.841 176.841 177.935 -1.094 18438 502 1 2 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.004 1.413 18438 503 1 2 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.668 -0.349 18438 504 1 2 . 1 1 12 12 VAL H H 12 8.355 8.355 7.877 0.478 18438 505 1 2 . 1 1 13 13 VAL N N 13 118.472 118.472 119.736 -1.264 18438 506 1 2 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.597 -0.203 18438 507 1 2 . 1 1 13 13 VAL C C 13 177.622 177.622 178.157 -0.535 18438 508 1 2 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.108 0.659 18438 509 1 2 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.328 0.576 18438 510 1 2 . 1 1 13 13 VAL H H 13 7.636 7.636 7.566 0.070 18438 511 1 2 . 1 1 14 14 GLU N N 14 117.137 117.137 119.657 -2.520 18438 512 1 2 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.011 0.063 18438 513 1 2 . 1 1 14 14 GLU C C 14 179.576 179.576 179.132 0.444 18438 514 1 2 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.788 -0.959 18438 515 1 2 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.456 -0.056 18438 516 1 2 . 1 1 14 14 GLU H H 14 8.642 8.642 8.504 0.138 18438 517 1 2 . 1 1 15 15 THR N N 15 116.678 116.678 116.881 -0.203 18438 518 1 2 . 1 1 15 15 THR HA H 15 3.859 3.859 4.045 -0.186 18438 519 1 2 . 1 1 15 15 THR C C 15 175.669 175.669 176.549 -0.880 18438 520 1 2 . 1 1 15 15 THR CA C 15 67.743 67.743 67.571 0.172 18438 521 1 2 . 1 1 15 15 THR CB C 15 67.761 67.761 68.544 -0.783 18438 522 1 2 . 1 1 15 15 THR H H 15 8.354 8.354 8.005 0.349 18438 523 1 2 . 1 1 16 16 ILE N N 16 121.241 121.241 121.230 0.011 18438 524 1 2 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.854 -0.350 18438 525 1 2 . 1 1 16 16 ILE C C 16 179.576 179.576 178.160 1.416 18438 526 1 2 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.781 2.073 18438 527 1 2 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.637 0.571 18438 528 1 2 . 1 1 16 16 ILE H H 16 8.342 8.342 7.987 0.355 18438 529 1 2 . 1 1 17 17 ARG N N 17 120.540 120.540 120.282 0.258 18438 530 1 2 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.042 -0.060 18438 531 1 2 . 1 1 17 17 ARG C C 17 178.482 178.482 178.364 0.118 18438 532 1 2 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.163 0.363 18438 533 1 2 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.192 0.110 18438 534 1 2 . 1 1 17 17 ARG H H 17 8.496 8.496 7.794 0.702 18438 535 1 2 . 1 1 18 18 ARG N N 18 118.955 118.955 117.870 1.085 18438 536 1 2 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.168 -0.177 18438 537 1 2 . 1 1 18 18 ARG C C 18 178.794 178.794 178.454 0.340 18438 538 1 2 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.429 0.586 18438 539 1 2 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.405 -0.294 18438 540 1 2 . 1 1 18 18 ARG H H 18 8.257 8.257 7.892 0.365 18438 541 1 2 . 1 1 19 19 LEU N N 19 118.486 118.486 117.651 0.835 18438 542 1 2 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.205 -0.152 18438 543 1 2 . 1 1 19 19 LEU C C 19 179.419 179.419 178.016 1.403 18438 544 1 2 . 1 1 19 19 LEU CA C 19 57.102 57.102 56.023 1.079 18438 545 1 2 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.330 -0.034 18438 546 1 2 . 1 1 19 19 LEU H H 19 8.179 8.179 8.023 0.156 18438 547 1 2 . 1 1 20 20 GLY N N 20 104.303 104.303 105.677 -1.374 18438 548 1 2 . 1 1 20 20 GLY C C 20 175.200 175.200 174.221 0.979 18438 549 1 2 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.463 2.022 18438 550 1 2 . 1 1 20 20 GLY H H 20 7.520 7.520 8.083 -0.563 18438 551 1 2 . 1 1 21 21 GLU N N 21 118.725 118.725 120.741 -2.016 18438 552 1 2 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.002 0.218 18438 553 1 2 . 1 1 21 21 GLU C C 21 179.280 179.280 177.891 1.389 18438 554 1 2 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.995 0.574 18438 555 1 2 . 1 1 21 21 GLU CB C 21 29.980 29.980 28.590 1.390 18438 556 1 2 . 1 1 21 21 GLU H H 21 8.674 8.674 8.215 0.459 18438 557 1 2 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.055 -0.050 18438 558 1 2 . 1 1 22 22 ARG C C 22 177.150 177.150 176.477 0.673 18438 559 1 2 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.599 0.868 18438 560 1 2 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.134 -0.181 18438 561 1 2 . 1 1 23 23 ASN N N 23 114.707 114.707 117.309 -2.602 18438 562 1 2 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.802 0.196 18438 563 1 2 . 1 1 23 23 ASN C C 23 174.888 174.888 173.944 0.944 18438 564 1 2 . 1 1 23 23 ASN CA C 23 51.900 51.900 52.338 -0.438 18438 565 1 2 . 1 1 23 23 ASN CB C 23 38.504 38.504 39.091 -0.587 18438 566 1 2 . 1 1 23 23 ASN H H 23 8.662 8.662 8.182 0.480 18438 567 1 2 . 1 1 24 24 GLY N N 24 104.147 104.147 107.660 -3.513 18438 568 1 2 . 1 1 24 24 GLY C C 24 172.075 172.075 173.759 -1.684 18438 569 1 2 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.804 -0.104 18438 570 1 2 . 1 1 24 24 GLY H H 24 7.130 7.130 7.770 -0.640 18438 571 1 2 . 1 1 25 25 SER N N 25 113.134 113.134 118.181 -5.047 18438 572 1 2 . 1 1 25 25 SER HA H 25 5.329 5.329 4.691 0.638 18438 573 1 2 . 1 1 25 25 SER C C 25 173.716 173.716 174.738 -1.022 18438 574 1 2 . 1 1 25 25 SER CA C 25 57.259 57.259 58.052 -0.793 18438 575 1 2 . 1 1 25 25 SER CB C 25 66.600 66.600 64.254 2.346 18438 576 1 2 . 1 1 25 25 SER H H 25 8.661 8.661 8.438 0.223 18438 577 1 2 . 1 1 26 26 SER N N 26 121.159 121.159 122.494 -1.335 18438 578 1 2 . 1 1 26 26 SER HA H 26 4.962 4.962 4.586 0.376 18438 579 1 2 . 1 1 26 26 SER C C 26 174.732 174.732 176.125 -1.393 18438 580 1 2 . 1 1 26 26 SER CA C 26 56.600 56.600 58.317 -1.717 18438 581 1 2 . 1 1 26 26 SER CB C 26 65.369 65.369 63.658 1.711 18438 582 1 2 . 1 1 26 26 SER H H 26 8.841 8.841 8.991 -0.150 18438 583 1 2 . 1 1 27 27 LEU N N 27 121.372 121.372 125.186 -3.814 18438 584 1 2 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.252 -0.147 18438 585 1 2 . 1 1 27 27 LEU C C 27 177.935 177.935 178.074 -0.139 18438 586 1 2 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.520 0.307 18438 587 1 2 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.984 -1.044 18438 588 1 2 . 1 1 27 27 LEU H H 27 9.303 9.303 8.549 0.754 18438 589 1 2 . 1 1 28 28 ALA N N 28 119.606 119.606 119.668 -0.062 18438 590 1 2 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.084 0.078 18438 591 1 2 . 1 1 28 28 ALA C C 28 180.279 180.279 179.372 0.907 18438 592 1 2 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.344 0.381 18438 593 1 2 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.045 0.202 18438 594 1 2 . 1 1 28 28 ALA H H 28 8.509 8.509 7.944 0.565 18438 595 1 2 . 1 1 29 29 LYS N N 29 120.138 120.138 119.429 0.709 18438 596 1 2 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.118 0.011 18438 597 1 2 . 1 1 29 29 LYS C C 29 178.950 178.950 178.820 0.130 18438 598 1 2 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.650 -0.065 18438 599 1 2 . 1 1 29 29 LYS CB C 29 32.483 32.483 31.975 0.508 18438 600 1 2 . 1 1 29 29 LYS H H 29 7.873 7.873 8.219 -0.346 18438 601 1 2 . 1 1 30 30 ILE N N 30 119.535 119.535 119.796 -0.261 18438 602 1 2 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.730 -0.225 18438 603 1 2 . 1 1 30 30 ILE C C 30 177.466 177.466 177.541 -0.075 18438 604 1 2 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.199 0.162 18438 605 1 2 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.278 0.344 18438 606 1 2 . 1 1 30 30 ILE H H 30 8.505 8.505 8.235 0.270 18438 607 1 2 . 1 1 31 31 TYR N N 31 119.439 119.439 120.865 -1.426 18438 608 1 2 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.036 -0.068 18438 609 1 2 . 1 1 31 31 TYR C C 31 175.513 175.513 177.514 -2.001 18438 610 1 2 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.306 -1.406 18438 611 1 2 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.279 -0.340 18438 612 1 2 . 1 1 31 31 TYR H H 31 9.231 9.231 8.286 0.945 18438 613 1 2 . 1 1 32 32 THR N N 32 113.378 113.378 113.232 0.146 18438 614 1 2 . 1 1 32 32 THR HA H 32 3.314 3.314 3.815 -0.501 18438 615 1 2 . 1 1 32 32 THR C C 32 175.435 175.435 175.893 -0.458 18438 616 1 2 . 1 1 32 32 THR CA C 32 66.900 66.900 66.664 0.236 18438 617 1 2 . 1 1 32 32 THR CB C 32 68.631 68.631 68.459 0.172 18438 618 1 2 . 1 1 32 32 THR H H 32 7.936 7.936 7.939 -0.003 18438 619 1 2 . 1 1 33 33 GLU N N 33 117.565 117.565 118.275 -0.710 18438 620 1 2 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.246 -0.196 18438 621 1 2 . 1 1 33 33 GLU C C 33 178.716 178.716 177.971 0.745 18438 622 1 2 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.466 -0.266 18438 623 1 2 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.273 0.690 18438 624 1 2 . 1 1 33 33 GLU H H 33 7.359 7.359 7.674 -0.315 18438 625 1 2 . 1 1 34 34 ALA N N 34 124.323 124.323 122.279 2.044 18438 626 1 2 . 1 1 34 34 ALA HA H 34 3.629 3.629 4.126 -0.497 18438 627 1 2 . 1 1 34 34 ALA C C 34 177.232 177.232 177.703 -0.471 18438 628 1 2 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.026 0.628 18438 629 1 2 . 1 1 34 34 ALA CB C 34 18.291 18.291 19.274 -0.983 18438 630 1 2 . 1 1 34 34 ALA H H 34 8.940 8.940 7.479 1.461 18438 631 1 2 . 1 1 35 35 LYS N N 35 110.920 110.920 114.731 -3.811 18438 632 1 2 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.588 0.191 18438 633 1 2 . 1 1 35 35 LYS C C 35 176.060 176.060 176.629 -0.569 18438 634 1 2 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.635 0.069 18438 635 1 2 . 1 1 35 35 LYS CB C 35 30.798 30.798 30.927 -0.129 18438 636 1 2 . 1 1 35 35 LYS H H 35 7.277 7.277 7.170 0.107 18438 637 1 2 . 1 1 36 36 LYS N N 36 116.850 116.850 118.034 -1.184 18438 638 1 2 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.105 -0.185 18438 639 1 2 . 1 1 36 36 LYS C C 36 177.544 177.544 176.436 1.108 18438 640 1 2 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.815 -0.032 18438 641 1 2 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.346 0.697 18438 642 1 2 . 1 1 36 36 LYS H H 36 6.808 6.808 7.549 -0.741 18438 643 1 2 . 1 1 37 37 VAL N N 37 120.331 120.331 117.457 2.874 18438 644 1 2 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.155 -0.011 18438 645 1 2 . 1 1 37 37 VAL C C 37 177.134 177.134 175.210 1.924 18438 646 1 2 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.785 1.443 18438 647 1 2 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.766 0.295 18438 648 1 2 . 1 1 37 37 VAL H H 37 7.413 7.413 7.170 0.243 18438 649 1 2 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.418 -0.112 18438 650 1 2 . 1 1 38 38 PRO C C 38 176.763 176.763 176.594 0.169 18438 651 1 2 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.503 0.917 18438 652 1 2 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.150 -0.189 18438 653 1 2 . 1 1 39 39 TRP N N 39 110.211 110.211 116.372 -6.161 18438 654 1 2 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.685 0.039 18438 655 1 2 . 1 1 39 39 TRP C C 39 176.216 176.216 175.727 0.489 18438 656 1 2 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.635 -1.135 18438 657 1 2 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.649 0.278 18438 658 1 2 . 1 1 39 39 TRP H H 39 6.356 6.356 7.472 -1.116 18438 659 1 2 . 1 1 40 40 PHE N N 40 124.624 124.624 123.742 0.882 18438 660 1 2 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.280 -0.584 18438 661 1 2 . 1 1 40 40 PHE C C 40 174.966 174.966 174.466 0.500 18438 662 1 2 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.392 1.817 18438 663 1 2 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.217 0.561 18438 664 1 2 . 1 1 40 40 PHE H H 40 7.282 7.282 6.844 0.438 18438 665 1 2 . 1 1 41 41 ASP N N 41 127.204 127.204 128.909 -1.705 18438 666 1 2 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.649 -0.007 18438 667 1 2 . 1 1 41 41 ASP C C 41 175.904 175.904 176.838 -0.934 18438 668 1 2 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.711 -0.382 18438 669 1 2 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.113 -0.833 18438 670 1 2 . 1 1 41 41 ASP H H 41 7.038 7.038 8.178 -1.140 18438 671 1 2 . 1 1 42 42 GLN N N 42 125.531 125.531 124.795 0.736 18438 672 1 2 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.382 -0.205 18438 673 1 2 . 1 1 42 42 GLN C C 42 178.169 178.169 177.029 1.140 18438 674 1 2 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.922 0.037 18438 675 1 2 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.471 -0.949 18438 676 1 2 . 1 1 42 42 GLN H H 42 9.072 9.072 8.877 0.195 18438 677 1 2 . 1 1 43 43 GLN N N 43 118.221 118.221 118.278 -0.057 18438 678 1 2 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.323 0.004 18438 679 1 2 . 1 1 43 43 GLN C C 43 177.154 177.154 177.112 0.042 18438 680 1 2 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.327 0.814 18438 681 1 2 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.604 -0.350 18438 682 1 2 . 1 1 43 43 GLN H H 43 8.356 8.356 7.875 0.481 18438 683 1 2 . 1 1 44 44 ASN N N 44 115.402 115.402 116.334 -0.932 18438 684 1 2 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.654 0.077 18438 685 1 2 . 1 1 44 44 ASN C C 44 175.200 175.200 176.132 -0.932 18438 686 1 2 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.155 -0.555 18438 687 1 2 . 1 1 44 44 ASN CB C 44 41.059 41.059 39.422 1.637 18438 688 1 2 . 1 1 44 44 ASN H H 44 8.163 8.163 8.157 0.006 18438 689 1 2 . 1 1 45 45 GLY N N 45 109.680 109.680 109.319 0.361 18438 690 1 2 . 1 1 45 45 GLY C C 45 175.200 175.200 175.368 -0.168 18438 691 1 2 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.618 1.582 18438 692 1 2 . 1 1 45 45 GLY H H 45 8.094 8.094 8.184 -0.090 18438 693 1 2 . 1 1 46 46 ARG N N 46 121.367 121.367 120.288 1.079 18438 694 1 2 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.361 -0.472 18438 695 1 2 . 1 1 46 46 ARG C C 46 178.091 178.091 177.723 0.368 18438 696 1 2 . 1 1 46 46 ARG CA C 46 60.870 60.870 60.353 0.516 18438 697 1 2 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.861 -0.578 18438 698 1 2 . 1 1 46 46 ARG H H 46 8.893 8.893 8.530 0.363 18438 699 1 2 . 1 1 47 47 THR N N 47 116.630 116.630 116.049 0.581 18438 700 1 2 . 1 1 47 47 THR HA H 47 3.668 3.668 4.032 -0.364 18438 701 1 2 . 1 1 47 47 THR C C 47 176.060 176.060 176.891 -0.831 18438 702 1 2 . 1 1 47 47 THR CA C 47 66.345 66.345 67.279 -0.934 18438 703 1 2 . 1 1 47 47 THR CB C 47 67.794 67.794 67.983 -0.189 18438 704 1 2 . 1 1 47 47 THR H H 47 7.397 7.397 7.513 -0.116 18438 705 1 2 . 1 1 48 48 TYR N N 48 120.826 120.826 120.825 0.001 18438 706 1 2 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.177 0.236 18438 707 1 2 . 1 1 48 48 TYR C C 48 180.279 180.279 177.945 2.334 18438 708 1 2 . 1 1 48 48 TYR CA C 48 57.920 57.920 60.411 -2.491 18438 709 1 2 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.964 -1.864 18438 710 1 2 . 1 1 48 48 TYR H H 48 7.529 7.529 7.393 0.136 18438 711 1 2 . 1 1 49 49 LEU N N 49 120.670 120.670 119.627 1.043 18438 712 1 2 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.069 -0.006 18438 713 1 2 . 1 1 49 49 LEU C C 49 178.091 178.091 179.170 -1.079 18438 714 1 2 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.041 0.218 18438 715 1 2 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.760 0.499 18438 716 1 2 . 1 1 49 49 LEU H H 49 8.847 8.847 8.426 0.421 18438 717 1 2 . 1 1 50 50 LYS N N 50 119.596 119.596 119.489 0.107 18438 718 1 2 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.882 -0.112 18438 719 1 2 . 1 1 50 50 LYS C C 50 179.263 179.263 179.325 -0.062 18438 720 1 2 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.303 1.334 18438 721 1 2 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.117 -0.119 18438 722 1 2 . 1 1 50 50 LYS H H 50 8.001 8.001 8.069 -0.068 18438 723 1 2 . 1 1 51 51 TYR N N 51 118.606 118.606 118.946 -0.340 18438 724 1 2 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.314 -0.015 18438 725 1 2 . 1 1 51 51 TYR C C 51 179.107 179.107 178.298 0.809 18438 726 1 2 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.627 -1.389 18438 727 1 2 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.382 -1.045 18438 728 1 2 . 1 1 51 51 TYR H H 51 8.274 8.274 8.321 -0.047 18438 729 1 2 . 1 1 52 52 SER N N 52 117.699 117.699 117.014 0.685 18438 730 1 2 . 1 1 52 52 SER HA H 52 4.227 4.227 4.220 0.007 18438 731 1 2 . 1 1 52 52 SER C C 52 175.669 175.669 176.716 -1.047 18438 732 1 2 . 1 1 52 52 SER CA C 52 63.312 63.312 62.455 0.858 18438 733 1 2 . 1 1 52 52 SER CB C 52 63.520 63.520 62.789 0.730 18438 734 1 2 . 1 1 52 52 SER H H 52 8.303 8.303 8.040 0.263 18438 735 1 2 . 1 1 53 53 ILE N N 53 121.571 121.571 122.366 -0.795 18438 736 1 2 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.480 -0.199 18438 737 1 2 . 1 1 53 53 ILE C C 53 176.685 176.685 177.238 -0.553 18438 738 1 2 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.709 0.330 18438 739 1 2 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.404 0.118 18438 740 1 2 . 1 1 53 53 ILE H H 53 8.543 8.543 8.506 0.037 18438 741 1 2 . 1 1 54 54 LYS N N 54 117.799 117.799 119.985 -2.186 18438 742 1 2 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.872 0.005 18438 743 1 2 . 1 1 54 54 LYS C C 54 179.107 179.107 178.800 0.307 18438 744 1 2 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.416 0.436 18438 745 1 2 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.094 -0.081 18438 746 1 2 . 1 1 54 54 LYS H H 54 7.572 7.572 7.602 -0.030 18438 747 1 2 . 1 1 55 55 ALA N N 55 121.284 121.284 121.757 -0.473 18438 748 1 2 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.131 -0.016 18438 749 1 2 . 1 1 55 55 ALA C C 55 180.201 180.201 180.065 0.136 18438 750 1 2 . 1 1 55 55 ALA CA C 55 54.997 54.997 55.078 -0.081 18438 751 1 2 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.446 -0.526 18438 752 1 2 . 1 1 55 55 ALA H H 55 7.669 7.669 7.940 -0.271 18438 753 1 2 . 1 1 56 56 LEU N N 56 119.236 119.236 118.205 1.031 18438 754 1 2 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.094 0.326 18438 755 1 2 . 1 1 56 56 LEU C C 56 179.966 179.966 178.854 1.112 18438 756 1 2 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.178 -1.084 18438 757 1 2 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.802 0.559 18438 758 1 2 . 1 1 56 56 LEU H H 56 8.302 8.302 7.812 0.490 18438 759 1 2 . 1 1 57 57 VAL N N 57 122.357 122.357 120.402 1.955 18438 760 1 2 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.053 0.314 18438 761 1 2 . 1 1 57 57 VAL C C 57 180.669 180.669 179.375 1.294 18438 762 1 2 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.339 -1.233 18438 763 1 2 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.593 0.413 18438 764 1 2 . 1 1 57 57 VAL H H 57 8.555 8.555 8.277 0.278 18438 765 1 2 . 1 1 58 58 GLN N N 58 120.472 120.472 120.324 0.148 18438 766 1 2 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.111 0.014 18438 767 1 2 . 1 1 58 58 GLN C C 58 177.154 177.154 177.311 -0.157 18438 768 1 2 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.683 0.137 18438 769 1 2 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.631 -0.431 18438 770 1 2 . 1 1 58 58 GLN H H 58 8.078 8.078 8.302 -0.224 18438 771 1 2 . 1 1 59 59 ASN N N 59 114.176 114.176 115.358 -1.182 18438 772 1 2 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.808 0.071 18438 773 1 2 . 1 1 59 59 ASN C C 59 175.122 175.122 174.031 1.091 18438 774 1 2 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.177 -1.597 18438 775 1 2 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.493 -0.797 18438 776 1 2 . 1 1 59 59 ASN H H 59 7.704 7.704 7.663 0.041 18438 777 1 2 . 1 1 60 60 ASP N N 60 113.376 113.376 115.806 -2.430 18438 778 1 2 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.323 0.140 18438 779 1 2 . 1 1 60 60 ASP C C 60 175.279 175.279 175.974 -0.695 18438 780 1 2 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.763 0.309 18438 781 1 2 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.285 0.624 18438 782 1 2 . 1 1 60 60 ASP H H 60 7.900 7.900 7.793 0.107 18438 783 1 2 . 1 1 61 61 THR N N 61 117.382 117.382 110.363 7.019 18438 784 1 2 . 1 1 61 61 THR HA H 61 4.097 4.097 4.329 -0.232 18438 785 1 2 . 1 1 61 61 THR C C 61 174.966 174.966 174.519 0.447 18438 786 1 2 . 1 1 61 61 THR CA C 61 67.141 67.141 65.115 2.026 18438 787 1 2 . 1 1 61 61 THR CB C 61 68.143 68.143 69.978 -1.835 18438 788 1 2 . 1 1 61 61 THR H H 61 8.776 8.776 8.158 0.618 18438 789 1 2 . 1 1 62 62 LEU N N 62 118.406 118.406 120.628 -2.222 18438 790 1 2 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.247 -0.084 18438 791 1 2 . 1 1 62 62 LEU C C 62 175.122 175.122 175.627 -0.505 18438 792 1 2 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.302 -1.461 18438 793 1 2 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.944 -0.479 18438 794 1 2 . 1 1 62 62 LEU H H 62 7.653 7.653 7.729 -0.076 18438 795 1 2 . 1 1 63 63 LEU N N 63 119.075 119.075 121.914 -2.839 18438 796 1 2 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.744 -0.094 18438 797 1 2 . 1 1 63 63 LEU C C 63 175.904 175.904 175.946 -0.042 18438 798 1 2 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.840 -0.816 18438 799 1 2 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.674 0.367 18438 800 1 2 . 1 1 63 63 LEU H H 63 9.145 9.145 8.799 0.346 18438 801 1 2 . 1 1 64 64 GLN N N 64 123.978 123.978 123.732 0.246 18438 802 1 2 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.694 -0.118 18438 803 1 2 . 1 1 64 64 GLN C C 64 175.435 175.435 175.439 -0.004 18438 804 1 2 . 1 1 64 64 GLN CA C 64 55.026 55.026 54.992 0.034 18438 805 1 2 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.200 1.056 18438 806 1 2 . 1 1 64 64 GLN H H 64 8.995 8.995 8.810 0.185 18438 807 1 2 . 1 1 65 65 VAL N N 65 126.750 126.750 127.745 -0.995 18438 808 1 2 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.047 -0.022 18438 809 1 2 . 1 1 65 65 VAL C C 65 175.747 175.747 174.709 1.038 18438 810 1 2 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.356 -0.437 18438 811 1 2 . 1 1 65 65 VAL CB C 65 32.502 32.502 30.667 1.835 18438 812 1 2 . 1 1 65 65 VAL H H 65 8.520 8.520 8.451 0.069 18438 813 1 2 . 1 1 66 66 LYS N N 66 124.150 124.150 127.170 -3.020 18438 814 1 2 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.332 -0.120 18438 815 1 2 . 1 1 66 66 LYS C C 66 176.607 176.607 177.371 -0.764 18438 816 1 2 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.368 1.408 18438 817 1 2 . 1 1 66 66 LYS CB C 66 33.019 33.019 33.077 -0.058 18438 818 1 2 . 1 1 66 66 LYS H H 66 8.311 8.311 8.011 0.300 18438 819 1 2 . 1 1 67 67 GLY N N 67 109.952 109.952 110.088 -0.136 18438 820 1 2 . 1 1 67 67 GLY C C 67 173.716 173.716 175.275 -1.559 18438 821 1 2 . 1 1 67 67 GLY CA C 67 44.902 44.902 46.084 -1.182 18438 822 1 2 . 1 1 67 67 GLY H H 67 8.401 8.401 8.820 -0.419 18438 823 1 2 . 1 1 68 68 THR N N 68 111.619 111.619 115.316 -3.697 18438 824 1 2 . 1 1 68 68 THR HA H 68 4.399 4.399 4.287 0.112 18438 825 1 2 . 1 1 68 68 THR C C 68 175.279 175.279 175.369 -0.090 18438 826 1 2 . 1 1 68 68 THR CA C 68 61.243 61.243 63.286 -2.043 18438 827 1 2 . 1 1 68 68 THR CB C 68 69.860 69.860 69.450 0.410 18438 828 1 2 . 1 1 68 68 THR H H 68 8.032 8.032 8.108 -0.076 18438 829 1 2 . 1 1 69 69 GLY N N 69 111.951 111.951 108.775 3.176 18438 830 1 2 . 1 1 69 69 GLY C C 69 174.572 174.572 173.836 0.736 18438 831 1 2 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.419 0.161 18438 832 1 2 . 1 1 69 69 GLY H H 69 8.581 8.581 7.965 0.616 18438 833 1 2 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.851 0.451 18438 834 1 2 . 1 1 70 70 ALA C C 70 177.774 177.774 178.089 -0.315 18438 835 1 2 . 1 1 70 70 ALA CA C 70 53.061 53.061 53.700 -0.639 18438 836 1 2 . 1 1 70 70 ALA CB C 70 18.921 18.921 17.546 1.375 18438 837 1 2 . 1 1 71 71 ASN N N 71 115.782 115.782 120.203 -4.421 18438 838 1 2 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.522 0.358 18438 839 1 2 . 1 1 71 71 ASN C C 71 174.966 174.966 175.439 -0.473 18438 840 1 2 . 1 1 71 71 ASN CA C 71 52.744 52.744 54.057 -1.313 18438 841 1 2 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.019 0.198 18438 842 1 2 . 1 1 71 71 ASN H H 71 8.151 8.151 8.414 -0.263 18438 843 1 2 . 1 1 72 72 GLY N N 72 107.783 107.783 107.741 0.042 18438 844 1 2 . 1 1 72 72 GLY C C 72 172.700 172.700 173.337 -0.637 18438 845 1 2 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.370 0.532 18438 846 1 2 . 1 1 72 72 GLY H H 72 8.051 8.051 7.771 0.280 18438 847 1 2 . 1 1 73 73 SER N N 73 114.063 114.063 119.777 -5.714 18438 848 1 2 . 1 1 73 73 SER HA H 73 4.484 4.484 4.493 -0.009 18438 849 1 2 . 1 1 73 73 SER C C 73 172.480 172.480 172.719 -0.239 18438 850 1 2 . 1 1 73 73 SER CA C 73 56.717 56.717 58.249 -1.532 18438 851 1 2 . 1 1 73 73 SER CB C 73 65.043 65.043 64.680 0.363 18438 852 1 2 . 1 1 73 73 SER H H 73 7.761 7.761 8.138 -0.377 18438 853 1 2 . 1 1 74 74 PHE N N 74 119.449 119.449 119.445 0.004 18438 854 1 2 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.611 -0.129 18438 855 1 2 . 1 1 74 74 PHE C C 74 174.185 174.185 174.672 -0.487 18438 856 1 2 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.573 0.888 18438 857 1 2 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.450 -0.439 18438 858 1 2 . 1 1 74 74 PHE H H 74 8.489 8.489 8.549 -0.060 18438 859 1 2 . 1 1 75 75 LYS N N 75 119.294 119.294 119.977 -0.683 18438 860 1 2 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.846 0.113 18438 861 1 2 . 1 1 75 75 LYS C C 75 175.669 175.669 174.638 1.031 18438 862 1 2 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.191 -0.787 18438 863 1 2 . 1 1 75 75 LYS CB C 75 37.239 37.239 35.928 1.311 18438 864 1 2 . 1 1 75 75 LYS H H 75 8.894 8.894 8.589 0.305 18438 865 1 2 . 1 1 76 76 LEU N N 76 121.201 121.201 121.030 0.171 18438 866 1 2 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.668 -0.296 18438 867 1 2 . 1 1 76 76 LEU C C 76 177.075 177.075 177.344 -0.269 18438 868 1 2 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.956 0.822 18438 869 1 2 . 1 1 76 76 LEU CB C 76 41.641 41.641 41.797 -0.156 18438 870 1 2 . 1 1 76 76 LEU H H 76 9.023 9.023 8.690 0.333 18438 871 1 2 . 1 1 77 77 ASN N N 77 120.222 120.222 123.454 -3.232 18438 872 1 2 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.702 -0.029 18438 873 1 2 . 1 1 77 77 ASN C C 77 175.669 175.669 175.070 0.599 18438 874 1 2 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.116 -1.314 18438 875 1 2 . 1 1 77 77 ASN CB C 77 37.863 37.863 39.351 -1.488 18438 876 1 2 . 1 1 77 77 ASN H H 77 8.333 8.333 8.311 0.022 18438 877 1 2 . 1 1 78 78 ARG N N 78 125.225 125.225 119.781 5.444 18438 878 1 2 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.485 -0.272 18438 879 1 2 . 1 1 78 78 ARG C C 78 176.607 176.607 176.961 -0.354 18438 880 1 2 . 1 1 78 78 ARG CA C 78 57.376 57.376 54.877 2.499 18438 881 1 2 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.558 -0.517 18438 882 1 2 . 1 1 78 78 ARG H H 78 8.373 8.373 8.534 -0.161 18438 883 1 2 . 1 1 79 79 LYS N N 79 119.831 119.831 123.176 -3.345 18438 884 1 2 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.277 -0.072 18438 885 1 2 . 1 1 79 79 LYS C C 79 177.075 177.075 176.585 0.490 18438 886 1 2 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.624 1.519 18438 887 1 2 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.109 1.232 18438 888 1 2 . 1 1 79 79 LYS H H 79 8.095 8.095 8.693 -0.598 18438 889 1 2 . 1 1 80 80 LYS N N 80 119.767 119.767 119.740 0.027 18438 890 1 2 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.012 0.292 18438 891 1 2 . 1 1 80 80 LYS C C 80 176.607 176.607 178.354 -1.747 18438 892 1 2 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.368 -2.283 18438 893 1 2 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.232 0.785 18438 894 1 2 . 1 1 80 80 LYS H H 80 7.671 7.671 7.818 -0.147 18438 895 1 2 . 1 1 81 81 LEU N N 81 121.868 121.868 118.757 3.111 18438 896 1 2 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.040 0.317 18438 897 1 2 . 1 1 81 81 LEU C C 81 177.214 177.214 178.404 -1.190 18438 898 1 2 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.163 -1.792 18438 899 1 2 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.093 0.394 18438 900 1 2 . 1 1 81 81 LEU H H 81 7.996 7.996 8.177 -0.181 18438 901 1 2 . 1 1 82 82 GLU N N 82 120.499 120.499 113.569 6.930 18438 902 1 2 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.482 -0.140 18438 903 1 2 . 1 1 82 82 GLU C C 82 175.875 175.875 176.946 -1.071 18438 904 1 2 . 1 1 82 82 GLU CA C 82 56.331 56.331 55.836 0.495 18438 905 1 2 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.577 -0.255 18438 906 1 2 . 1 1 82 82 GLU H H 82 8.262 8.262 7.950 0.312 18438 907 1 3 . 1 1 3 3 MET HA H 3 4.270 4.270 4.861 -0.591 18438 908 1 3 . 1 1 3 3 MET C C 3 175.362 175.362 175.085 0.277 18438 909 1 3 . 1 1 3 3 MET CA C 3 55.318 55.318 55.263 0.055 18438 910 1 3 . 1 1 3 3 MET CB C 3 32.724 32.724 31.966 0.758 18438 911 1 3 . 1 1 4 4 GLN N N 4 122.983 122.983 125.783 -2.800 18438 912 1 3 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.875 -0.312 18438 913 1 3 . 1 1 4 4 GLN C C 4 173.835 173.835 173.727 0.108 18438 914 1 3 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.523 -0.002 18438 915 1 3 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.578 0.188 18438 916 1 3 . 1 1 4 4 GLN H H 4 8.267 8.267 8.499 -0.232 18438 917 1 3 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.422 -0.454 18438 918 1 3 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.729 1.263 18438 919 1 3 . 1 1 5 5 PRO CB C 5 31.696 31.696 30.426 1.270 18438 920 1 3 . 1 1 6 6 GLY C C 6 175.512 175.512 174.740 0.772 18438 921 1 3 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.937 1.099 18438 922 1 3 . 1 1 7 7 LYS N N 7 121.187 121.187 126.684 -5.497 18438 923 1 3 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.901 0.251 18438 924 1 3 . 1 1 7 7 LYS C C 7 179.107 179.107 178.040 1.067 18438 925 1 3 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.851 -0.896 18438 926 1 3 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.232 -0.591 18438 927 1 3 . 1 1 7 7 LYS H H 7 7.788 7.788 7.810 -0.022 18438 928 1 3 . 1 1 8 8 TYR N N 8 119.428 119.428 118.526 0.902 18438 929 1 3 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.649 -0.347 18438 930 1 3 . 1 1 8 8 TYR C C 8 177.544 177.544 178.155 -0.611 18438 931 1 3 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.617 1.983 18438 932 1 3 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.855 0.315 18438 933 1 3 . 1 1 8 8 TYR H H 8 8.197 8.197 8.349 -0.152 18438 934 1 3 . 1 1 9 9 SER N N 9 116.845 116.845 114.435 2.410 18438 935 1 3 . 1 1 9 9 SER HA H 9 4.241 4.241 4.168 0.073 18438 936 1 3 . 1 1 9 9 SER C C 9 175.982 175.982 176.652 -0.670 18438 937 1 3 . 1 1 9 9 SER CA C 9 62.258 62.258 61.731 0.527 18438 938 1 3 . 1 1 9 9 SER CB C 9 62.254 62.254 62.904 -0.650 18438 939 1 3 . 1 1 9 9 SER H H 9 8.279 8.279 8.384 -0.105 18438 940 1 3 . 1 1 10 10 GLN N N 10 120.862 120.862 119.993 0.869 18438 941 1 3 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.141 -0.055 18438 942 1 3 . 1 1 10 10 GLN C C 10 177.779 177.779 178.660 -0.881 18438 943 1 3 . 1 1 10 10 GLN CA C 10 58.742 58.742 57.934 0.808 18438 944 1 3 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.462 -0.562 18438 945 1 3 . 1 1 10 10 GLN H H 10 7.765 7.765 7.949 -0.184 18438 946 1 3 . 1 1 11 11 LEU N N 11 119.752 119.752 122.310 -2.558 18438 947 1 3 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.483 -0.089 18438 948 1 3 . 1 1 11 11 LEU C C 11 180.357 180.357 179.131 1.226 18438 949 1 3 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.438 0.277 18438 950 1 3 . 1 1 11 11 LEU CB C 11 41.938 41.938 42.014 -0.076 18438 951 1 3 . 1 1 11 11 LEU H H 11 7.805 7.805 8.130 -0.325 18438 952 1 3 . 1 1 12 12 VAL N N 12 122.619 122.619 119.026 3.593 18438 953 1 3 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.598 -0.267 18438 954 1 3 . 1 1 12 12 VAL C C 12 176.841 176.841 177.893 -1.052 18438 955 1 3 . 1 1 12 12 VAL CA C 12 68.417 68.417 66.954 1.463 18438 956 1 3 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.610 -0.291 18438 957 1 3 . 1 1 12 12 VAL H H 12 8.355 8.355 7.689 0.666 18438 958 1 3 . 1 1 13 13 VAL N N 13 118.472 118.472 119.451 -0.979 18438 959 1 3 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.601 -0.207 18438 960 1 3 . 1 1 13 13 VAL C C 13 177.622 177.622 178.131 -0.509 18438 961 1 3 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.899 0.868 18438 962 1 3 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.262 0.642 18438 963 1 3 . 1 1 13 13 VAL H H 13 7.636 7.636 7.556 0.080 18438 964 1 3 . 1 1 14 14 GLU N N 14 117.137 117.137 119.711 -2.574 18438 965 1 3 . 1 1 14 14 GLU HA H 14 4.074 4.074 3.981 0.093 18438 966 1 3 . 1 1 14 14 GLU C C 14 179.576 179.576 179.079 0.497 18438 967 1 3 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.725 -0.896 18438 968 1 3 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.436 -0.036 18438 969 1 3 . 1 1 14 14 GLU H H 14 8.642 8.642 8.057 0.585 18438 970 1 3 . 1 1 15 15 THR N N 15 116.678 116.678 117.199 -0.521 18438 971 1 3 . 1 1 15 15 THR HA H 15 3.859 3.859 4.009 -0.150 18438 972 1 3 . 1 1 15 15 THR C C 15 175.669 175.669 176.642 -0.973 18438 973 1 3 . 1 1 15 15 THR CA C 15 67.743 67.743 67.206 0.537 18438 974 1 3 . 1 1 15 15 THR CB C 15 67.761 67.761 68.528 -0.767 18438 975 1 3 . 1 1 15 15 THR H H 15 8.354 8.354 7.949 0.405 18438 976 1 3 . 1 1 16 16 ILE N N 16 121.241 121.241 120.497 0.744 18438 977 1 3 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.835 -0.331 18438 978 1 3 . 1 1 16 16 ILE C C 16 179.576 179.576 178.124 1.452 18438 979 1 3 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.857 1.997 18438 980 1 3 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.458 0.750 18438 981 1 3 . 1 1 16 16 ILE H H 16 8.342 8.342 7.904 0.438 18438 982 1 3 . 1 1 17 17 ARG N N 17 120.540 120.540 120.387 0.153 18438 983 1 3 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.072 -0.090 18438 984 1 3 . 1 1 17 17 ARG C C 17 178.482 178.482 178.377 0.105 18438 985 1 3 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.088 0.439 18438 986 1 3 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.127 0.176 18438 987 1 3 . 1 1 17 17 ARG H H 17 8.496 8.496 7.601 0.895 18438 988 1 3 . 1 1 18 18 ARG N N 18 118.955 118.955 118.318 0.637 18438 989 1 3 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.086 -0.096 18438 990 1 3 . 1 1 18 18 ARG C C 18 178.794 178.794 178.835 -0.041 18438 991 1 3 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.611 0.404 18438 992 1 3 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.239 -0.128 18438 993 1 3 . 1 1 18 18 ARG H H 18 8.257 8.257 7.966 0.291 18438 994 1 3 . 1 1 19 19 LEU N N 19 118.486 118.486 117.411 1.075 18438 995 1 3 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.214 -0.161 18438 996 1 3 . 1 1 19 19 LEU C C 19 179.419 179.419 178.071 1.348 18438 997 1 3 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.412 1.690 18438 998 1 3 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.368 -0.072 18438 999 1 3 . 1 1 19 19 LEU H H 19 8.179 8.179 7.911 0.268 18438 1000 1 3 . 1 1 20 20 GLY N N 20 104.303 104.303 105.889 -1.586 18438 1001 1 3 . 1 1 20 20 GLY C C 20 175.200 175.200 174.872 0.328 18438 1002 1 3 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.377 2.108 18438 1003 1 3 . 1 1 20 20 GLY H H 20 7.520 7.520 7.917 -0.397 18438 1004 1 3 . 1 1 21 21 GLU N N 21 118.725 118.725 120.714 -1.989 18438 1005 1 3 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.283 -0.063 18438 1006 1 3 . 1 1 21 21 GLU C C 21 179.280 179.280 178.140 1.140 18438 1007 1 3 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.103 1.466 18438 1008 1 3 . 1 1 21 21 GLU CB C 21 29.980 29.980 29.144 0.836 18438 1009 1 3 . 1 1 21 21 GLU H H 21 8.674 8.674 8.269 0.405 18438 1010 1 3 . 1 1 22 22 ARG HA H 22 4.005 4.005 3.898 0.107 18438 1011 1 3 . 1 1 22 22 ARG C C 22 177.150 177.150 177.005 0.145 18438 1012 1 3 . 1 1 22 22 ARG CA C 22 59.467 59.467 59.266 0.201 18438 1013 1 3 . 1 1 22 22 ARG CB C 22 29.953 29.953 28.956 0.997 18438 1014 1 3 . 1 1 23 23 ASN N N 23 114.707 114.707 115.642 -0.935 18438 1015 1 3 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.606 0.392 18438 1016 1 3 . 1 1 23 23 ASN C C 23 174.888 174.888 175.085 -0.197 18438 1017 1 3 . 1 1 23 23 ASN CA C 23 51.900 51.900 52.902 -1.002 18438 1018 1 3 . 1 1 23 23 ASN CB C 23 38.504 38.504 38.908 -0.404 18438 1019 1 3 . 1 1 23 23 ASN H H 23 8.662 8.662 8.426 0.236 18438 1020 1 3 . 1 1 24 24 GLY N N 24 104.147 104.147 107.896 -3.749 18438 1021 1 3 . 1 1 24 24 GLY C C 24 172.075 172.075 173.544 -1.469 18438 1022 1 3 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.554 0.146 18438 1023 1 3 . 1 1 24 24 GLY H H 24 7.130 7.130 7.614 -0.484 18438 1024 1 3 . 1 1 25 25 SER N N 25 113.134 113.134 117.762 -4.628 18438 1025 1 3 . 1 1 25 25 SER HA H 25 5.329 5.329 4.885 0.444 18438 1026 1 3 . 1 1 25 25 SER C C 25 173.716 173.716 174.788 -1.072 18438 1027 1 3 . 1 1 25 25 SER CA C 25 57.259 57.259 57.136 0.123 18438 1028 1 3 . 1 1 25 25 SER CB C 25 66.600 66.600 65.198 1.402 18438 1029 1 3 . 1 1 25 25 SER H H 25 8.661 8.661 8.276 0.385 18438 1030 1 3 . 1 1 26 26 SER N N 26 121.159 121.159 120.499 0.660 18438 1031 1 3 . 1 1 26 26 SER HA H 26 4.962 4.962 4.725 0.237 18438 1032 1 3 . 1 1 26 26 SER C C 26 174.732 174.732 175.820 -1.088 18438 1033 1 3 . 1 1 26 26 SER CA C 26 56.600 56.600 57.732 -1.132 18438 1034 1 3 . 1 1 26 26 SER CB C 26 65.369 65.369 64.324 1.045 18438 1035 1 3 . 1 1 26 26 SER H H 26 8.841 8.841 8.796 0.045 18438 1036 1 3 . 1 1 27 27 LEU N N 27 121.372 121.372 122.671 -1.299 18438 1037 1 3 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.183 -0.078 18438 1038 1 3 . 1 1 27 27 LEU C C 27 177.935 177.935 178.234 -0.299 18438 1039 1 3 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.252 0.575 18438 1040 1 3 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.872 -0.931 18438 1041 1 3 . 1 1 27 27 LEU H H 27 9.303 9.303 9.186 0.117 18438 1042 1 3 . 1 1 28 28 ALA N N 28 119.606 119.606 120.064 -0.458 18438 1043 1 3 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.081 0.081 18438 1044 1 3 . 1 1 28 28 ALA C C 28 180.279 180.279 179.317 0.962 18438 1045 1 3 . 1 1 28 28 ALA CA C 28 55.725 55.725 54.917 0.808 18438 1046 1 3 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.142 0.105 18438 1047 1 3 . 1 1 28 28 ALA H H 28 8.509 8.509 8.222 0.287 18438 1048 1 3 . 1 1 29 29 LYS N N 29 120.138 120.138 120.090 0.048 18438 1049 1 3 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.161 -0.032 18438 1050 1 3 . 1 1 29 29 LYS C C 29 178.950 178.950 178.888 0.062 18438 1051 1 3 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.466 0.119 18438 1052 1 3 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.207 0.276 18438 1053 1 3 . 1 1 29 29 LYS H H 29 7.873 7.873 7.559 0.314 18438 1054 1 3 . 1 1 30 30 ILE N N 30 119.535 119.535 119.415 0.120 18438 1055 1 3 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.750 -0.245 18438 1056 1 3 . 1 1 30 30 ILE C C 30 177.466 177.466 177.419 0.047 18438 1057 1 3 . 1 1 30 30 ILE CA C 30 65.361 65.361 64.967 0.394 18438 1058 1 3 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.267 0.355 18438 1059 1 3 . 1 1 30 30 ILE H H 30 8.505 8.505 8.345 0.160 18438 1060 1 3 . 1 1 31 31 TYR N N 31 119.439 119.439 120.658 -1.219 18438 1061 1 3 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.013 -0.045 18438 1062 1 3 . 1 1 31 31 TYR C C 31 175.513 175.513 177.449 -1.936 18438 1063 1 3 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.953 -1.053 18438 1064 1 3 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.192 -0.253 18438 1065 1 3 . 1 1 31 31 TYR H H 31 9.231 9.231 8.042 1.189 18438 1066 1 3 . 1 1 32 32 THR N N 32 113.378 113.378 113.701 -0.323 18438 1067 1 3 . 1 1 32 32 THR HA H 32 3.314 3.314 3.818 -0.504 18438 1068 1 3 . 1 1 32 32 THR C C 32 175.435 175.435 176.358 -0.923 18438 1069 1 3 . 1 1 32 32 THR CA C 32 66.900 66.900 66.871 0.029 18438 1070 1 3 . 1 1 32 32 THR CB C 32 68.631 68.631 68.292 0.339 18438 1071 1 3 . 1 1 32 32 THR H H 32 7.936 7.936 7.774 0.162 18438 1072 1 3 . 1 1 33 33 GLU N N 33 117.565 117.565 119.241 -1.676 18438 1073 1 3 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.193 -0.143 18438 1074 1 3 . 1 1 33 33 GLU C C 33 178.716 178.716 178.723 -0.007 18438 1075 1 3 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.975 -0.775 18438 1076 1 3 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.080 0.883 18438 1077 1 3 . 1 1 33 33 GLU H H 33 7.359 7.359 7.620 -0.261 18438 1078 1 3 . 1 1 34 34 ALA N N 34 124.323 124.323 123.230 1.093 18438 1079 1 3 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.856 -0.227 18438 1080 1 3 . 1 1 34 34 ALA C C 34 177.232 177.232 178.121 -0.889 18438 1081 1 3 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.734 -0.080 18438 1082 1 3 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.505 -0.214 18438 1083 1 3 . 1 1 34 34 ALA H H 34 8.940 8.940 7.656 1.284 18438 1084 1 3 . 1 1 35 35 LYS N N 35 110.920 110.920 113.864 -2.944 18438 1085 1 3 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.855 -0.076 18438 1086 1 3 . 1 1 35 35 LYS C C 35 176.060 176.060 176.870 -0.810 18438 1087 1 3 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.199 -0.495 18438 1088 1 3 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.284 -0.486 18438 1089 1 3 . 1 1 35 35 LYS H H 35 7.277 7.277 7.297 -0.020 18438 1090 1 3 . 1 1 36 36 LYS N N 36 116.850 116.850 118.411 -1.561 18438 1091 1 3 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.096 -0.176 18438 1092 1 3 . 1 1 36 36 LYS C C 36 177.544 177.544 176.229 1.315 18438 1093 1 3 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.556 0.227 18438 1094 1 3 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.216 0.828 18438 1095 1 3 . 1 1 36 36 LYS H H 36 6.808 6.808 7.198 -0.390 18438 1096 1 3 . 1 1 37 37 VAL N N 37 120.331 120.331 116.366 3.965 18438 1097 1 3 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.381 -0.237 18438 1098 1 3 . 1 1 37 37 VAL C C 37 177.134 177.134 174.764 2.370 18438 1099 1 3 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.042 2.186 18438 1100 1 3 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.197 -0.136 18438 1101 1 3 . 1 1 37 37 VAL H H 37 7.413 7.413 7.098 0.315 18438 1102 1 3 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.489 -0.183 18438 1103 1 3 . 1 1 38 38 PRO C C 38 176.763 176.763 176.913 -0.150 18438 1104 1 3 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.544 0.876 18438 1105 1 3 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.203 -0.241 18438 1106 1 3 . 1 1 39 39 TRP N N 39 110.211 110.211 116.889 -6.678 18438 1107 1 3 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.600 0.124 18438 1108 1 3 . 1 1 39 39 TRP C C 39 176.216 176.216 176.073 0.143 18438 1109 1 3 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.246 -1.746 18438 1110 1 3 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.484 0.443 18438 1111 1 3 . 1 1 39 39 TRP H H 39 6.356 6.356 7.653 -1.297 18438 1112 1 3 . 1 1 40 40 PHE N N 40 124.624 124.624 122.868 1.756 18438 1113 1 3 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.098 -0.402 18438 1114 1 3 . 1 1 40 40 PHE C C 40 174.966 174.966 175.101 -0.135 18438 1115 1 3 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.463 1.745 18438 1116 1 3 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.268 0.510 18438 1117 1 3 . 1 1 40 40 PHE H H 40 7.282 7.282 6.755 0.527 18438 1118 1 3 . 1 1 41 41 ASP N N 41 127.204 127.204 128.350 -1.146 18438 1119 1 3 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.685 -0.043 18438 1120 1 3 . 1 1 41 41 ASP C C 41 175.904 175.904 176.384 -0.480 18438 1121 1 3 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.698 -0.369 18438 1122 1 3 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.362 -1.082 18438 1123 1 3 . 1 1 41 41 ASP H H 41 7.038 7.038 8.141 -1.103 18438 1124 1 3 . 1 1 42 42 GLN N N 42 125.531 125.531 123.743 1.788 18438 1125 1 3 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.540 -0.363 18438 1126 1 3 . 1 1 42 42 GLN C C 42 178.169 178.169 176.681 1.488 18438 1127 1 3 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.316 0.644 18438 1128 1 3 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.390 -0.868 18438 1129 1 3 . 1 1 42 42 GLN H H 42 9.072 9.072 8.919 0.153 18438 1130 1 3 . 1 1 43 43 GLN N N 43 118.221 118.221 117.343 0.878 18438 1131 1 3 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.498 -0.171 18438 1132 1 3 . 1 1 43 43 GLN C C 43 177.154 177.154 177.153 0.001 18438 1133 1 3 . 1 1 43 43 GLN CA C 43 58.141 58.141 56.952 1.189 18438 1134 1 3 . 1 1 43 43 GLN CB C 43 29.254 29.254 30.564 -1.310 18438 1135 1 3 . 1 1 43 43 GLN H H 43 8.356 8.356 7.970 0.386 18438 1136 1 3 . 1 1 44 44 ASN N N 44 115.402 115.402 118.200 -2.798 18438 1137 1 3 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.358 0.373 18438 1138 1 3 . 1 1 44 44 ASN C C 44 175.200 175.200 177.019 -1.819 18438 1139 1 3 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.465 -1.865 18438 1140 1 3 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.348 2.711 18438 1141 1 3 . 1 1 44 44 ASN H H 44 8.163 8.163 8.333 -0.170 18438 1142 1 3 . 1 1 45 45 GLY N N 45 109.680 109.680 108.200 1.480 18438 1143 1 3 . 1 1 45 45 GLY C C 45 175.200 175.200 175.378 -0.178 18438 1144 1 3 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.181 2.019 18438 1145 1 3 . 1 1 45 45 GLY H H 45 8.094 8.094 7.997 0.097 18438 1146 1 3 . 1 1 46 46 ARG N N 46 121.367 121.367 120.868 0.499 18438 1147 1 3 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.397 -0.508 18438 1148 1 3 . 1 1 46 46 ARG C C 46 178.091 178.091 177.850 0.241 18438 1149 1 3 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.650 1.220 18438 1150 1 3 . 1 1 46 46 ARG CB C 46 29.283 29.283 30.195 -0.912 18438 1151 1 3 . 1 1 46 46 ARG H H 46 8.893 8.893 7.679 1.214 18438 1152 1 3 . 1 1 47 47 THR N N 47 116.630 116.630 116.879 -0.249 18438 1153 1 3 . 1 1 47 47 THR HA H 47 3.668 3.668 4.053 -0.385 18438 1154 1 3 . 1 1 47 47 THR C C 47 176.060 176.060 176.831 -0.771 18438 1155 1 3 . 1 1 47 47 THR CA C 47 66.345 66.345 67.102 -0.757 18438 1156 1 3 . 1 1 47 47 THR CB C 47 67.794 67.794 68.282 -0.488 18438 1157 1 3 . 1 1 47 47 THR H H 47 7.397 7.397 7.699 -0.302 18438 1158 1 3 . 1 1 48 48 TYR N N 48 120.826 120.826 120.435 0.391 18438 1159 1 3 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.318 0.095 18438 1160 1 3 . 1 1 48 48 TYR C C 48 180.279 180.279 178.042 2.237 18438 1161 1 3 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.706 -1.786 18438 1162 1 3 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.802 -1.702 18438 1163 1 3 . 1 1 48 48 TYR H H 48 7.529 7.529 7.663 -0.134 18438 1164 1 3 . 1 1 49 49 LEU N N 49 120.670 120.670 121.628 -0.958 18438 1165 1 3 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.218 -0.155 18438 1166 1 3 . 1 1 49 49 LEU C C 49 178.091 178.091 179.027 -0.936 18438 1167 1 3 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.379 0.880 18438 1168 1 3 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.997 0.262 18438 1169 1 3 . 1 1 49 49 LEU H H 49 8.847 8.847 8.248 0.599 18438 1170 1 3 . 1 1 50 50 LYS N N 50 119.596 119.596 119.801 -0.205 18438 1171 1 3 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.827 -0.057 18438 1172 1 3 . 1 1 50 50 LYS C C 50 179.263 179.263 179.261 0.002 18438 1173 1 3 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.623 1.014 18438 1174 1 3 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.234 -0.236 18438 1175 1 3 . 1 1 50 50 LYS H H 50 8.001 8.001 8.067 -0.066 18438 1176 1 3 . 1 1 51 51 TYR N N 51 118.606 118.606 118.344 0.262 18438 1177 1 3 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.303 -0.004 18438 1178 1 3 . 1 1 51 51 TYR C C 51 179.107 179.107 177.834 1.273 18438 1179 1 3 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.329 -1.091 18438 1180 1 3 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.849 -1.512 18438 1181 1 3 . 1 1 51 51 TYR H H 51 8.274 8.274 8.148 0.126 18438 1182 1 3 . 1 1 52 52 SER N N 52 117.699 117.699 116.649 1.050 18438 1183 1 3 . 1 1 52 52 SER HA H 52 4.227 4.227 4.133 0.094 18438 1184 1 3 . 1 1 52 52 SER C C 52 175.669 175.669 176.971 -1.302 18438 1185 1 3 . 1 1 52 52 SER CA C 52 63.312 63.312 61.809 1.503 18438 1186 1 3 . 1 1 52 52 SER CB C 52 63.520 63.520 63.154 0.366 18438 1187 1 3 . 1 1 52 52 SER H H 52 8.303 8.303 7.993 0.310 18438 1188 1 3 . 1 1 53 53 ILE N N 53 121.571 121.571 123.211 -1.640 18438 1189 1 3 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.508 -0.227 18438 1190 1 3 . 1 1 53 53 ILE C C 53 176.685 176.685 177.466 -0.781 18438 1191 1 3 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.418 0.621 18438 1192 1 3 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.408 0.113 18438 1193 1 3 . 1 1 53 53 ILE H H 53 8.543 8.543 8.408 0.135 18438 1194 1 3 . 1 1 54 54 LYS N N 54 117.799 117.799 120.015 -2.216 18438 1195 1 3 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.878 -0.001 18438 1196 1 3 . 1 1 54 54 LYS C C 54 179.107 179.107 178.806 0.301 18438 1197 1 3 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.659 0.193 18438 1198 1 3 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.268 -0.254 18438 1199 1 3 . 1 1 54 54 LYS H H 54 7.572 7.572 7.543 0.029 18438 1200 1 3 . 1 1 55 55 ALA N N 55 121.284 121.284 121.309 -0.025 18438 1201 1 3 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.191 -0.076 18438 1202 1 3 . 1 1 55 55 ALA C C 55 180.201 180.201 180.053 0.148 18438 1203 1 3 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.846 0.152 18438 1204 1 3 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.332 -0.412 18438 1205 1 3 . 1 1 55 55 ALA H H 55 7.669 7.669 8.105 -0.436 18438 1206 1 3 . 1 1 56 56 LEU N N 56 119.236 119.236 118.828 0.408 18438 1207 1 3 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.080 0.340 18438 1208 1 3 . 1 1 56 56 LEU C C 56 179.966 179.966 178.754 1.212 18438 1209 1 3 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.226 -1.132 18438 1210 1 3 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.950 0.411 18438 1211 1 3 . 1 1 56 56 LEU H H 56 8.302 8.302 7.894 0.408 18438 1212 1 3 . 1 1 57 57 VAL N N 57 122.357 122.357 119.284 3.073 18438 1213 1 3 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.958 0.409 18438 1214 1 3 . 1 1 57 57 VAL C C 57 180.669 180.669 178.890 1.779 18438 1215 1 3 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.698 -0.592 18438 1216 1 3 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.639 0.367 18438 1217 1 3 . 1 1 57 57 VAL H H 57 8.555 8.555 8.129 0.426 18438 1218 1 3 . 1 1 58 58 GLN N N 58 120.472 120.472 119.130 1.342 18438 1219 1 3 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.091 0.034 18438 1220 1 3 . 1 1 58 58 GLN C C 58 177.154 177.154 176.923 0.231 18438 1221 1 3 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.587 0.233 18438 1222 1 3 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.755 -0.555 18438 1223 1 3 . 1 1 58 58 GLN H H 58 8.078 8.078 7.979 0.099 18438 1224 1 3 . 1 1 59 59 ASN N N 59 114.176 114.176 116.446 -2.270 18438 1225 1 3 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.843 0.036 18438 1226 1 3 . 1 1 59 59 ASN C C 59 175.122 175.122 174.383 0.739 18438 1227 1 3 . 1 1 59 59 ASN CA C 59 51.580 51.580 54.254 -2.674 18438 1228 1 3 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.355 -1.659 18438 1229 1 3 . 1 1 59 59 ASN H H 59 7.704 7.704 7.788 -0.084 18438 1230 1 3 . 1 1 60 60 ASP N N 60 113.376 113.376 114.188 -0.812 18438 1231 1 3 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.402 0.061 18438 1232 1 3 . 1 1 60 60 ASP C C 60 175.279 175.279 176.325 -1.046 18438 1233 1 3 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.910 0.162 18438 1234 1 3 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.961 0.948 18438 1235 1 3 . 1 1 60 60 ASP H H 60 7.900 7.900 7.474 0.426 18438 1236 1 3 . 1 1 61 61 THR N N 61 117.382 117.382 111.490 5.892 18438 1237 1 3 . 1 1 61 61 THR HA H 61 4.097 4.097 4.258 -0.161 18438 1238 1 3 . 1 1 61 61 THR C C 61 174.966 174.966 174.166 0.800 18438 1239 1 3 . 1 1 61 61 THR CA C 61 67.141 67.141 65.581 1.560 18438 1240 1 3 . 1 1 61 61 THR CB C 61 68.143 68.143 69.709 -1.566 18438 1241 1 3 . 1 1 61 61 THR H H 61 8.776 8.776 8.257 0.519 18438 1242 1 3 . 1 1 62 62 LEU N N 62 118.406 118.406 120.209 -1.803 18438 1243 1 3 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.123 0.040 18438 1244 1 3 . 1 1 62 62 LEU C C 62 175.122 175.122 175.541 -0.419 18438 1245 1 3 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.536 -1.695 18438 1246 1 3 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.146 0.319 18438 1247 1 3 . 1 1 62 62 LEU H H 62 7.653 7.653 7.507 0.146 18438 1248 1 3 . 1 1 63 63 LEU N N 63 119.075 119.075 121.818 -2.743 18438 1249 1 3 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.798 -0.148 18438 1250 1 3 . 1 1 63 63 LEU C C 63 175.904 175.904 175.945 -0.041 18438 1251 1 3 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.669 -0.645 18438 1252 1 3 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.382 0.659 18438 1253 1 3 . 1 1 63 63 LEU H H 63 9.145 9.145 8.906 0.239 18438 1254 1 3 . 1 1 64 64 GLN N N 64 123.978 123.978 124.174 -0.196 18438 1255 1 3 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.707 -0.131 18438 1256 1 3 . 1 1 64 64 GLN C C 64 175.435 175.435 175.575 -0.140 18438 1257 1 3 . 1 1 64 64 GLN CA C 64 55.026 55.026 54.977 0.049 18438 1258 1 3 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.010 1.246 18438 1259 1 3 . 1 1 64 64 GLN H H 64 8.995 8.995 8.868 0.127 18438 1260 1 3 . 1 1 65 65 VAL N N 65 126.750 126.750 127.489 -0.739 18438 1261 1 3 . 1 1 65 65 VAL HA H 65 4.025 4.025 3.968 0.057 18438 1262 1 3 . 1 1 65 65 VAL C C 65 175.747 175.747 174.480 1.267 18438 1263 1 3 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.737 -0.817 18438 1264 1 3 . 1 1 65 65 VAL CB C 65 32.502 32.502 30.402 2.100 18438 1265 1 3 . 1 1 65 65 VAL H H 65 8.520 8.520 8.403 0.117 18438 1266 1 3 . 1 1 66 66 LYS N N 66 124.150 124.150 125.608 -1.458 18438 1267 1 3 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.986 -0.774 18438 1268 1 3 . 1 1 66 66 LYS C C 66 176.607 176.607 177.622 -1.015 18438 1269 1 3 . 1 1 66 66 LYS CA C 66 56.776 56.776 54.892 1.885 18438 1270 1 3 . 1 1 66 66 LYS CB C 66 33.019 33.019 35.872 -2.853 18438 1271 1 3 . 1 1 66 66 LYS H H 66 8.311 8.311 7.749 0.562 18438 1272 1 3 . 1 1 67 67 GLY N N 67 109.952 109.952 114.304 -4.352 18438 1273 1 3 . 1 1 67 67 GLY C C 67 173.716 173.716 175.084 -1.368 18438 1274 1 3 . 1 1 67 67 GLY CA C 67 44.902 44.902 46.420 -1.518 18438 1275 1 3 . 1 1 67 67 GLY H H 67 8.401 8.401 9.016 -0.615 18438 1276 1 3 . 1 1 68 68 THR N N 68 111.619 111.619 120.725 -9.106 18438 1277 1 3 . 1 1 68 68 THR HA H 68 4.399 4.399 4.210 0.189 18438 1278 1 3 . 1 1 68 68 THR C C 68 175.279 175.279 175.022 0.257 18438 1279 1 3 . 1 1 68 68 THR CA C 68 61.243 61.243 61.939 -0.696 18438 1280 1 3 . 1 1 68 68 THR CB C 68 69.860 69.860 67.326 2.534 18438 1281 1 3 . 1 1 68 68 THR H H 68 8.032 8.032 7.742 0.290 18438 1282 1 3 . 1 1 69 69 GLY N N 69 111.951 111.951 111.281 0.670 18438 1283 1 3 . 1 1 69 69 GLY C C 69 174.572 174.572 173.169 1.403 18438 1284 1 3 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.558 0.022 18438 1285 1 3 . 1 1 69 69 GLY H H 69 8.581 8.581 7.854 0.727 18438 1286 1 3 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.375 -0.073 18438 1287 1 3 . 1 1 70 70 ALA C C 70 177.774 177.774 175.165 2.609 18438 1288 1 3 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.323 1.738 18438 1289 1 3 . 1 1 70 70 ALA CB C 70 18.921 18.921 21.529 -2.608 18438 1290 1 3 . 1 1 71 71 ASN N N 71 115.782 115.782 121.097 -5.315 18438 1291 1 3 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.676 0.204 18438 1292 1 3 . 1 1 71 71 ASN C C 71 174.966 174.966 175.503 -0.537 18438 1293 1 3 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.787 -1.043 18438 1294 1 3 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.142 0.075 18438 1295 1 3 . 1 1 71 71 ASN H H 71 8.151 8.151 8.905 -0.754 18438 1296 1 3 . 1 1 72 72 GLY N N 72 107.783 107.783 106.241 1.542 18438 1297 1 3 . 1 1 72 72 GLY C C 72 172.700 172.700 172.634 0.066 18438 1298 1 3 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.578 0.324 18438 1299 1 3 . 1 1 72 72 GLY H H 72 8.051 8.051 7.866 0.185 18438 1300 1 3 . 1 1 73 73 SER N N 73 114.063 114.063 116.959 -2.896 18438 1301 1 3 . 1 1 73 73 SER HA H 73 4.484 4.484 4.879 -0.395 18438 1302 1 3 . 1 1 73 73 SER C C 73 172.480 172.480 172.518 -0.038 18438 1303 1 3 . 1 1 73 73 SER CA C 73 56.717 56.717 57.037 -0.320 18438 1304 1 3 . 1 1 73 73 SER CB C 73 65.043 65.043 65.016 0.027 18438 1305 1 3 . 1 1 73 73 SER H H 73 7.761 7.761 7.935 -0.174 18438 1306 1 3 . 1 1 74 74 PHE N N 74 119.449 119.449 118.136 1.313 18438 1307 1 3 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.450 0.032 18438 1308 1 3 . 1 1 74 74 PHE C C 74 174.185 174.185 175.254 -1.069 18438 1309 1 3 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.742 0.719 18438 1310 1 3 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.227 -0.216 18438 1311 1 3 . 1 1 74 74 PHE H H 74 8.489 8.489 7.852 0.637 18438 1312 1 3 . 1 1 75 75 LYS N N 75 119.294 119.294 121.293 -1.999 18438 1313 1 3 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.858 0.101 18438 1314 1 3 . 1 1 75 75 LYS C C 75 175.669 175.669 175.248 0.421 18438 1315 1 3 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.739 -1.335 18438 1316 1 3 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.937 0.302 18438 1317 1 3 . 1 1 75 75 LYS H H 75 8.894 8.894 8.739 0.155 18438 1318 1 3 . 1 1 76 76 LEU N N 76 121.201 121.201 121.287 -0.086 18438 1319 1 3 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.467 -0.095 18438 1320 1 3 . 1 1 76 76 LEU C C 76 177.075 177.075 177.239 -0.164 18438 1321 1 3 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.940 0.838 18438 1322 1 3 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.248 -0.607 18438 1323 1 3 . 1 1 76 76 LEU H H 76 9.023 9.023 8.466 0.557 18438 1324 1 3 . 1 1 77 77 ASN N N 77 120.222 120.222 120.928 -0.706 18438 1325 1 3 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.767 -0.094 18438 1326 1 3 . 1 1 77 77 ASN C C 77 175.669 175.669 176.445 -0.776 18438 1327 1 3 . 1 1 77 77 ASN CA C 77 51.802 51.802 52.548 -0.746 18438 1328 1 3 . 1 1 77 77 ASN CB C 77 37.863 37.863 40.481 -2.618 18438 1329 1 3 . 1 1 77 77 ASN H H 77 8.333 8.333 8.445 -0.112 18438 1330 1 3 . 1 1 78 78 ARG N N 78 125.225 125.225 121.434 3.791 18438 1331 1 3 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.106 0.107 18438 1332 1 3 . 1 1 78 78 ARG C C 78 176.607 176.607 176.921 -0.314 18438 1333 1 3 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.411 -1.035 18438 1334 1 3 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.381 -0.340 18438 1335 1 3 . 1 1 78 78 ARG H H 78 8.373 8.373 8.829 -0.456 18438 1336 1 3 . 1 1 79 79 LYS N N 79 119.831 119.831 115.190 4.641 18438 1337 1 3 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.485 -0.280 18438 1338 1 3 . 1 1 79 79 LYS C C 79 177.075 177.075 175.598 1.477 18438 1339 1 3 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.085 1.058 18438 1340 1 3 . 1 1 79 79 LYS CB C 79 32.341 32.341 33.108 -0.767 18438 1341 1 3 . 1 1 79 79 LYS H H 79 8.095 8.095 8.029 0.066 18438 1342 1 3 . 1 1 80 80 LYS N N 80 119.767 119.767 120.584 -0.817 18438 1343 1 3 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.416 -0.112 18438 1344 1 3 . 1 1 80 80 LYS C C 80 176.607 176.607 176.885 -0.278 18438 1345 1 3 . 1 1 80 80 LYS CA C 80 56.085 56.085 56.698 -0.613 18438 1346 1 3 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.649 1.368 18438 1347 1 3 . 1 1 80 80 LYS H H 80 7.671 7.671 8.358 -0.687 18438 1348 1 3 . 1 1 81 81 LEU N N 81 121.868 121.868 120.962 0.906 18438 1349 1 3 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.001 0.356 18438 1350 1 3 . 1 1 81 81 LEU C C 81 177.214 177.214 177.433 -0.219 18438 1351 1 3 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.530 -2.159 18438 1352 1 3 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.256 0.231 18438 1353 1 3 . 1 1 81 81 LEU H H 81 7.996 7.996 8.122 -0.126 18438 1354 1 3 . 1 1 82 82 GLU N N 82 120.499 120.499 116.653 3.846 18438 1355 1 3 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.121 0.221 18438 1356 1 3 . 1 1 82 82 GLU C C 82 175.875 175.875 176.616 -0.741 18438 1357 1 3 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.476 -0.145 18438 1358 1 3 . 1 1 82 82 GLU CB C 82 30.322 30.322 28.714 1.608 18438 1359 1 3 . 1 1 82 82 GLU H H 82 8.262 8.262 8.442 -0.180 18438 1360 1 4 . 1 1 3 3 MET HA H 3 4.270 4.270 4.192 0.078 18438 1361 1 4 . 1 1 3 3 MET C C 3 175.362 175.362 174.623 0.739 18438 1362 1 4 . 1 1 3 3 MET CA C 3 55.318 55.318 56.036 -0.718 18438 1363 1 4 . 1 1 3 3 MET CB C 3 32.724 32.724 31.149 1.575 18438 1364 1 4 . 1 1 4 4 GLN N N 4 122.983 122.983 122.081 0.902 18438 1365 1 4 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.827 -0.264 18438 1366 1 4 . 1 1 4 4 GLN C C 4 173.835 173.835 173.879 -0.044 18438 1367 1 4 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.276 0.245 18438 1368 1 4 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.477 -0.712 18438 1369 1 4 . 1 1 4 4 GLN H H 4 8.267 8.267 8.178 0.089 18438 1370 1 4 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.458 -0.490 18438 1371 1 4 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.783 1.209 18438 1372 1 4 . 1 1 5 5 PRO CB C 5 31.696 31.696 30.635 1.061 18438 1373 1 4 . 1 1 6 6 GLY C C 6 175.512 175.512 174.664 0.848 18438 1374 1 4 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.328 1.708 18438 1375 1 4 . 1 1 7 7 LYS N N 7 121.187 121.187 126.544 -5.357 18438 1376 1 4 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.143 0.009 18438 1377 1 4 . 1 1 7 7 LYS C C 7 179.107 179.107 177.690 1.417 18438 1378 1 4 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.324 -0.369 18438 1379 1 4 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.157 -0.516 18438 1380 1 4 . 1 1 7 7 LYS H H 7 7.788 7.788 8.174 -0.386 18438 1381 1 4 . 1 1 8 8 TYR N N 8 119.428 119.428 119.851 -0.423 18438 1382 1 4 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.632 -0.330 18438 1383 1 4 . 1 1 8 8 TYR C C 8 177.544 177.544 177.671 -0.127 18438 1384 1 4 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.551 2.049 18438 1385 1 4 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.793 0.377 18438 1386 1 4 . 1 1 8 8 TYR H H 8 8.197 8.197 8.384 -0.187 18438 1387 1 4 . 1 1 9 9 SER N N 9 116.845 116.845 114.759 2.086 18438 1388 1 4 . 1 1 9 9 SER HA H 9 4.241 4.241 4.241 0.000 18438 1389 1 4 . 1 1 9 9 SER C C 9 175.982 175.982 176.856 -0.874 18438 1390 1 4 . 1 1 9 9 SER CA C 9 62.258 62.258 61.286 0.972 18438 1391 1 4 . 1 1 9 9 SER CB C 9 62.254 62.254 62.483 -0.229 18438 1392 1 4 . 1 1 9 9 SER H H 9 8.279 8.279 8.315 -0.036 18438 1393 1 4 . 1 1 10 10 GLN N N 10 120.862 120.862 121.899 -1.037 18438 1394 1 4 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.049 0.037 18438 1395 1 4 . 1 1 10 10 GLN C C 10 177.779 177.779 178.431 -0.652 18438 1396 1 4 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.515 0.227 18438 1397 1 4 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.733 -0.833 18438 1398 1 4 . 1 1 10 10 GLN H H 10 7.765 7.765 7.778 -0.013 18438 1399 1 4 . 1 1 11 11 LEU N N 11 119.752 119.752 121.644 -1.892 18438 1400 1 4 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.342 0.052 18438 1401 1 4 . 1 1 11 11 LEU C C 11 180.357 180.357 178.859 1.498 18438 1402 1 4 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.621 0.094 18438 1403 1 4 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.886 0.052 18438 1404 1 4 . 1 1 11 11 LEU H H 11 7.805 7.805 7.800 0.005 18438 1405 1 4 . 1 1 12 12 VAL N N 12 122.619 122.619 118.739 3.880 18438 1406 1 4 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.503 -0.172 18438 1407 1 4 . 1 1 12 12 VAL C C 12 176.841 176.841 177.937 -1.096 18438 1408 1 4 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.104 1.313 18438 1409 1 4 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.543 -0.224 18438 1410 1 4 . 1 1 12 12 VAL H H 12 8.355 8.355 7.818 0.537 18438 1411 1 4 . 1 1 13 13 VAL N N 13 118.472 118.472 119.538 -1.066 18438 1412 1 4 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.561 -0.167 18438 1413 1 4 . 1 1 13 13 VAL C C 13 177.622 177.622 178.266 -0.644 18438 1414 1 4 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.718 1.049 18438 1415 1 4 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.461 0.443 18438 1416 1 4 . 1 1 13 13 VAL H H 13 7.636 7.636 7.400 0.236 18438 1417 1 4 . 1 1 14 14 GLU N N 14 117.137 117.137 119.423 -2.286 18438 1418 1 4 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.025 0.049 18438 1419 1 4 . 1 1 14 14 GLU C C 14 179.576 179.576 179.192 0.384 18438 1420 1 4 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.617 -0.788 18438 1421 1 4 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.508 -0.108 18438 1422 1 4 . 1 1 14 14 GLU H H 14 8.642 8.642 8.185 0.457 18438 1423 1 4 . 1 1 15 15 THR N N 15 116.678 116.678 117.592 -0.914 18438 1424 1 4 . 1 1 15 15 THR HA H 15 3.859 3.859 3.975 -0.116 18438 1425 1 4 . 1 1 15 15 THR C C 15 175.669 175.669 176.768 -1.099 18438 1426 1 4 . 1 1 15 15 THR CA C 15 67.743 67.743 67.107 0.636 18438 1427 1 4 . 1 1 15 15 THR CB C 15 67.761 67.761 68.782 -1.021 18438 1428 1 4 . 1 1 15 15 THR H H 15 8.354 8.354 8.073 0.281 18438 1429 1 4 . 1 1 16 16 ILE N N 16 121.241 121.241 120.419 0.822 18438 1430 1 4 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.824 -0.320 18438 1431 1 4 . 1 1 16 16 ILE C C 16 179.576 179.576 177.868 1.708 18438 1432 1 4 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.086 1.768 18438 1433 1 4 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.649 0.559 18438 1434 1 4 . 1 1 16 16 ILE H H 16 8.342 8.342 8.053 0.289 18438 1435 1 4 . 1 1 17 17 ARG N N 17 120.540 120.540 120.007 0.533 18438 1436 1 4 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.087 -0.104 18438 1437 1 4 . 1 1 17 17 ARG C C 17 178.482 178.482 178.448 0.034 18438 1438 1 4 . 1 1 17 17 ARG CA C 17 59.527 59.527 58.886 0.641 18438 1439 1 4 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.099 0.202 18438 1440 1 4 . 1 1 17 17 ARG H H 17 8.496 8.496 7.595 0.901 18438 1441 1 4 . 1 1 18 18 ARG N N 18 118.955 118.955 118.804 0.151 18438 1442 1 4 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.067 -0.077 18438 1443 1 4 . 1 1 18 18 ARG C C 18 178.794 178.794 178.317 0.477 18438 1444 1 4 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.661 0.353 18438 1445 1 4 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.140 -0.029 18438 1446 1 4 . 1 1 18 18 ARG H H 18 8.257 8.257 7.929 0.328 18438 1447 1 4 . 1 1 19 19 LEU N N 19 118.486 118.486 116.898 1.588 18438 1448 1 4 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.256 -0.203 18438 1449 1 4 . 1 1 19 19 LEU C C 19 179.419 179.419 178.209 1.210 18438 1450 1 4 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.697 1.405 18438 1451 1 4 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.619 -0.323 18438 1452 1 4 . 1 1 19 19 LEU H H 19 8.179 8.179 7.551 0.628 18438 1453 1 4 . 1 1 20 20 GLY N N 20 104.303 104.303 106.413 -2.110 18438 1454 1 4 . 1 1 20 20 GLY C C 20 175.200 175.200 174.475 0.725 18438 1455 1 4 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.329 2.156 18438 1456 1 4 . 1 1 20 20 GLY H H 20 7.520 7.520 8.126 -0.606 18438 1457 1 4 . 1 1 21 21 GLU N N 21 118.725 118.725 119.222 -0.497 18438 1458 1 4 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.212 0.008 18438 1459 1 4 . 1 1 21 21 GLU C C 21 179.280 179.280 176.806 2.474 18438 1460 1 4 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.196 1.373 18438 1461 1 4 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.570 -0.590 18438 1462 1 4 . 1 1 21 21 GLU H H 21 8.674 8.674 8.307 0.367 18438 1463 1 4 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.171 -0.166 18438 1464 1 4 . 1 1 22 22 ARG C C 22 177.150 177.150 176.385 0.765 18438 1465 1 4 . 1 1 22 22 ARG CA C 22 59.467 59.467 56.687 2.780 18438 1466 1 4 . 1 1 22 22 ARG CB C 22 29.953 29.953 29.788 0.165 18438 1467 1 4 . 1 1 23 23 ASN N N 23 114.707 114.707 117.438 -2.731 18438 1468 1 4 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.422 0.576 18438 1469 1 4 . 1 1 23 23 ASN C C 23 174.888 174.888 174.764 0.124 18438 1470 1 4 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.617 -1.716 18438 1471 1 4 . 1 1 23 23 ASN CB C 23 38.504 38.504 37.549 0.955 18438 1472 1 4 . 1 1 23 23 ASN H H 23 8.662 8.662 8.783 -0.121 18438 1473 1 4 . 1 1 24 24 GLY N N 24 104.147 104.147 104.097 0.050 18438 1474 1 4 . 1 1 24 24 GLY C C 24 172.075 172.075 173.207 -1.132 18438 1475 1 4 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.828 -0.128 18438 1476 1 4 . 1 1 24 24 GLY H H 24 7.130 7.130 7.700 -0.570 18438 1477 1 4 . 1 1 25 25 SER N N 25 113.134 113.134 117.679 -4.545 18438 1478 1 4 . 1 1 25 25 SER HA H 25 5.329 5.329 4.696 0.633 18438 1479 1 4 . 1 1 25 25 SER C C 25 173.716 173.716 174.717 -1.001 18438 1480 1 4 . 1 1 25 25 SER CA C 25 57.259 57.259 57.693 -0.434 18438 1481 1 4 . 1 1 25 25 SER CB C 25 66.600 66.600 64.887 1.713 18438 1482 1 4 . 1 1 25 25 SER H H 25 8.661 8.661 8.388 0.273 18438 1483 1 4 . 1 1 26 26 SER N N 26 121.159 121.159 122.148 -0.989 18438 1484 1 4 . 1 1 26 26 SER HA H 26 4.962 4.962 4.356 0.606 18438 1485 1 4 . 1 1 26 26 SER C C 26 174.732 174.732 175.935 -1.203 18438 1486 1 4 . 1 1 26 26 SER CA C 26 56.600 56.600 58.430 -1.830 18438 1487 1 4 . 1 1 26 26 SER CB C 26 65.369 65.369 63.549 1.820 18438 1488 1 4 . 1 1 26 26 SER H H 26 8.841 8.841 8.952 -0.111 18438 1489 1 4 . 1 1 27 27 LEU N N 27 121.372 121.372 125.263 -3.891 18438 1490 1 4 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.254 -0.149 18438 1491 1 4 . 1 1 27 27 LEU C C 27 177.935 177.935 178.520 -0.585 18438 1492 1 4 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.765 0.062 18438 1493 1 4 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.983 -1.042 18438 1494 1 4 . 1 1 27 27 LEU H H 27 9.303 9.303 9.129 0.174 18438 1495 1 4 . 1 1 28 28 ALA N N 28 119.606 119.606 120.591 -0.985 18438 1496 1 4 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.152 0.010 18438 1497 1 4 . 1 1 28 28 ALA C C 28 180.279 180.279 179.600 0.679 18438 1498 1 4 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.158 0.567 18438 1499 1 4 . 1 1 28 28 ALA CB C 28 18.247 18.247 17.997 0.250 18438 1500 1 4 . 1 1 28 28 ALA H H 28 8.509 8.509 8.274 0.235 18438 1501 1 4 . 1 1 29 29 LYS N N 29 120.138 120.138 119.559 0.579 18438 1502 1 4 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.140 -0.011 18438 1503 1 4 . 1 1 29 29 LYS C C 29 178.950 178.950 178.827 0.123 18438 1504 1 4 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.451 0.134 18438 1505 1 4 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.040 0.443 18438 1506 1 4 . 1 1 29 29 LYS H H 29 7.873 7.873 8.034 -0.161 18438 1507 1 4 . 1 1 30 30 ILE N N 30 119.535 119.535 119.888 -0.353 18438 1508 1 4 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.691 -0.186 18438 1509 1 4 . 1 1 30 30 ILE C C 30 177.466 177.466 177.476 -0.010 18438 1510 1 4 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.385 -0.023 18438 1511 1 4 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.227 0.395 18438 1512 1 4 . 1 1 30 30 ILE H H 30 8.505 8.505 8.371 0.134 18438 1513 1 4 . 1 1 31 31 TYR N N 31 119.439 119.439 120.677 -1.238 18438 1514 1 4 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.008 -0.040 18438 1515 1 4 . 1 1 31 31 TYR C C 31 175.513 175.513 177.287 -1.774 18438 1516 1 4 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.227 -1.327 18438 1517 1 4 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.203 -0.264 18438 1518 1 4 . 1 1 31 31 TYR H H 31 9.231 9.231 8.115 1.116 18438 1519 1 4 . 1 1 32 32 THR N N 32 113.378 113.378 114.445 -1.067 18438 1520 1 4 . 1 1 32 32 THR HA H 32 3.314 3.314 3.947 -0.633 18438 1521 1 4 . 1 1 32 32 THR C C 32 175.435 175.435 175.804 -0.369 18438 1522 1 4 . 1 1 32 32 THR CA C 32 66.900 66.900 66.141 0.759 18438 1523 1 4 . 1 1 32 32 THR CB C 32 68.631 68.631 68.498 0.133 18438 1524 1 4 . 1 1 32 32 THR H H 32 7.936 7.936 7.736 0.200 18438 1525 1 4 . 1 1 33 33 GLU N N 33 117.565 117.565 119.376 -1.811 18438 1526 1 4 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.232 -0.182 18438 1527 1 4 . 1 1 33 33 GLU C C 33 178.716 178.716 177.566 1.150 18438 1528 1 4 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.511 -0.311 18438 1529 1 4 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.468 0.495 18438 1530 1 4 . 1 1 33 33 GLU H H 33 7.359 7.359 7.770 -0.411 18438 1531 1 4 . 1 1 34 34 ALA N N 34 124.323 124.323 122.067 2.256 18438 1532 1 4 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.834 -0.205 18438 1533 1 4 . 1 1 34 34 ALA C C 34 177.232 177.232 178.203 -0.971 18438 1534 1 4 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.218 0.436 18438 1535 1 4 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.492 -0.201 18438 1536 1 4 . 1 1 34 34 ALA H H 34 8.940 8.940 7.708 1.232 18438 1537 1 4 . 1 1 35 35 LYS N N 35 110.920 110.920 113.963 -3.043 18438 1538 1 4 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.300 -0.521 18438 1539 1 4 . 1 1 35 35 LYS C C 35 176.060 176.060 176.967 -0.907 18438 1540 1 4 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.059 -0.355 18438 1541 1 4 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.677 -0.879 18438 1542 1 4 . 1 1 35 35 LYS H H 35 7.277 7.277 7.267 0.010 18438 1543 1 4 . 1 1 36 36 LYS N N 36 116.850 116.850 119.331 -2.481 18438 1544 1 4 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.142 -0.222 18438 1545 1 4 . 1 1 36 36 LYS C C 36 177.544 177.544 175.909 1.635 18438 1546 1 4 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.239 0.544 18438 1547 1 4 . 1 1 36 36 LYS CB C 36 33.044 33.044 31.935 1.109 18438 1548 1 4 . 1 1 36 36 LYS H H 36 6.808 6.808 7.183 -0.375 18438 1549 1 4 . 1 1 37 37 VAL N N 37 120.331 120.331 118.272 2.059 18438 1550 1 4 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.404 -0.260 18438 1551 1 4 . 1 1 37 37 VAL C C 37 177.134 177.134 175.248 1.886 18438 1552 1 4 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.035 2.193 18438 1553 1 4 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.889 -0.828 18438 1554 1 4 . 1 1 37 37 VAL H H 37 7.413 7.413 7.120 0.293 18438 1555 1 4 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.318 -0.012 18438 1556 1 4 . 1 1 38 38 PRO C C 38 176.763 176.763 176.681 0.082 18438 1557 1 4 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.770 0.650 18438 1558 1 4 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.993 -0.032 18438 1559 1 4 . 1 1 39 39 TRP N N 39 110.211 110.211 116.206 -5.995 18438 1560 1 4 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.707 0.017 18438 1561 1 4 . 1 1 39 39 TRP C C 39 176.216 176.216 175.978 0.238 18438 1562 1 4 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.953 -1.453 18438 1563 1 4 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.825 0.102 18438 1564 1 4 . 1 1 39 39 TRP H H 39 6.356 6.356 7.345 -0.989 18438 1565 1 4 . 1 1 40 40 PHE N N 40 124.624 124.624 123.658 0.966 18438 1566 1 4 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.070 -0.374 18438 1567 1 4 . 1 1 40 40 PHE C C 40 174.966 174.966 174.939 0.027 18438 1568 1 4 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.839 1.369 18438 1569 1 4 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.421 0.357 18438 1570 1 4 . 1 1 40 40 PHE H H 40 7.282 7.282 7.050 0.232 18438 1571 1 4 . 1 1 41 41 ASP N N 41 127.204 127.204 126.199 1.005 18438 1572 1 4 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.790 -0.148 18438 1573 1 4 . 1 1 41 41 ASP C C 41 175.904 175.904 176.423 -0.519 18438 1574 1 4 . 1 1 41 41 ASP CA C 41 53.329 53.329 52.956 0.373 18438 1575 1 4 . 1 1 41 41 ASP CB C 41 41.280 41.280 43.577 -2.297 18438 1576 1 4 . 1 1 41 41 ASP H H 41 7.038 7.038 7.861 -0.823 18438 1577 1 4 . 1 1 42 42 GLN N N 42 125.531 125.531 123.308 2.223 18438 1578 1 4 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.357 -0.180 18438 1579 1 4 . 1 1 42 42 GLN C C 42 178.169 178.169 177.903 0.266 18438 1580 1 4 . 1 1 42 42 GLN CA C 42 57.959 57.959 58.765 -0.806 18438 1581 1 4 . 1 1 42 42 GLN CB C 42 27.522 27.522 29.055 -1.533 18438 1582 1 4 . 1 1 42 42 GLN H H 42 9.072 9.072 8.805 0.267 18438 1583 1 4 . 1 1 43 43 GLN N N 43 118.221 118.221 120.198 -1.977 18438 1584 1 4 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.146 0.181 18438 1585 1 4 . 1 1 43 43 GLN C C 43 177.154 177.154 178.205 -1.051 18438 1586 1 4 . 1 1 43 43 GLN CA C 43 58.141 58.141 58.288 -0.147 18438 1587 1 4 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.055 0.199 18438 1588 1 4 . 1 1 43 43 GLN H H 43 8.356 8.356 8.049 0.307 18438 1589 1 4 . 1 1 44 44 ASN N N 44 115.402 115.402 117.671 -2.269 18438 1590 1 4 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.264 0.467 18438 1591 1 4 . 1 1 44 44 ASN C C 44 175.200 175.200 176.992 -1.792 18438 1592 1 4 . 1 1 44 44 ASN CA C 44 52.600 52.600 55.406 -2.805 18438 1593 1 4 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.239 2.820 18438 1594 1 4 . 1 1 44 44 ASN H H 44 8.163 8.163 8.436 -0.273 18438 1595 1 4 . 1 1 45 45 GLY N N 45 109.680 109.680 108.407 1.273 18438 1596 1 4 . 1 1 45 45 GLY C C 45 175.200 175.200 175.713 -0.513 18438 1597 1 4 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.383 1.817 18438 1598 1 4 . 1 1 45 45 GLY H H 45 8.094 8.094 7.672 0.422 18438 1599 1 4 . 1 1 46 46 ARG N N 46 121.367 121.367 120.767 0.600 18438 1600 1 4 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.348 -0.459 18438 1601 1 4 . 1 1 46 46 ARG C C 46 178.091 178.091 178.202 -0.111 18438 1602 1 4 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.297 1.573 18438 1603 1 4 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.402 -0.119 18438 1604 1 4 . 1 1 46 46 ARG H H 46 8.893 8.893 8.221 0.672 18438 1605 1 4 . 1 1 47 47 THR N N 47 116.630 116.630 115.992 0.638 18438 1606 1 4 . 1 1 47 47 THR HA H 47 3.668 3.668 4.100 -0.432 18438 1607 1 4 . 1 1 47 47 THR C C 47 176.060 176.060 176.977 -0.917 18438 1608 1 4 . 1 1 47 47 THR CA C 47 66.345 66.345 67.265 -0.920 18438 1609 1 4 . 1 1 47 47 THR CB C 47 67.794 67.794 68.153 -0.359 18438 1610 1 4 . 1 1 47 47 THR H H 47 7.397 7.397 7.373 0.024 18438 1611 1 4 . 1 1 48 48 TYR N N 48 120.826 120.826 120.565 0.261 18438 1612 1 4 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.255 0.158 18438 1613 1 4 . 1 1 48 48 TYR C C 48 180.279 180.279 178.213 2.066 18438 1614 1 4 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.466 -1.546 18438 1615 1 4 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.775 -1.675 18438 1616 1 4 . 1 1 48 48 TYR H H 48 7.529 7.529 7.703 -0.174 18438 1617 1 4 . 1 1 49 49 LEU N N 49 120.670 120.670 121.126 -0.456 18438 1618 1 4 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.143 -0.080 18438 1619 1 4 . 1 1 49 49 LEU C C 49 178.091 178.091 179.167 -1.076 18438 1620 1 4 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.765 0.494 18438 1621 1 4 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.949 0.310 18438 1622 1 4 . 1 1 49 49 LEU H H 49 8.847 8.847 8.478 0.369 18438 1623 1 4 . 1 1 50 50 LYS N N 50 119.596 119.596 119.209 0.387 18438 1624 1 4 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.875 -0.105 18438 1625 1 4 . 1 1 50 50 LYS C C 50 179.263 179.263 179.449 -0.186 18438 1626 1 4 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.379 1.258 18438 1627 1 4 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.213 -0.215 18438 1628 1 4 . 1 1 50 50 LYS H H 50 8.001 8.001 7.672 0.329 18438 1629 1 4 . 1 1 51 51 TYR N N 51 118.606 118.606 119.436 -0.830 18438 1630 1 4 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.314 -0.015 18438 1631 1 4 . 1 1 51 51 TYR C C 51 179.107 179.107 177.826 1.281 18438 1632 1 4 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.580 -1.342 18438 1633 1 4 . 1 1 51 51 TYR CB C 51 37.337 37.337 39.121 -1.784 18438 1634 1 4 . 1 1 51 51 TYR H H 51 8.274 8.274 8.290 -0.016 18438 1635 1 4 . 1 1 52 52 SER N N 52 117.699 117.699 116.582 1.117 18438 1636 1 4 . 1 1 52 52 SER HA H 52 4.227 4.227 4.134 0.093 18438 1637 1 4 . 1 1 52 52 SER C C 52 175.669 175.669 176.971 -1.302 18438 1638 1 4 . 1 1 52 52 SER CA C 52 63.312 63.312 62.324 0.988 18438 1639 1 4 . 1 1 52 52 SER CB C 52 63.520 63.520 63.017 0.503 18438 1640 1 4 . 1 1 52 52 SER H H 52 8.303 8.303 8.160 0.143 18438 1641 1 4 . 1 1 53 53 ILE N N 53 121.571 121.571 122.890 -1.319 18438 1642 1 4 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.561 -0.280 18438 1643 1 4 . 1 1 53 53 ILE C C 53 176.685 176.685 177.464 -0.779 18438 1644 1 4 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.334 0.705 18438 1645 1 4 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.242 0.280 18438 1646 1 4 . 1 1 53 53 ILE H H 53 8.543 8.543 8.402 0.141 18438 1647 1 4 . 1 1 54 54 LYS N N 54 117.799 117.799 120.018 -2.219 18438 1648 1 4 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.909 -0.032 18438 1649 1 4 . 1 1 54 54 LYS C C 54 179.107 179.107 178.778 0.329 18438 1650 1 4 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.143 0.709 18438 1651 1 4 . 1 1 54 54 LYS CB C 54 32.014 32.014 31.893 0.121 18438 1652 1 4 . 1 1 54 54 LYS H H 54 7.572 7.572 7.417 0.155 18438 1653 1 4 . 1 1 55 55 ALA N N 55 121.284 121.284 121.334 -0.050 18438 1654 1 4 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.152 -0.037 18438 1655 1 4 . 1 1 55 55 ALA C C 55 180.201 180.201 180.212 -0.011 18438 1656 1 4 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.938 0.059 18438 1657 1 4 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.247 -0.327 18438 1658 1 4 . 1 1 55 55 ALA H H 55 7.669 7.669 7.795 -0.126 18438 1659 1 4 . 1 1 56 56 LEU N N 56 119.236 119.236 118.801 0.435 18438 1660 1 4 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.333 0.087 18438 1661 1 4 . 1 1 56 56 LEU C C 56 179.966 179.966 179.261 0.705 18438 1662 1 4 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.167 -1.073 18438 1663 1 4 . 1 1 56 56 LEU CB C 56 42.361 42.361 42.009 0.352 18438 1664 1 4 . 1 1 56 56 LEU H H 56 8.302 8.302 7.955 0.347 18438 1665 1 4 . 1 1 57 57 VAL N N 57 122.357 122.357 119.217 3.140 18438 1666 1 4 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.967 0.400 18438 1667 1 4 . 1 1 57 57 VAL C C 57 180.669 180.669 178.859 1.810 18438 1668 1 4 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.805 -0.699 18438 1669 1 4 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.693 0.313 18438 1670 1 4 . 1 1 57 57 VAL H H 57 8.555 8.555 8.221 0.334 18438 1671 1 4 . 1 1 58 58 GLN N N 58 120.472 120.472 120.187 0.285 18438 1672 1 4 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.131 -0.006 18438 1673 1 4 . 1 1 58 58 GLN C C 58 177.154 177.154 177.103 0.051 18438 1674 1 4 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.574 0.246 18438 1675 1 4 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.948 -0.748 18438 1676 1 4 . 1 1 58 58 GLN H H 58 8.078 8.078 7.940 0.138 18438 1677 1 4 . 1 1 59 59 ASN N N 59 114.176 114.176 115.015 -0.839 18438 1678 1 4 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.820 0.059 18438 1679 1 4 . 1 1 59 59 ASN C C 59 175.122 175.122 174.247 0.875 18438 1680 1 4 . 1 1 59 59 ASN CA C 59 51.580 51.580 52.709 -1.129 18438 1681 1 4 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.231 -0.535 18438 1682 1 4 . 1 1 59 59 ASN H H 59 7.704 7.704 7.834 -0.130 18438 1683 1 4 . 1 1 60 60 ASP N N 60 113.376 113.376 113.843 -0.467 18438 1684 1 4 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.224 0.239 18438 1685 1 4 . 1 1 60 60 ASP C C 60 175.279 175.279 176.287 -1.008 18438 1686 1 4 . 1 1 60 60 ASP CA C 60 56.072 56.072 56.140 -0.068 18438 1687 1 4 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.829 1.080 18438 1688 1 4 . 1 1 60 60 ASP H H 60 7.900 7.900 7.578 0.322 18438 1689 1 4 . 1 1 61 61 THR N N 61 117.382 117.382 113.432 3.950 18438 1690 1 4 . 1 1 61 61 THR HA H 61 4.097 4.097 4.112 -0.015 18438 1691 1 4 . 1 1 61 61 THR C C 61 174.966 174.966 174.307 0.659 18438 1692 1 4 . 1 1 61 61 THR CA C 61 67.141 67.141 66.325 0.816 18438 1693 1 4 . 1 1 61 61 THR CB C 61 68.143 68.143 69.547 -1.404 18438 1694 1 4 . 1 1 61 61 THR H H 61 8.776 8.776 8.375 0.401 18438 1695 1 4 . 1 1 62 62 LEU N N 62 118.406 118.406 119.661 -1.255 18438 1696 1 4 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.210 -0.047 18438 1697 1 4 . 1 1 62 62 LEU C C 62 175.122 175.122 175.803 -0.681 18438 1698 1 4 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.429 -1.588 18438 1699 1 4 . 1 1 62 62 LEU CB C 62 45.465 45.465 44.982 0.483 18438 1700 1 4 . 1 1 62 62 LEU H H 62 7.653 7.653 7.585 0.068 18438 1701 1 4 . 1 1 63 63 LEU N N 63 119.075 119.075 121.530 -2.455 18438 1702 1 4 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.785 -0.135 18438 1703 1 4 . 1 1 63 63 LEU C C 63 175.904 175.904 175.697 0.207 18438 1704 1 4 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.757 -0.733 18438 1705 1 4 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.327 -0.285 18438 1706 1 4 . 1 1 63 63 LEU H H 63 9.145 9.145 8.694 0.451 18438 1707 1 4 . 1 1 64 64 GLN N N 64 123.978 123.978 124.921 -0.943 18438 1708 1 4 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.766 -0.190 18438 1709 1 4 . 1 1 64 64 GLN C C 64 175.435 175.435 175.311 0.124 18438 1710 1 4 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.506 -0.480 18438 1711 1 4 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.364 -0.108 18438 1712 1 4 . 1 1 64 64 GLN H H 64 8.995 8.995 8.792 0.203 18438 1713 1 4 . 1 1 65 65 VAL N N 65 126.750 126.750 129.547 -2.797 18438 1714 1 4 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.188 -0.163 18438 1715 1 4 . 1 1 65 65 VAL C C 65 175.747 175.747 174.751 0.996 18438 1716 1 4 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.400 0.520 18438 1717 1 4 . 1 1 65 65 VAL CB C 65 32.502 32.502 30.807 1.695 18438 1718 1 4 . 1 1 65 65 VAL H H 65 8.520 8.520 8.761 -0.241 18438 1719 1 4 . 1 1 66 66 LYS N N 66 124.150 124.150 125.767 -1.617 18438 1720 1 4 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.483 -0.271 18438 1721 1 4 . 1 1 66 66 LYS C C 66 176.607 176.607 176.405 0.202 18438 1722 1 4 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.026 0.750 18438 1723 1 4 . 1 1 66 66 LYS CB C 66 33.019 33.019 31.921 1.098 18438 1724 1 4 . 1 1 66 66 LYS H H 66 8.311 8.311 8.190 0.121 18438 1725 1 4 . 1 1 67 67 GLY N N 67 109.952 109.952 108.950 1.002 18438 1726 1 4 . 1 1 67 67 GLY C C 67 173.716 173.716 174.079 -0.363 18438 1727 1 4 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.675 -0.773 18438 1728 1 4 . 1 1 67 67 GLY H H 67 8.401 8.401 8.012 0.389 18438 1729 1 4 . 1 1 68 68 THR N N 68 111.619 111.619 114.190 -2.571 18438 1730 1 4 . 1 1 68 68 THR HA H 68 4.399 4.399 4.464 -0.065 18438 1731 1 4 . 1 1 68 68 THR C C 68 175.279 175.279 174.414 0.865 18438 1732 1 4 . 1 1 68 68 THR CA C 68 61.243 61.243 60.970 0.273 18438 1733 1 4 . 1 1 68 68 THR CB C 68 69.860 69.860 69.303 0.557 18438 1734 1 4 . 1 1 68 68 THR H H 68 8.032 8.032 8.238 -0.206 18438 1735 1 4 . 1 1 69 69 GLY N N 69 111.951 111.951 109.142 2.809 18438 1736 1 4 . 1 1 69 69 GLY C C 69 174.572 174.572 173.643 0.929 18438 1737 1 4 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.844 0.736 18438 1738 1 4 . 1 1 69 69 GLY H H 69 8.581 8.581 7.851 0.730 18438 1739 1 4 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.604 -0.302 18438 1740 1 4 . 1 1 70 70 ALA C C 70 177.774 177.774 176.346 1.428 18438 1741 1 4 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.965 1.096 18438 1742 1 4 . 1 1 70 70 ALA CB C 70 18.921 18.921 18.978 -0.057 18438 1743 1 4 . 1 1 71 71 ASN N N 71 115.782 115.782 116.611 -0.829 18438 1744 1 4 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.732 0.148 18438 1745 1 4 . 1 1 71 71 ASN C C 71 174.966 174.966 174.585 0.381 18438 1746 1 4 . 1 1 71 71 ASN CA C 71 52.744 52.744 51.996 0.748 18438 1747 1 4 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.485 -0.268 18438 1748 1 4 . 1 1 71 71 ASN H H 71 8.151 8.151 7.728 0.423 18438 1749 1 4 . 1 1 72 72 GLY N N 72 107.783 107.783 108.668 -0.885 18438 1750 1 4 . 1 1 72 72 GLY C C 72 172.700 172.700 173.532 -0.832 18438 1751 1 4 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.304 0.598 18438 1752 1 4 . 1 1 72 72 GLY H H 72 8.051 8.051 8.362 -0.311 18438 1753 1 4 . 1 1 73 73 SER N N 73 114.063 114.063 122.034 -7.971 18438 1754 1 4 . 1 1 73 73 SER HA H 73 4.484 4.484 4.263 0.221 18438 1755 1 4 . 1 1 73 73 SER C C 73 172.480 172.480 172.734 -0.254 18438 1756 1 4 . 1 1 73 73 SER CA C 73 56.717 56.717 57.586 -0.869 18438 1757 1 4 . 1 1 73 73 SER CB C 73 65.043 65.043 64.967 0.076 18438 1758 1 4 . 1 1 73 73 SER H H 73 7.761 7.761 8.032 -0.271 18438 1759 1 4 . 1 1 74 74 PHE N N 74 119.449 119.449 118.763 0.686 18438 1760 1 4 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.417 0.065 18438 1761 1 4 . 1 1 74 74 PHE C C 74 174.185 174.185 174.753 -0.568 18438 1762 1 4 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.475 0.986 18438 1763 1 4 . 1 1 74 74 PHE CB C 74 43.011 43.011 42.760 0.251 18438 1764 1 4 . 1 1 74 74 PHE H H 74 8.489 8.489 8.428 0.061 18438 1765 1 4 . 1 1 75 75 LYS N N 75 119.294 119.294 120.883 -1.589 18438 1766 1 4 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.847 0.112 18438 1767 1 4 . 1 1 75 75 LYS C C 75 175.669 175.669 174.492 1.177 18438 1768 1 4 . 1 1 75 75 LYS CA C 75 53.404 53.404 53.995 -0.591 18438 1769 1 4 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.067 1.172 18438 1770 1 4 . 1 1 75 75 LYS H H 75 8.894 8.894 8.808 0.086 18438 1771 1 4 . 1 1 76 76 LEU N N 76 121.201 121.201 120.543 0.658 18438 1772 1 4 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.427 -0.055 18438 1773 1 4 . 1 1 76 76 LEU C C 76 177.075 177.075 177.488 -0.413 18438 1774 1 4 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.111 0.667 18438 1775 1 4 . 1 1 76 76 LEU CB C 76 41.641 41.641 41.977 -0.336 18438 1776 1 4 . 1 1 76 76 LEU H H 76 9.023 9.023 8.578 0.445 18438 1777 1 4 . 1 1 77 77 ASN N N 77 120.222 120.222 122.622 -2.400 18438 1778 1 4 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.579 0.094 18438 1779 1 4 . 1 1 77 77 ASN C C 77 175.669 175.669 176.836 -1.167 18438 1780 1 4 . 1 1 77 77 ASN CA C 77 51.802 51.802 55.208 -3.406 18438 1781 1 4 . 1 1 77 77 ASN CB C 77 37.863 37.863 39.318 -1.455 18438 1782 1 4 . 1 1 77 77 ASN H H 77 8.333 8.333 8.520 -0.187 18438 1783 1 4 . 1 1 78 78 ARG N N 78 125.225 125.225 118.499 6.726 18438 1784 1 4 . 1 1 78 78 ARG HA H 78 4.213 4.213 3.948 0.265 18438 1785 1 4 . 1 1 78 78 ARG C C 78 176.607 176.607 176.890 -0.283 18438 1786 1 4 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.520 -1.144 18438 1787 1 4 . 1 1 78 78 ARG CB C 78 30.041 30.041 28.398 1.643 18438 1788 1 4 . 1 1 78 78 ARG H H 78 8.373 8.373 8.777 -0.404 18438 1789 1 4 . 1 1 79 79 LYS N N 79 119.831 119.831 121.398 -1.567 18438 1790 1 4 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.295 -0.090 18438 1791 1 4 . 1 1 79 79 LYS C C 79 177.075 177.075 177.662 -0.587 18438 1792 1 4 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.729 0.414 18438 1793 1 4 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.821 0.520 18438 1794 1 4 . 1 1 79 79 LYS H H 79 8.095 8.095 8.067 0.028 18438 1795 1 4 . 1 1 80 80 LYS N N 80 119.767 119.767 121.976 -2.209 18438 1796 1 4 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.052 0.252 18438 1797 1 4 . 1 1 80 80 LYS C C 80 176.607 176.607 177.359 -0.752 18438 1798 1 4 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.567 -2.482 18438 1799 1 4 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.327 1.690 18438 1800 1 4 . 1 1 80 80 LYS H H 80 7.671 7.671 8.097 -0.426 18438 1801 1 4 . 1 1 81 81 LEU N N 81 121.868 121.868 117.665 4.203 18438 1802 1 4 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.069 0.288 18438 1803 1 4 . 1 1 81 81 LEU C C 81 177.214 177.214 178.261 -1.047 18438 1804 1 4 . 1 1 81 81 LEU CA C 81 55.371 55.371 56.774 -1.403 18438 1805 1 4 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.149 0.338 18438 1806 1 4 . 1 1 81 81 LEU H H 81 7.996 7.996 7.757 0.239 18438 1807 1 4 . 1 1 82 82 GLU N N 82 120.499 120.499 119.892 0.607 18438 1808 1 4 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.248 0.094 18438 1809 1 4 . 1 1 82 82 GLU C C 82 175.875 175.875 175.829 0.046 18438 1810 1 4 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.490 -0.159 18438 1811 1 4 . 1 1 82 82 GLU CB C 82 30.322 30.322 29.259 1.063 18438 1812 1 4 . 1 1 82 82 GLU H H 82 8.262 8.262 7.743 0.519 18438 1813 1 5 . 1 1 3 3 MET HA H 3 4.270 4.270 4.511 -0.241 18438 1814 1 5 . 1 1 3 3 MET C C 3 175.362 175.362 174.615 0.747 18438 1815 1 5 . 1 1 3 3 MET CA C 3 55.318 55.318 55.499 -0.181 18438 1816 1 5 . 1 1 3 3 MET CB C 3 32.724 32.724 32.998 -0.274 18438 1817 1 5 . 1 1 4 4 GLN N N 4 122.983 122.983 121.657 1.326 18438 1818 1 5 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.007 0.556 18438 1819 1 5 . 1 1 4 4 GLN C C 4 173.835 173.835 174.757 -0.922 18438 1820 1 5 . 1 1 4 4 GLN CA C 4 53.521 53.521 56.056 -2.535 18438 1821 1 5 . 1 1 4 4 GLN CB C 4 28.765 28.765 27.292 1.473 18438 1822 1 5 . 1 1 4 4 GLN H H 4 8.267 8.267 8.479 -0.212 18438 1823 1 5 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.499 -0.531 18438 1824 1 5 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.597 1.395 18438 1825 1 5 . 1 1 5 5 PRO CB C 5 31.696 31.696 30.508 1.188 18438 1826 1 5 . 1 1 6 6 GLY C C 6 175.512 175.512 174.368 1.144 18438 1827 1 5 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.528 1.508 18438 1828 1 5 . 1 1 7 7 LYS N N 7 121.187 121.187 124.346 -3.159 18438 1829 1 5 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.360 -0.208 18438 1830 1 5 . 1 1 7 7 LYS C C 7 179.107 179.107 176.214 2.893 18438 1831 1 5 . 1 1 7 7 LYS CA C 7 57.955 57.955 55.717 2.238 18438 1832 1 5 . 1 1 7 7 LYS CB C 7 31.641 31.641 30.299 1.342 18438 1833 1 5 . 1 1 7 7 LYS H H 7 7.788 7.788 8.510 -0.722 18438 1834 1 5 . 1 1 8 8 TYR N N 8 119.428 119.428 121.584 -2.156 18438 1835 1 5 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.532 -0.230 18438 1836 1 5 . 1 1 8 8 TYR C C 8 177.544 177.544 177.696 -0.152 18438 1837 1 5 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.969 1.631 18438 1838 1 5 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.029 0.141 18438 1839 1 5 . 1 1 8 8 TYR H H 8 8.197 8.197 8.486 -0.289 18438 1840 1 5 . 1 1 9 9 SER N N 9 116.845 116.845 114.315 2.530 18438 1841 1 5 . 1 1 9 9 SER HA H 9 4.241 4.241 4.168 0.073 18438 1842 1 5 . 1 1 9 9 SER C C 9 175.982 175.982 176.605 -0.623 18438 1843 1 5 . 1 1 9 9 SER CA C 9 62.258 62.258 62.049 0.209 18438 1844 1 5 . 1 1 9 9 SER CB C 9 62.254 62.254 62.346 -0.091 18438 1845 1 5 . 1 1 9 9 SER H H 9 8.279 8.279 8.754 -0.475 18438 1846 1 5 . 1 1 10 10 GLN N N 10 120.862 120.862 120.891 -0.029 18438 1847 1 5 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.167 -0.081 18438 1848 1 5 . 1 1 10 10 GLN C C 10 177.779 177.779 178.355 -0.576 18438 1849 1 5 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.322 0.420 18438 1850 1 5 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.310 -0.410 18438 1851 1 5 . 1 1 10 10 GLN H H 10 7.765 7.765 8.284 -0.519 18438 1852 1 5 . 1 1 11 11 LEU N N 11 119.752 119.752 121.807 -2.055 18438 1853 1 5 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.476 -0.082 18438 1854 1 5 . 1 1 11 11 LEU C C 11 180.357 180.357 178.622 1.735 18438 1855 1 5 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.422 0.293 18438 1856 1 5 . 1 1 11 11 LEU CB C 11 41.938 41.938 42.012 -0.074 18438 1857 1 5 . 1 1 11 11 LEU H H 11 7.805 7.805 8.048 -0.243 18438 1858 1 5 . 1 1 12 12 VAL N N 12 122.619 122.619 119.182 3.437 18438 1859 1 5 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.527 -0.196 18438 1860 1 5 . 1 1 12 12 VAL C C 12 176.841 176.841 177.898 -1.057 18438 1861 1 5 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.043 1.374 18438 1862 1 5 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.579 -0.260 18438 1863 1 5 . 1 1 12 12 VAL H H 12 8.355 8.355 7.592 0.763 18438 1864 1 5 . 1 1 13 13 VAL N N 13 118.472 118.472 119.381 -0.909 18438 1865 1 5 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.537 -0.143 18438 1866 1 5 . 1 1 13 13 VAL C C 13 177.622 177.622 178.179 -0.557 18438 1867 1 5 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.734 1.034 18438 1868 1 5 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.355 0.549 18438 1869 1 5 . 1 1 13 13 VAL H H 13 7.636 7.636 7.503 0.133 18438 1870 1 5 . 1 1 14 14 GLU N N 14 117.137 117.137 119.583 -2.446 18438 1871 1 5 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.022 0.052 18438 1872 1 5 . 1 1 14 14 GLU C C 14 179.576 179.576 179.072 0.504 18438 1873 1 5 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.630 -0.801 18438 1874 1 5 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.535 -0.135 18438 1875 1 5 . 1 1 14 14 GLU H H 14 8.642 8.642 8.022 0.620 18438 1876 1 5 . 1 1 15 15 THR N N 15 116.678 116.678 116.761 -0.083 18438 1877 1 5 . 1 1 15 15 THR HA H 15 3.859 3.859 4.017 -0.158 18438 1878 1 5 . 1 1 15 15 THR C C 15 175.669 175.669 176.597 -0.928 18438 1879 1 5 . 1 1 15 15 THR CA C 15 67.743 67.743 67.506 0.237 18438 1880 1 5 . 1 1 15 15 THR CB C 15 67.761 67.761 68.537 -0.776 18438 1881 1 5 . 1 1 15 15 THR H H 15 8.354 8.354 8.027 0.327 18438 1882 1 5 . 1 1 16 16 ILE N N 16 121.241 121.241 119.597 1.644 18438 1883 1 5 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.684 -0.180 18438 1884 1 5 . 1 1 16 16 ILE C C 16 179.576 179.576 177.867 1.709 18438 1885 1 5 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.735 1.119 18438 1886 1 5 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.812 0.396 18438 1887 1 5 . 1 1 16 16 ILE H H 16 8.342 8.342 7.903 0.439 18438 1888 1 5 . 1 1 17 17 ARG N N 17 120.540 120.540 120.387 0.153 18438 1889 1 5 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.085 -0.103 18438 1890 1 5 . 1 1 17 17 ARG C C 17 178.482 178.482 178.015 0.467 18438 1891 1 5 . 1 1 17 17 ARG CA C 17 59.527 59.527 58.931 0.596 18438 1892 1 5 . 1 1 17 17 ARG CB C 17 30.302 30.302 29.867 0.435 18438 1893 1 5 . 1 1 17 17 ARG H H 17 8.496 8.496 7.798 0.698 18438 1894 1 5 . 1 1 18 18 ARG N N 18 118.955 118.955 118.369 0.586 18438 1895 1 5 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.105 -0.115 18438 1896 1 5 . 1 1 18 18 ARG C C 18 178.794 178.794 178.357 0.437 18438 1897 1 5 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.581 0.434 18438 1898 1 5 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.248 -0.138 18438 1899 1 5 . 1 1 18 18 ARG H H 18 8.257 8.257 8.018 0.239 18438 1900 1 5 . 1 1 19 19 LEU N N 19 118.486 118.486 116.657 1.829 18438 1901 1 5 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.224 -0.171 18438 1902 1 5 . 1 1 19 19 LEU C C 19 179.419 179.419 178.047 1.372 18438 1903 1 5 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.600 1.502 18438 1904 1 5 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.523 -0.227 18438 1905 1 5 . 1 1 19 19 LEU H H 19 8.179 8.179 7.824 0.355 18438 1906 1 5 . 1 1 20 20 GLY N N 20 104.303 104.303 106.108 -1.805 18438 1907 1 5 . 1 1 20 20 GLY C C 20 175.200 175.200 174.917 0.283 18438 1908 1 5 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.345 2.140 18438 1909 1 5 . 1 1 20 20 GLY H H 20 7.520 7.520 7.825 -0.305 18438 1910 1 5 . 1 1 21 21 GLU N N 21 118.725 118.725 120.539 -1.814 18438 1911 1 5 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.310 -0.090 18438 1912 1 5 . 1 1 21 21 GLU C C 21 179.280 179.280 176.649 2.631 18438 1913 1 5 . 1 1 21 21 GLU CA C 21 57.569 57.569 55.907 1.663 18438 1914 1 5 . 1 1 21 21 GLU CB C 21 29.980 29.980 28.358 1.622 18438 1915 1 5 . 1 1 21 21 GLU H H 21 8.674 8.674 7.690 0.984 18438 1916 1 5 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.027 -0.022 18438 1917 1 5 . 1 1 22 22 ARG C C 22 177.150 177.150 176.715 0.435 18438 1918 1 5 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.777 0.690 18438 1919 1 5 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.248 -0.295 18438 1920 1 5 . 1 1 23 23 ASN N N 23 114.707 114.707 116.852 -2.145 18438 1921 1 5 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.648 0.350 18438 1922 1 5 . 1 1 23 23 ASN C C 23 174.888 174.888 174.376 0.512 18438 1923 1 5 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.031 -1.131 18438 1924 1 5 . 1 1 23 23 ASN CB C 23 38.504 38.504 39.253 -0.749 18438 1925 1 5 . 1 1 23 23 ASN H H 23 8.662 8.662 8.295 0.367 18438 1926 1 5 . 1 1 24 24 GLY N N 24 104.147 104.147 105.678 -1.531 18438 1927 1 5 . 1 1 24 24 GLY C C 24 172.075 172.075 172.927 -0.852 18438 1928 1 5 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.538 0.163 18438 1929 1 5 . 1 1 24 24 GLY H H 24 7.130 7.130 7.578 -0.448 18438 1930 1 5 . 1 1 25 25 SER N N 25 113.134 113.134 116.889 -3.755 18438 1931 1 5 . 1 1 25 25 SER HA H 25 5.329 5.329 4.897 0.432 18438 1932 1 5 . 1 1 25 25 SER C C 25 173.716 173.716 175.197 -1.481 18438 1933 1 5 . 1 1 25 25 SER CA C 25 57.259 57.259 56.362 0.897 18438 1934 1 5 . 1 1 25 25 SER CB C 25 66.600 66.600 65.137 1.463 18438 1935 1 5 . 1 1 25 25 SER H H 25 8.661 8.661 8.437 0.224 18438 1936 1 5 . 1 1 26 26 SER N N 26 121.159 121.159 121.269 -0.110 18438 1937 1 5 . 1 1 26 26 SER HA H 26 4.962 4.962 4.550 0.412 18438 1938 1 5 . 1 1 26 26 SER C C 26 174.732 174.732 175.943 -1.211 18438 1939 1 5 . 1 1 26 26 SER CA C 26 56.600 56.600 58.464 -1.864 18438 1940 1 5 . 1 1 26 26 SER CB C 26 65.369 65.369 64.081 1.288 18438 1941 1 5 . 1 1 26 26 SER H H 26 8.841 8.841 8.524 0.317 18438 1942 1 5 . 1 1 27 27 LEU N N 27 121.372 121.372 124.757 -3.385 18438 1943 1 5 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.188 -0.083 18438 1944 1 5 . 1 1 27 27 LEU C C 27 177.935 177.935 177.970 -0.035 18438 1945 1 5 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.135 0.692 18438 1946 1 5 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.772 -0.831 18438 1947 1 5 . 1 1 27 27 LEU H H 27 9.303 9.303 8.428 0.875 18438 1948 1 5 . 1 1 28 28 ALA N N 28 119.606 119.606 120.452 -0.846 18438 1949 1 5 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.005 0.157 18438 1950 1 5 . 1 1 28 28 ALA C C 28 180.279 180.279 179.600 0.679 18438 1951 1 5 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.203 0.522 18438 1952 1 5 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.019 0.228 18438 1953 1 5 . 1 1 28 28 ALA H H 28 8.509 8.509 8.433 0.076 18438 1954 1 5 . 1 1 29 29 LYS N N 29 120.138 120.138 119.675 0.463 18438 1955 1 5 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.145 -0.016 18438 1956 1 5 . 1 1 29 29 LYS C C 29 178.950 178.950 178.872 0.078 18438 1957 1 5 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.408 0.177 18438 1958 1 5 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.063 0.420 18438 1959 1 5 . 1 1 29 29 LYS H H 29 7.873 7.873 7.452 0.421 18438 1960 1 5 . 1 1 30 30 ILE N N 30 119.535 119.535 119.841 -0.306 18438 1961 1 5 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.671 -0.166 18438 1962 1 5 . 1 1 30 30 ILE C C 30 177.466 177.466 177.664 -0.198 18438 1963 1 5 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.654 -0.293 18438 1964 1 5 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.113 0.509 18438 1965 1 5 . 1 1 30 30 ILE H H 30 8.505 8.505 8.273 0.232 18438 1966 1 5 . 1 1 31 31 TYR N N 31 119.439 119.439 120.620 -1.181 18438 1967 1 5 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.017 -0.049 18438 1968 1 5 . 1 1 31 31 TYR C C 31 175.513 175.513 177.506 -1.993 18438 1969 1 5 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.014 -1.114 18438 1970 1 5 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.300 -0.361 18438 1971 1 5 . 1 1 31 31 TYR H H 31 9.231 9.231 8.244 0.987 18438 1972 1 5 . 1 1 32 32 THR N N 32 113.378 113.378 114.850 -1.472 18438 1973 1 5 . 1 1 32 32 THR HA H 32 3.314 3.314 3.811 -0.497 18438 1974 1 5 . 1 1 32 32 THR C C 32 175.435 175.435 176.012 -0.577 18438 1975 1 5 . 1 1 32 32 THR CA C 32 66.900 66.900 65.942 0.958 18438 1976 1 5 . 1 1 32 32 THR CB C 32 68.631 68.631 68.676 -0.045 18438 1977 1 5 . 1 1 32 32 THR H H 32 7.936 7.936 7.861 0.075 18438 1978 1 5 . 1 1 33 33 GLU N N 33 117.565 117.565 119.613 -2.048 18438 1979 1 5 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.199 -0.149 18438 1980 1 5 . 1 1 33 33 GLU C C 33 178.716 178.716 178.218 0.498 18438 1981 1 5 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.121 -0.921 18438 1982 1 5 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.352 0.611 18438 1983 1 5 . 1 1 33 33 GLU H H 33 7.359 7.359 7.623 -0.264 18438 1984 1 5 . 1 1 34 34 ALA N N 34 124.323 124.323 122.464 1.859 18438 1985 1 5 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.942 -0.314 18438 1986 1 5 . 1 1 34 34 ALA C C 34 177.232 177.232 178.092 -0.860 18438 1987 1 5 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.358 0.296 18438 1988 1 5 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.675 -0.385 18438 1989 1 5 . 1 1 34 34 ALA H H 34 8.940 8.940 7.626 1.314 18438 1990 1 5 . 1 1 35 35 LYS N N 35 110.920 110.920 113.825 -2.905 18438 1991 1 5 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.841 -0.062 18438 1992 1 5 . 1 1 35 35 LYS C C 35 176.060 176.060 176.786 -0.726 18438 1993 1 5 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.809 -0.105 18438 1994 1 5 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.303 -0.505 18438 1995 1 5 . 1 1 35 35 LYS H H 35 7.277 7.277 7.169 0.108 18438 1996 1 5 . 1 1 36 36 LYS N N 36 116.850 116.850 118.781 -1.931 18438 1997 1 5 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.140 -0.220 18438 1998 1 5 . 1 1 36 36 LYS C C 36 177.544 177.544 176.267 1.277 18438 1999 1 5 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.372 0.411 18438 2000 1 5 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.327 0.717 18438 2001 1 5 . 1 1 36 36 LYS H H 36 6.808 6.808 7.229 -0.421 18438 2002 1 5 . 1 1 37 37 VAL N N 37 120.331 120.331 117.302 3.029 18438 2003 1 5 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.361 -0.217 18438 2004 1 5 . 1 1 37 37 VAL C C 37 177.134 177.134 175.257 1.877 18438 2005 1 5 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.217 2.011 18438 2006 1 5 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.895 0.166 18438 2007 1 5 . 1 1 37 37 VAL H H 37 7.413 7.413 7.116 0.297 18438 2008 1 5 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.441 -0.135 18438 2009 1 5 . 1 1 38 38 PRO C C 38 176.763 176.763 176.857 -0.094 18438 2010 1 5 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.551 0.869 18438 2011 1 5 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.114 -0.153 18438 2012 1 5 . 1 1 39 39 TRP N N 39 110.211 110.211 116.800 -6.589 18438 2013 1 5 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.638 0.086 18438 2014 1 5 . 1 1 39 39 TRP C C 39 176.216 176.216 175.816 0.400 18438 2015 1 5 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.493 -1.993 18438 2016 1 5 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.659 0.268 18438 2017 1 5 . 1 1 39 39 TRP H H 39 6.356 6.356 7.572 -1.216 18438 2018 1 5 . 1 1 40 40 PHE N N 40 124.624 124.624 123.306 1.318 18438 2019 1 5 . 1 1 40 40 PHE HA H 40 3.696 3.696 3.908 -0.212 18438 2020 1 5 . 1 1 40 40 PHE C C 40 174.966 174.966 175.102 -0.136 18438 2021 1 5 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.480 1.728 18438 2022 1 5 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.289 0.489 18438 2023 1 5 . 1 1 40 40 PHE H H 40 7.282 7.282 6.839 0.443 18438 2024 1 5 . 1 1 41 41 ASP N N 41 127.204 127.204 128.469 -1.265 18438 2025 1 5 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.622 0.020 18438 2026 1 5 . 1 1 41 41 ASP C C 41 175.904 175.904 176.520 -0.616 18438 2027 1 5 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.371 -0.042 18438 2028 1 5 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.093 -0.813 18438 2029 1 5 . 1 1 41 41 ASP H H 41 7.038 7.038 8.141 -1.103 18438 2030 1 5 . 1 1 42 42 GLN N N 42 125.531 125.531 124.400 1.131 18438 2031 1 5 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.457 -0.280 18438 2032 1 5 . 1 1 42 42 GLN C C 42 178.169 178.169 177.288 0.881 18438 2033 1 5 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.642 0.317 18438 2034 1 5 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.655 -1.133 18438 2035 1 5 . 1 1 42 42 GLN H H 42 9.072 9.072 8.878 0.194 18438 2036 1 5 . 1 1 43 43 GLN N N 43 118.221 118.221 118.663 -0.442 18438 2037 1 5 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.293 0.034 18438 2038 1 5 . 1 1 43 43 GLN C C 43 177.154 177.154 177.220 -0.066 18438 2039 1 5 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.587 0.554 18438 2040 1 5 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.281 -0.027 18438 2041 1 5 . 1 1 43 43 GLN H H 43 8.356 8.356 7.820 0.536 18438 2042 1 5 . 1 1 44 44 ASN N N 44 115.402 115.402 115.601 -0.199 18438 2043 1 5 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.596 0.135 18438 2044 1 5 . 1 1 44 44 ASN C C 44 175.200 175.200 176.111 -0.911 18438 2045 1 5 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.313 -0.714 18438 2046 1 5 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.844 2.215 18438 2047 1 5 . 1 1 44 44 ASN H H 44 8.163 8.163 8.215 -0.052 18438 2048 1 5 . 1 1 45 45 GLY N N 45 109.680 109.680 108.967 0.713 18438 2049 1 5 . 1 1 45 45 GLY C C 45 175.200 175.200 175.531 -0.331 18438 2050 1 5 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.528 1.672 18438 2051 1 5 . 1 1 45 45 GLY H H 45 8.094 8.094 7.864 0.230 18438 2052 1 5 . 1 1 46 46 ARG N N 46 121.367 121.367 120.303 1.064 18438 2053 1 5 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.336 -0.447 18438 2054 1 5 . 1 1 46 46 ARG C C 46 178.091 178.091 178.114 -0.023 18438 2055 1 5 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.283 1.587 18438 2056 1 5 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.266 0.017 18438 2057 1 5 . 1 1 46 46 ARG H H 46 8.893 8.893 8.280 0.613 18438 2058 1 5 . 1 1 47 47 THR N N 47 116.630 116.630 116.769 -0.139 18438 2059 1 5 . 1 1 47 47 THR HA H 47 3.668 3.668 4.083 -0.415 18438 2060 1 5 . 1 1 47 47 THR C C 47 176.060 176.060 177.050 -0.990 18438 2061 1 5 . 1 1 47 47 THR CA C 47 66.345 66.345 67.274 -0.929 18438 2062 1 5 . 1 1 47 47 THR CB C 47 67.794 67.794 68.205 -0.411 18438 2063 1 5 . 1 1 47 47 THR H H 47 7.397 7.397 7.483 -0.086 18438 2064 1 5 . 1 1 48 48 TYR N N 48 120.826 120.826 120.891 -0.065 18438 2065 1 5 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.226 0.187 18438 2066 1 5 . 1 1 48 48 TYR C C 48 180.279 180.279 178.190 2.089 18438 2067 1 5 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.575 -1.655 18438 2068 1 5 . 1 1 48 48 TYR CB C 48 35.100 35.100 37.008 -1.908 18438 2069 1 5 . 1 1 48 48 TYR H H 48 7.529 7.529 7.605 -0.076 18438 2070 1 5 . 1 1 49 49 LEU N N 49 120.670 120.670 119.485 1.185 18438 2071 1 5 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.034 0.029 18438 2072 1 5 . 1 1 49 49 LEU C C 49 178.091 178.091 178.982 -0.891 18438 2073 1 5 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.009 0.250 18438 2074 1 5 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.685 0.574 18438 2075 1 5 . 1 1 49 49 LEU H H 49 8.847 8.847 8.539 0.308 18438 2076 1 5 . 1 1 50 50 LYS N N 50 119.596 119.596 119.956 -0.360 18438 2077 1 5 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.798 -0.028 18438 2078 1 5 . 1 1 50 50 LYS C C 50 179.263 179.263 179.116 0.147 18438 2079 1 5 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.710 0.927 18438 2080 1 5 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.230 -0.232 18438 2081 1 5 . 1 1 50 50 LYS H H 50 8.001 8.001 8.037 -0.036 18438 2082 1 5 . 1 1 51 51 TYR N N 51 118.606 118.606 117.697 0.909 18438 2083 1 5 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.370 -0.071 18438 2084 1 5 . 1 1 51 51 TYR C C 51 179.107 179.107 178.427 0.680 18438 2085 1 5 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.137 -0.899 18438 2086 1 5 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.450 -1.113 18438 2087 1 5 . 1 1 51 51 TYR H H 51 8.274 8.274 8.156 0.118 18438 2088 1 5 . 1 1 52 52 SER N N 52 117.699 117.699 116.900 0.799 18438 2089 1 5 . 1 1 52 52 SER HA H 52 4.227 4.227 4.223 0.004 18438 2090 1 5 . 1 1 52 52 SER C C 52 175.669 175.669 176.503 -0.834 18438 2091 1 5 . 1 1 52 52 SER CA C 52 63.312 63.312 62.477 0.834 18438 2092 1 5 . 1 1 52 52 SER CB C 52 63.520 63.520 63.019 0.501 18438 2093 1 5 . 1 1 52 52 SER H H 52 8.303 8.303 8.123 0.180 18438 2094 1 5 . 1 1 53 53 ILE N N 53 121.571 121.571 122.091 -0.520 18438 2095 1 5 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.460 -0.179 18438 2096 1 5 . 1 1 53 53 ILE C C 53 176.685 176.685 177.380 -0.695 18438 2097 1 5 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.760 0.279 18438 2098 1 5 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.412 0.110 18438 2099 1 5 . 1 1 53 53 ILE H H 53 8.543 8.543 8.384 0.159 18438 2100 1 5 . 1 1 54 54 LYS N N 54 117.799 117.799 119.514 -1.715 18438 2101 1 5 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.790 0.087 18438 2102 1 5 . 1 1 54 54 LYS C C 54 179.107 179.107 178.893 0.214 18438 2103 1 5 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.594 0.258 18438 2104 1 5 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.250 -0.236 18438 2105 1 5 . 1 1 54 54 LYS H H 54 7.572 7.572 7.449 0.123 18438 2106 1 5 . 1 1 55 55 ALA N N 55 121.284 121.284 122.132 -0.848 18438 2107 1 5 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.194 -0.079 18438 2108 1 5 . 1 1 55 55 ALA C C 55 180.201 180.201 179.866 0.335 18438 2109 1 5 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.930 0.067 18438 2110 1 5 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.322 -0.402 18438 2111 1 5 . 1 1 55 55 ALA H H 55 7.669 7.669 7.918 -0.249 18438 2112 1 5 . 1 1 56 56 LEU N N 56 119.236 119.236 118.654 0.582 18438 2113 1 5 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.070 0.350 18438 2114 1 5 . 1 1 56 56 LEU C C 56 179.966 179.966 178.695 1.271 18438 2115 1 5 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.364 -1.270 18438 2116 1 5 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.668 0.693 18438 2117 1 5 . 1 1 56 56 LEU H H 56 8.302 8.302 7.947 0.355 18438 2118 1 5 . 1 1 57 57 VAL N N 57 122.357 122.357 119.563 2.794 18438 2119 1 5 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.004 0.363 18438 2120 1 5 . 1 1 57 57 VAL C C 57 180.669 180.669 178.642 2.027 18438 2121 1 5 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.122 -1.016 18438 2122 1 5 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.540 0.466 18438 2123 1 5 . 1 1 57 57 VAL H H 57 8.555 8.555 7.916 0.639 18438 2124 1 5 . 1 1 58 58 GLN N N 58 120.472 120.472 119.293 1.179 18438 2125 1 5 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.106 0.019 18438 2126 1 5 . 1 1 58 58 GLN C C 58 177.154 177.154 177.418 -0.264 18438 2127 1 5 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.383 0.437 18438 2128 1 5 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.744 -0.544 18438 2129 1 5 . 1 1 58 58 GLN H H 58 8.078 8.078 7.638 0.440 18438 2130 1 5 . 1 1 59 59 ASN N N 59 114.176 114.176 116.318 -2.142 18438 2131 1 5 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.770 0.109 18438 2132 1 5 . 1 1 59 59 ASN C C 59 175.122 175.122 174.047 1.075 18438 2133 1 5 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.879 -2.299 18438 2134 1 5 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.882 -1.186 18438 2135 1 5 . 1 1 59 59 ASN H H 59 7.704 7.704 7.958 -0.254 18438 2136 1 5 . 1 1 60 60 ASP N N 60 113.376 113.376 113.803 -0.427 18438 2137 1 5 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.350 0.113 18438 2138 1 5 . 1 1 60 60 ASP C C 60 175.279 175.279 176.937 -1.658 18438 2139 1 5 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.809 0.263 18438 2140 1 5 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.230 0.679 18438 2141 1 5 . 1 1 60 60 ASP H H 60 7.900 7.900 7.623 0.277 18438 2142 1 5 . 1 1 61 61 THR N N 61 117.382 117.382 113.238 4.144 18438 2143 1 5 . 1 1 61 61 THR HA H 61 4.097 4.097 4.309 -0.212 18438 2144 1 5 . 1 1 61 61 THR C C 61 174.966 174.966 174.045 0.921 18438 2145 1 5 . 1 1 61 61 THR CA C 61 67.141 67.141 65.335 1.806 18438 2146 1 5 . 1 1 61 61 THR CB C 61 68.143 68.143 69.976 -1.833 18438 2147 1 5 . 1 1 61 61 THR H H 61 8.776 8.776 8.403 0.373 18438 2148 1 5 . 1 1 62 62 LEU N N 62 118.406 118.406 120.493 -2.087 18438 2149 1 5 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.321 -0.158 18438 2150 1 5 . 1 1 62 62 LEU C C 62 175.122 175.122 175.481 -0.359 18438 2151 1 5 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.267 -1.426 18438 2152 1 5 . 1 1 62 62 LEU CB C 62 45.465 45.465 46.303 -0.838 18438 2153 1 5 . 1 1 62 62 LEU H H 62 7.653 7.653 7.683 -0.030 18438 2154 1 5 . 1 1 63 63 LEU N N 63 119.075 119.075 121.994 -2.919 18438 2155 1 5 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.752 -0.102 18438 2156 1 5 . 1 1 63 63 LEU C C 63 175.904 175.904 175.724 0.180 18438 2157 1 5 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.842 -0.818 18438 2158 1 5 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.492 0.548 18438 2159 1 5 . 1 1 63 63 LEU H H 63 9.145 9.145 8.828 0.317 18438 2160 1 5 . 1 1 64 64 GLN N N 64 123.978 123.978 123.967 0.011 18438 2161 1 5 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.764 -0.188 18438 2162 1 5 . 1 1 64 64 GLN C C 64 175.435 175.435 175.039 0.396 18438 2163 1 5 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.048 -0.022 18438 2164 1 5 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.362 -0.106 18438 2165 1 5 . 1 1 64 64 GLN H H 64 8.995 8.995 8.648 0.347 18438 2166 1 5 . 1 1 65 65 VAL N N 65 126.750 126.750 125.779 0.971 18438 2167 1 5 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.427 -0.402 18438 2168 1 5 . 1 1 65 65 VAL C C 65 175.747 175.747 174.467 1.280 18438 2169 1 5 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.060 0.860 18438 2170 1 5 . 1 1 65 65 VAL CB C 65 32.502 32.502 34.343 -1.841 18438 2171 1 5 . 1 1 65 65 VAL H H 65 8.520 8.520 8.738 -0.218 18438 2172 1 5 . 1 1 66 66 LYS N N 66 124.150 124.150 125.490 -1.340 18438 2173 1 5 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.481 -0.269 18438 2174 1 5 . 1 1 66 66 LYS C C 66 176.607 176.607 177.930 -1.323 18438 2175 1 5 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.886 0.890 18438 2176 1 5 . 1 1 66 66 LYS CB C 66 33.019 33.019 33.319 -0.300 18438 2177 1 5 . 1 1 66 66 LYS H H 66 8.311 8.311 8.429 -0.118 18438 2178 1 5 . 1 1 67 67 GLY N N 67 109.952 109.952 110.028 -0.076 18438 2179 1 5 . 1 1 67 67 GLY C C 67 173.716 173.716 174.949 -1.233 18438 2180 1 5 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.647 -0.745 18438 2181 1 5 . 1 1 67 67 GLY H H 67 8.401 8.401 8.736 -0.335 18438 2182 1 5 . 1 1 68 68 THR N N 68 111.619 111.619 116.751 -5.132 18438 2183 1 5 . 1 1 68 68 THR HA H 68 4.399 4.399 4.423 -0.024 18438 2184 1 5 . 1 1 68 68 THR C C 68 175.279 175.279 176.093 -0.814 18438 2185 1 5 . 1 1 68 68 THR CA C 68 61.243 61.243 62.089 -0.846 18438 2186 1 5 . 1 1 68 68 THR CB C 68 69.860 69.860 70.062 -0.202 18438 2187 1 5 . 1 1 68 68 THR H H 68 8.032 8.032 7.667 0.365 18438 2188 1 5 . 1 1 69 69 GLY N N 69 111.951 111.951 112.672 -0.721 18438 2189 1 5 . 1 1 69 69 GLY C C 69 174.572 174.572 173.211 1.361 18438 2190 1 5 . 1 1 69 69 GLY CA C 69 45.580 45.580 46.470 -0.890 18438 2191 1 5 . 1 1 69 69 GLY H H 69 8.581 8.581 8.902 -0.321 18438 2192 1 5 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.336 -0.034 18438 2193 1 5 . 1 1 70 70 ALA C C 70 177.774 177.774 175.159 2.615 18438 2194 1 5 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.161 0.900 18438 2195 1 5 . 1 1 70 70 ALA CB C 70 18.921 18.921 19.898 -0.977 18438 2196 1 5 . 1 1 71 71 ASN N N 71 115.782 115.782 118.912 -3.130 18438 2197 1 5 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.785 0.095 18438 2198 1 5 . 1 1 71 71 ASN C C 71 174.966 174.966 174.115 0.851 18438 2199 1 5 . 1 1 71 71 ASN CA C 71 52.744 52.744 52.861 -0.117 18438 2200 1 5 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.117 0.100 18438 2201 1 5 . 1 1 71 71 ASN H H 71 8.151 8.151 8.380 -0.229 18438 2202 1 5 . 1 1 72 72 GLY N N 72 107.783 107.783 111.834 -4.051 18438 2203 1 5 . 1 1 72 72 GLY C C 72 172.700 172.700 173.874 -1.174 18438 2204 1 5 . 1 1 72 72 GLY CA C 72 44.902 44.902 45.127 -0.225 18438 2205 1 5 . 1 1 72 72 GLY H H 72 8.051 8.051 8.610 -0.559 18438 2206 1 5 . 1 1 73 73 SER N N 73 114.063 114.063 118.741 -4.678 18438 2207 1 5 . 1 1 73 73 SER HA H 73 4.484 4.484 4.889 -0.405 18438 2208 1 5 . 1 1 73 73 SER C C 73 172.480 172.480 173.223 -0.743 18438 2209 1 5 . 1 1 73 73 SER CA C 73 56.717 56.717 57.926 -1.209 18438 2210 1 5 . 1 1 73 73 SER CB C 73 65.043 65.043 65.501 -0.459 18438 2211 1 5 . 1 1 73 73 SER H H 73 7.761 7.761 7.816 -0.055 18438 2212 1 5 . 1 1 74 74 PHE N N 74 119.449 119.449 119.833 -0.384 18438 2213 1 5 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.735 -0.253 18438 2214 1 5 . 1 1 74 74 PHE C C 74 174.185 174.185 174.758 -0.573 18438 2215 1 5 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.819 0.642 18438 2216 1 5 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.901 -0.890 18438 2217 1 5 . 1 1 74 74 PHE H H 74 8.489 8.489 8.861 -0.372 18438 2218 1 5 . 1 1 75 75 LYS N N 75 119.294 119.294 119.133 0.161 18438 2219 1 5 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.863 0.096 18438 2220 1 5 . 1 1 75 75 LYS C C 75 175.669 175.669 174.604 1.065 18438 2221 1 5 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.502 -1.098 18438 2222 1 5 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.401 0.838 18438 2223 1 5 . 1 1 75 75 LYS H H 75 8.894 8.894 8.758 0.136 18438 2224 1 5 . 1 1 76 76 LEU N N 76 121.201 121.201 121.124 0.077 18438 2225 1 5 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.348 0.024 18438 2226 1 5 . 1 1 76 76 LEU C C 76 177.075 177.075 176.976 0.099 18438 2227 1 5 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.013 0.765 18438 2228 1 5 . 1 1 76 76 LEU CB C 76 41.641 41.641 41.488 0.153 18438 2229 1 5 . 1 1 76 76 LEU H H 76 9.023 9.023 8.825 0.198 18438 2230 1 5 . 1 1 77 77 ASN N N 77 120.222 120.222 123.820 -3.598 18438 2231 1 5 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.693 -0.020 18438 2232 1 5 . 1 1 77 77 ASN C C 77 175.669 175.669 175.725 -0.056 18438 2233 1 5 . 1 1 77 77 ASN CA C 77 51.802 51.802 52.888 -1.086 18438 2234 1 5 . 1 1 77 77 ASN CB C 77 37.863 37.863 37.929 -0.066 18438 2235 1 5 . 1 1 77 77 ASN H H 77 8.333 8.333 8.489 -0.156 18438 2236 1 5 . 1 1 78 78 ARG N N 78 125.225 125.225 123.667 1.558 18438 2237 1 5 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.366 -0.153 18438 2238 1 5 . 1 1 78 78 ARG C C 78 176.607 176.607 176.928 -0.321 18438 2239 1 5 . 1 1 78 78 ARG CA C 78 57.376 57.376 56.788 0.587 18438 2240 1 5 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.160 -0.119 18438 2241 1 5 . 1 1 78 78 ARG H H 78 8.373 8.373 8.077 0.296 18438 2242 1 5 . 1 1 79 79 LYS N N 79 119.831 119.831 117.722 2.109 18438 2243 1 5 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.630 -0.425 18438 2244 1 5 . 1 1 79 79 LYS C C 79 177.075 177.075 176.845 0.230 18438 2245 1 5 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.069 1.074 18438 2246 1 5 . 1 1 79 79 LYS CB C 79 32.341 32.341 32.237 0.104 18438 2247 1 5 . 1 1 79 79 LYS H H 79 8.095 8.095 7.733 0.362 18438 2248 1 5 . 1 1 80 80 LYS N N 80 119.767 119.767 121.669 -1.902 18438 2249 1 5 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.004 0.300 18438 2250 1 5 . 1 1 80 80 LYS C C 80 176.607 176.607 178.154 -1.547 18438 2251 1 5 . 1 1 80 80 LYS CA C 80 56.085 56.085 59.431 -3.346 18438 2252 1 5 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.091 0.926 18438 2253 1 5 . 1 1 80 80 LYS H H 80 7.671 7.671 8.020 -0.349 18438 2254 1 5 . 1 1 81 81 LEU N N 81 121.868 121.868 118.367 3.501 18438 2255 1 5 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.068 0.289 18438 2256 1 5 . 1 1 81 81 LEU C C 81 177.214 177.214 178.127 -0.913 18438 2257 1 5 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.102 -1.732 18438 2258 1 5 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.138 0.349 18438 2259 1 5 . 1 1 81 81 LEU H H 81 7.996 7.996 8.038 -0.042 18438 2260 1 5 . 1 1 82 82 GLU N N 82 120.499 120.499 116.110 4.389 18438 2261 1 5 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.381 -0.039 18438 2262 1 5 . 1 1 82 82 GLU C C 82 175.875 175.875 177.566 -1.691 18438 2263 1 5 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.186 0.145 18438 2264 1 5 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.731 -0.409 18438 2265 1 5 . 1 1 82 82 GLU H H 82 8.262 8.262 8.129 0.133 18438 2266 1 6 . 1 1 3 3 MET HA H 3 4.270 4.270 4.031 0.239 18438 2267 1 6 . 1 1 3 3 MET C C 3 175.362 175.362 174.331 1.031 18438 2268 1 6 . 1 1 3 3 MET CA C 3 55.318 55.318 56.022 -0.704 18438 2269 1 6 . 1 1 3 3 MET CB C 3 32.724 32.724 32.447 0.277 18438 2270 1 6 . 1 1 4 4 GLN N N 4 122.983 122.983 121.483 1.500 18438 2271 1 6 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.628 -0.065 18438 2272 1 6 . 1 1 4 4 GLN C C 4 173.835 173.835 175.270 -1.435 18438 2273 1 6 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.870 -0.349 18438 2274 1 6 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.408 -0.643 18438 2275 1 6 . 1 1 4 4 GLN H H 4 8.267 8.267 8.244 0.023 18438 2276 1 6 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.624 -0.656 18438 2277 1 6 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.394 1.598 18438 2278 1 6 . 1 1 5 5 PRO CB C 5 31.696 31.696 30.652 1.044 18438 2279 1 6 . 1 1 6 6 GLY C C 6 175.512 175.512 174.463 1.049 18438 2280 1 6 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.946 1.090 18438 2281 1 6 . 1 1 7 7 LYS N N 7 121.187 121.187 126.587 -5.400 18438 2282 1 6 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.937 0.215 18438 2283 1 6 . 1 1 7 7 LYS C C 7 179.107 179.107 177.397 1.710 18438 2284 1 6 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.276 -0.321 18438 2285 1 6 . 1 1 7 7 LYS CB C 7 31.641 31.641 31.740 -0.099 18438 2286 1 6 . 1 1 7 7 LYS H H 7 7.788 7.788 8.689 -0.901 18438 2287 1 6 . 1 1 8 8 TYR N N 8 119.428 119.428 119.169 0.259 18438 2288 1 6 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.596 -0.294 18438 2289 1 6 . 1 1 8 8 TYR C C 8 177.544 177.544 177.836 -0.292 18438 2290 1 6 . 1 1 8 8 TYR CA C 8 63.600 63.600 60.864 2.736 18438 2291 1 6 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.851 0.319 18438 2292 1 6 . 1 1 8 8 TYR H H 8 8.197 8.197 8.308 -0.111 18438 2293 1 6 . 1 1 9 9 SER N N 9 116.845 116.845 115.807 1.038 18438 2294 1 6 . 1 1 9 9 SER HA H 9 4.241 4.241 4.176 0.065 18438 2295 1 6 . 1 1 9 9 SER C C 9 175.982 175.982 176.638 -0.656 18438 2296 1 6 . 1 1 9 9 SER CA C 9 62.258 62.258 62.492 -0.234 18438 2297 1 6 . 1 1 9 9 SER CB C 9 62.254 62.254 62.571 -0.317 18438 2298 1 6 . 1 1 9 9 SER H H 9 8.279 8.279 8.544 -0.266 18438 2299 1 6 . 1 1 10 10 GLN N N 10 120.862 120.862 121.533 -0.671 18438 2300 1 6 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.169 -0.083 18438 2301 1 6 . 1 1 10 10 GLN C C 10 177.779 177.779 178.521 -0.742 18438 2302 1 6 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.193 0.549 18438 2303 1 6 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.416 -0.516 18438 2304 1 6 . 1 1 10 10 GLN H H 10 7.765 7.765 7.850 -0.085 18438 2305 1 6 . 1 1 11 11 LEU N N 11 119.752 119.752 121.106 -1.354 18438 2306 1 6 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.217 0.177 18438 2307 1 6 . 1 1 11 11 LEU C C 11 180.357 180.357 178.953 1.404 18438 2308 1 6 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.857 -0.142 18438 2309 1 6 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.967 -0.029 18438 2310 1 6 . 1 1 11 11 LEU H H 11 7.805 7.805 7.963 -0.158 18438 2311 1 6 . 1 1 12 12 VAL N N 12 122.619 122.619 119.021 3.598 18438 2312 1 6 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.539 -0.208 18438 2313 1 6 . 1 1 12 12 VAL C C 12 176.841 176.841 177.952 -1.111 18438 2314 1 6 . 1 1 12 12 VAL CA C 12 68.417 68.417 66.933 1.484 18438 2315 1 6 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.566 -0.247 18438 2316 1 6 . 1 1 12 12 VAL H H 12 8.355 8.355 7.751 0.604 18438 2317 1 6 . 1 1 13 13 VAL N N 13 118.472 118.472 119.526 -1.054 18438 2318 1 6 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.554 -0.160 18438 2319 1 6 . 1 1 13 13 VAL C C 13 177.622 177.622 178.192 -0.570 18438 2320 1 6 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.764 1.003 18438 2321 1 6 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.370 0.534 18438 2322 1 6 . 1 1 13 13 VAL H H 13 7.636 7.636 7.437 0.199 18438 2323 1 6 . 1 1 14 14 GLU N N 14 117.137 117.137 118.582 -1.445 18438 2324 1 6 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.131 -0.057 18438 2325 1 6 . 1 1 14 14 GLU C C 14 179.576 179.576 179.339 0.237 18438 2326 1 6 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.271 -0.442 18438 2327 1 6 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.116 0.284 18438 2328 1 6 . 1 1 14 14 GLU H H 14 8.642 8.642 7.929 0.713 18438 2329 1 6 . 1 1 15 15 THR N N 15 116.678 116.678 117.481 -0.803 18438 2330 1 6 . 1 1 15 15 THR HA H 15 3.859 3.859 4.047 -0.188 18438 2331 1 6 . 1 1 15 15 THR C C 15 175.669 175.669 176.821 -1.152 18438 2332 1 6 . 1 1 15 15 THR CA C 15 67.743 67.743 67.035 0.708 18438 2333 1 6 . 1 1 15 15 THR CB C 15 67.761 67.761 68.591 -0.830 18438 2334 1 6 . 1 1 15 15 THR H H 15 8.354 8.354 8.112 0.242 18438 2335 1 6 . 1 1 16 16 ILE N N 16 121.241 121.241 120.133 1.108 18438 2336 1 6 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.729 -0.225 18438 2337 1 6 . 1 1 16 16 ILE C C 16 179.576 179.576 177.871 1.705 18438 2338 1 6 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.248 1.606 18438 2339 1 6 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.446 0.762 18438 2340 1 6 . 1 1 16 16 ILE H H 16 8.342 8.342 7.896 0.446 18438 2341 1 6 . 1 1 17 17 ARG N N 17 120.540 120.540 120.428 0.112 18438 2342 1 6 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.062 -0.080 18438 2343 1 6 . 1 1 17 17 ARG C C 17 178.482 178.482 178.222 0.260 18438 2344 1 6 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.076 0.451 18438 2345 1 6 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.064 0.238 18438 2346 1 6 . 1 1 17 17 ARG H H 17 8.496 8.496 7.537 0.959 18438 2347 1 6 . 1 1 18 18 ARG N N 18 118.955 118.955 117.996 0.959 18438 2348 1 6 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.124 -0.134 18438 2349 1 6 . 1 1 18 18 ARG C C 18 178.794 178.794 178.927 -0.133 18438 2350 1 6 . 1 1 18 18 ARG CA C 18 59.015 59.015 57.862 1.153 18438 2351 1 6 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.884 0.227 18438 2352 1 6 . 1 1 18 18 ARG H H 18 8.257 8.257 7.954 0.303 18438 2353 1 6 . 1 1 19 19 LEU N N 19 118.486 118.486 117.328 1.158 18438 2354 1 6 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.136 -0.083 18438 2355 1 6 . 1 1 19 19 LEU C C 19 179.419 179.419 177.630 1.789 18438 2356 1 6 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.949 1.153 18438 2357 1 6 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.298 -0.002 18438 2358 1 6 . 1 1 19 19 LEU H H 19 8.179 8.179 7.989 0.190 18438 2359 1 6 . 1 1 20 20 GLY N N 20 104.303 104.303 104.301 0.002 18438 2360 1 6 . 1 1 20 20 GLY C C 20 175.200 175.200 175.180 0.020 18438 2361 1 6 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.077 2.408 18438 2362 1 6 . 1 1 20 20 GLY H H 20 7.520 7.520 7.867 -0.347 18438 2363 1 6 . 1 1 21 21 GLU N N 21 118.725 118.725 119.986 -1.261 18438 2364 1 6 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.324 -0.104 18438 2365 1 6 . 1 1 21 21 GLU C C 21 179.280 179.280 176.476 2.804 18438 2366 1 6 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.758 0.811 18438 2367 1 6 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.442 -0.462 18438 2368 1 6 . 1 1 21 21 GLU H H 21 8.674 8.674 8.064 0.610 18438 2369 1 6 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.468 -0.463 18438 2370 1 6 . 1 1 22 22 ARG C C 22 177.150 177.150 176.105 1.045 18438 2371 1 6 . 1 1 22 22 ARG CA C 22 59.467 59.467 55.812 3.655 18438 2372 1 6 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.156 -0.203 18438 2373 1 6 . 1 1 23 23 ASN N N 23 114.707 114.707 119.985 -5.278 18438 2374 1 6 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.487 0.511 18438 2375 1 6 . 1 1 23 23 ASN C C 23 174.888 174.888 174.731 0.157 18438 2376 1 6 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.435 -1.535 18438 2377 1 6 . 1 1 23 23 ASN CB C 23 38.504 38.504 38.253 0.251 18438 2378 1 6 . 1 1 23 23 ASN H H 23 8.662 8.662 8.961 -0.299 18438 2379 1 6 . 1 1 24 24 GLY N N 24 104.147 104.147 105.373 -1.226 18438 2380 1 6 . 1 1 24 24 GLY C C 24 172.075 172.075 172.820 -0.745 18438 2381 1 6 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.731 -0.031 18438 2382 1 6 . 1 1 24 24 GLY H H 24 7.130 7.130 7.815 -0.685 18438 2383 1 6 . 1 1 25 25 SER N N 25 113.134 113.134 115.007 -1.873 18438 2384 1 6 . 1 1 25 25 SER HA H 25 5.329 5.329 4.774 0.555 18438 2385 1 6 . 1 1 25 25 SER C C 25 173.716 173.716 174.001 -0.285 18438 2386 1 6 . 1 1 25 25 SER CA C 25 57.259 57.259 56.906 0.353 18438 2387 1 6 . 1 1 25 25 SER CB C 25 66.600 66.600 65.633 0.967 18438 2388 1 6 . 1 1 25 25 SER H H 25 8.661 8.661 8.448 0.213 18438 2389 1 6 . 1 1 26 26 SER N N 26 121.159 121.159 120.330 0.829 18438 2390 1 6 . 1 1 26 26 SER HA H 26 4.962 4.962 4.996 -0.034 18438 2391 1 6 . 1 1 26 26 SER C C 26 174.732 174.732 175.815 -1.083 18438 2392 1 6 . 1 1 26 26 SER CA C 26 56.600 56.600 58.409 -1.809 18438 2393 1 6 . 1 1 26 26 SER CB C 26 65.369 65.369 64.141 1.228 18438 2394 1 6 . 1 1 26 26 SER H H 26 8.841 8.841 8.526 0.315 18438 2395 1 6 . 1 1 27 27 LEU N N 27 121.372 121.372 125.207 -3.835 18438 2396 1 6 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.157 -0.052 18438 2397 1 6 . 1 1 27 27 LEU C C 27 177.935 177.935 178.032 -0.097 18438 2398 1 6 . 1 1 27 27 LEU CA C 27 58.827 58.827 57.990 0.837 18438 2399 1 6 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.003 -1.062 18438 2400 1 6 . 1 1 27 27 LEU H H 27 9.303 9.303 9.256 0.047 18438 2401 1 6 . 1 1 28 28 ALA N N 28 119.606 119.606 120.198 -0.592 18438 2402 1 6 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.011 0.151 18438 2403 1 6 . 1 1 28 28 ALA C C 28 180.279 180.279 179.156 1.123 18438 2404 1 6 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.042 0.683 18438 2405 1 6 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.201 0.046 18438 2406 1 6 . 1 1 28 28 ALA H H 28 8.509 8.509 8.296 0.212 18438 2407 1 6 . 1 1 29 29 LYS N N 29 120.138 120.138 119.685 0.453 18438 2408 1 6 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.213 -0.084 18438 2409 1 6 . 1 1 29 29 LYS C C 29 178.950 178.950 178.916 0.034 18438 2410 1 6 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.033 0.552 18438 2411 1 6 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.172 0.311 18438 2412 1 6 . 1 1 29 29 LYS H H 29 7.873 7.873 7.634 0.239 18438 2413 1 6 . 1 1 30 30 ILE N N 30 119.535 119.535 119.571 -0.036 18438 2414 1 6 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.729 -0.224 18438 2415 1 6 . 1 1 30 30 ILE C C 30 177.466 177.466 177.382 0.084 18438 2416 1 6 . 1 1 30 30 ILE CA C 30 65.361 65.361 64.961 0.400 18438 2417 1 6 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.218 0.404 18438 2418 1 6 . 1 1 30 30 ILE H H 30 8.505 8.505 8.108 0.397 18438 2419 1 6 . 1 1 31 31 TYR N N 31 119.439 119.439 120.810 -1.371 18438 2420 1 6 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.061 -0.093 18438 2421 1 6 . 1 1 31 31 TYR C C 31 175.513 175.513 177.180 -1.667 18438 2422 1 6 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.947 -1.046 18438 2423 1 6 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.311 -0.372 18438 2424 1 6 . 1 1 31 31 TYR H H 31 9.231 9.231 8.030 1.201 18438 2425 1 6 . 1 1 32 32 THR N N 32 113.378 113.378 114.806 -1.428 18438 2426 1 6 . 1 1 32 32 THR HA H 32 3.314 3.314 3.982 -0.668 18438 2427 1 6 . 1 1 32 32 THR C C 32 175.435 175.435 175.587 -0.152 18438 2428 1 6 . 1 1 32 32 THR CA C 32 66.900 66.900 65.869 1.031 18438 2429 1 6 . 1 1 32 32 THR CB C 32 68.631 68.631 68.506 0.125 18438 2430 1 6 . 1 1 32 32 THR H H 32 7.936 7.936 7.654 0.282 18438 2431 1 6 . 1 1 33 33 GLU N N 33 117.565 117.565 120.047 -2.482 18438 2432 1 6 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.220 -0.170 18438 2433 1 6 . 1 1 33 33 GLU C C 33 178.716 178.716 177.815 0.901 18438 2434 1 6 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.051 -0.851 18438 2435 1 6 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.156 0.807 18438 2436 1 6 . 1 1 33 33 GLU H H 33 7.359 7.359 7.940 -0.581 18438 2437 1 6 . 1 1 34 34 ALA N N 34 124.323 124.323 122.625 1.698 18438 2438 1 6 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.793 -0.164 18438 2439 1 6 . 1 1 34 34 ALA C C 34 177.232 177.232 178.427 -1.195 18438 2440 1 6 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.500 0.154 18438 2441 1 6 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.350 -0.059 18438 2442 1 6 . 1 1 34 34 ALA H H 34 8.940 8.940 7.299 1.641 18438 2443 1 6 . 1 1 35 35 LYS N N 35 110.920 110.920 114.417 -3.497 18438 2444 1 6 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.135 -0.356 18438 2445 1 6 . 1 1 35 35 LYS C C 35 176.060 176.060 177.538 -1.478 18438 2446 1 6 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.676 -0.972 18438 2447 1 6 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.573 -0.775 18438 2448 1 6 . 1 1 35 35 LYS H H 35 7.277 7.277 7.370 -0.093 18438 2449 1 6 . 1 1 36 36 LYS N N 36 116.850 116.850 117.089 -0.239 18438 2450 1 6 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.075 -0.155 18438 2451 1 6 . 1 1 36 36 LYS C C 36 177.544 177.544 176.871 0.673 18438 2452 1 6 . 1 1 36 36 LYS CA C 36 56.783 56.783 57.023 -0.240 18438 2453 1 6 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.824 0.220 18438 2454 1 6 . 1 1 36 36 LYS H H 36 6.808 6.808 7.275 -0.467 18438 2455 1 6 . 1 1 37 37 VAL N N 37 120.331 120.331 117.222 3.109 18438 2456 1 6 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.022 0.122 18438 2457 1 6 . 1 1 37 37 VAL C C 37 177.134 177.134 176.072 1.062 18438 2458 1 6 . 1 1 37 37 VAL CA C 37 60.228 60.228 60.236 -0.008 18438 2459 1 6 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.817 0.244 18438 2460 1 6 . 1 1 37 37 VAL H H 37 7.413 7.413 7.183 0.230 18438 2461 1 6 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.431 -0.125 18438 2462 1 6 . 1 1 38 38 PRO C C 38 176.763 176.763 176.659 0.104 18438 2463 1 6 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.402 1.018 18438 2464 1 6 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.093 -0.132 18438 2465 1 6 . 1 1 39 39 TRP N N 39 110.211 110.211 116.567 -6.356 18438 2466 1 6 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.753 -0.029 18438 2467 1 6 . 1 1 39 39 TRP C C 39 176.216 176.216 175.656 0.560 18438 2468 1 6 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.489 -0.989 18438 2469 1 6 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.853 0.074 18438 2470 1 6 . 1 1 39 39 TRP H H 39 6.356 6.356 7.470 -1.114 18438 2471 1 6 . 1 1 40 40 PHE N N 40 124.624 124.624 124.167 0.457 18438 2472 1 6 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.152 -0.456 18438 2473 1 6 . 1 1 40 40 PHE C C 40 174.966 174.966 174.531 0.435 18438 2474 1 6 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.484 1.724 18438 2475 1 6 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.505 0.273 18438 2476 1 6 . 1 1 40 40 PHE H H 40 7.282 7.282 7.006 0.276 18438 2477 1 6 . 1 1 41 41 ASP N N 41 127.204 127.204 127.859 -0.655 18438 2478 1 6 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.582 0.060 18438 2479 1 6 . 1 1 41 41 ASP C C 41 175.904 175.904 176.146 -0.242 18438 2480 1 6 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.734 -0.405 18438 2481 1 6 . 1 1 41 41 ASP CB C 41 41.280 41.280 41.790 -0.510 18438 2482 1 6 . 1 1 41 41 ASP H H 41 7.038 7.038 8.181 -1.143 18438 2483 1 6 . 1 1 42 42 GLN N N 42 125.531 125.531 124.581 0.950 18438 2484 1 6 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.396 -0.219 18438 2485 1 6 . 1 1 42 42 GLN C C 42 178.169 178.169 175.819 2.350 18438 2486 1 6 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.136 0.823 18438 2487 1 6 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.003 -0.481 18438 2488 1 6 . 1 1 42 42 GLN H H 42 9.072 9.072 8.806 0.266 18438 2489 1 6 . 1 1 43 43 GLN N N 43 118.221 118.221 117.603 0.618 18438 2490 1 6 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.370 -0.043 18438 2491 1 6 . 1 1 43 43 GLN C C 43 177.154 177.154 176.854 0.300 18438 2492 1 6 . 1 1 43 43 GLN CA C 43 58.141 58.141 56.459 1.682 18438 2493 1 6 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.303 -0.049 18438 2494 1 6 . 1 1 43 43 GLN H H 43 8.356 8.356 7.626 0.730 18438 2495 1 6 . 1 1 44 44 ASN N N 44 115.402 115.402 118.312 -2.910 18438 2496 1 6 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.544 0.187 18438 2497 1 6 . 1 1 44 44 ASN C C 44 175.200 175.200 176.413 -1.213 18438 2498 1 6 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.644 -1.044 18438 2499 1 6 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.697 2.362 18438 2500 1 6 . 1 1 44 44 ASN H H 44 8.163 8.163 8.313 -0.150 18438 2501 1 6 . 1 1 45 45 GLY N N 45 109.680 109.680 109.152 0.528 18438 2502 1 6 . 1 1 45 45 GLY C C 45 175.200 175.200 175.531 -0.331 18438 2503 1 6 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.544 1.656 18438 2504 1 6 . 1 1 45 45 GLY H H 45 8.094 8.094 7.960 0.134 18438 2505 1 6 . 1 1 46 46 ARG N N 46 121.367 121.367 120.572 0.795 18438 2506 1 6 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.347 -0.458 18438 2507 1 6 . 1 1 46 46 ARG C C 46 178.091 178.091 178.181 -0.090 18438 2508 1 6 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.452 1.418 18438 2509 1 6 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.527 -0.244 18438 2510 1 6 . 1 1 46 46 ARG H H 46 8.893 8.893 8.328 0.565 18438 2511 1 6 . 1 1 47 47 THR N N 47 116.630 116.630 116.778 -0.148 18438 2512 1 6 . 1 1 47 47 THR HA H 47 3.668 3.668 4.119 -0.451 18438 2513 1 6 . 1 1 47 47 THR C C 47 176.060 176.060 176.952 -0.892 18438 2514 1 6 . 1 1 47 47 THR CA C 47 66.345 66.345 66.886 -0.541 18438 2515 1 6 . 1 1 47 47 THR CB C 47 67.794 67.794 68.334 -0.540 18438 2516 1 6 . 1 1 47 47 THR H H 47 7.397 7.397 7.589 -0.192 18438 2517 1 6 . 1 1 48 48 TYR N N 48 120.826 120.826 121.016 -0.190 18438 2518 1 6 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.248 0.165 18438 2519 1 6 . 1 1 48 48 TYR C C 48 180.279 180.279 178.331 1.948 18438 2520 1 6 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.676 -1.756 18438 2521 1 6 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.993 -1.893 18438 2522 1 6 . 1 1 48 48 TYR H H 48 7.529 7.529 7.511 0.018 18438 2523 1 6 . 1 1 49 49 LEU N N 49 120.670 120.670 120.333 0.337 18438 2524 1 6 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.200 -0.137 18438 2525 1 6 . 1 1 49 49 LEU C C 49 178.091 178.091 179.285 -1.194 18438 2526 1 6 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.443 0.816 18438 2527 1 6 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.989 0.270 18438 2528 1 6 . 1 1 49 49 LEU H H 49 8.847 8.847 8.464 0.383 18438 2529 1 6 . 1 1 50 50 LYS N N 50 119.596 119.596 119.670 -0.074 18438 2530 1 6 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.887 -0.117 18438 2531 1 6 . 1 1 50 50 LYS C C 50 179.263 179.263 179.471 -0.208 18438 2532 1 6 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.401 1.236 18438 2533 1 6 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.109 -0.111 18438 2534 1 6 . 1 1 50 50 LYS H H 50 8.001 8.001 7.946 0.055 18438 2535 1 6 . 1 1 51 51 TYR N N 51 118.606 118.606 119.068 -0.462 18438 2536 1 6 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.347 -0.048 18438 2537 1 6 . 1 1 51 51 TYR C C 51 179.107 179.107 177.943 1.164 18438 2538 1 6 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.165 -0.927 18438 2539 1 6 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.959 -1.622 18438 2540 1 6 . 1 1 51 51 TYR H H 51 8.274 8.274 8.289 -0.015 18438 2541 1 6 . 1 1 52 52 SER N N 52 117.699 117.699 116.661 1.038 18438 2542 1 6 . 1 1 52 52 SER HA H 52 4.227 4.227 4.225 0.002 18438 2543 1 6 . 1 1 52 52 SER C C 52 175.669 175.669 176.823 -1.154 18438 2544 1 6 . 1 1 52 52 SER CA C 52 63.312 63.312 62.216 1.096 18438 2545 1 6 . 1 1 52 52 SER CB C 52 63.520 63.520 63.319 0.201 18438 2546 1 6 . 1 1 52 52 SER H H 52 8.303 8.303 7.949 0.354 18438 2547 1 6 . 1 1 53 53 ILE N N 53 121.571 121.571 123.197 -1.626 18438 2548 1 6 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.549 -0.268 18438 2549 1 6 . 1 1 53 53 ILE C C 53 176.685 176.685 177.460 -0.775 18438 2550 1 6 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.439 0.600 18438 2551 1 6 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.369 0.153 18438 2552 1 6 . 1 1 53 53 ILE H H 53 8.543 8.543 8.485 0.058 18438 2553 1 6 . 1 1 54 54 LYS N N 54 117.799 117.799 120.161 -2.362 18438 2554 1 6 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.821 0.056 18438 2555 1 6 . 1 1 54 54 LYS C C 54 179.107 179.107 179.005 0.102 18438 2556 1 6 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.334 0.518 18438 2557 1 6 . 1 1 54 54 LYS CB C 54 32.014 32.014 31.999 0.015 18438 2558 1 6 . 1 1 54 54 LYS H H 54 7.572 7.572 7.420 0.152 18438 2559 1 6 . 1 1 55 55 ALA N N 55 121.284 121.284 121.669 -0.385 18438 2560 1 6 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.152 -0.037 18438 2561 1 6 . 1 1 55 55 ALA C C 55 180.201 180.201 180.128 0.073 18438 2562 1 6 . 1 1 55 55 ALA CA C 55 54.997 54.997 55.045 -0.048 18438 2563 1 6 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.270 -0.350 18438 2564 1 6 . 1 1 55 55 ALA H H 55 7.669 7.669 7.928 -0.259 18438 2565 1 6 . 1 1 56 56 LEU N N 56 119.236 119.236 118.320 0.916 18438 2566 1 6 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.061 0.359 18438 2567 1 6 . 1 1 56 56 LEU C C 56 179.966 179.966 179.027 0.939 18438 2568 1 6 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.285 -1.191 18438 2569 1 6 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.663 0.698 18438 2570 1 6 . 1 1 56 56 LEU H H 56 8.302 8.302 8.050 0.252 18438 2571 1 6 . 1 1 57 57 VAL N N 57 122.357 122.357 119.305 3.052 18438 2572 1 6 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.986 0.381 18438 2573 1 6 . 1 1 57 57 VAL C C 57 180.669 180.669 178.557 2.112 18438 2574 1 6 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.018 -0.912 18438 2575 1 6 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.714 0.292 18438 2576 1 6 . 1 1 57 57 VAL H H 57 8.555 8.555 8.151 0.404 18438 2577 1 6 . 1 1 58 58 GLN N N 58 120.472 120.472 118.891 1.581 18438 2578 1 6 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.153 -0.028 18438 2579 1 6 . 1 1 58 58 GLN C C 58 177.154 177.154 177.528 -0.374 18438 2580 1 6 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.224 0.596 18438 2581 1 6 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.880 -0.680 18438 2582 1 6 . 1 1 58 58 GLN H H 58 8.078 8.078 7.800 0.278 18438 2583 1 6 . 1 1 59 59 ASN N N 59 114.176 114.176 116.065 -1.889 18438 2584 1 6 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.884 -0.005 18438 2585 1 6 . 1 1 59 59 ASN C C 59 175.122 175.122 174.052 1.070 18438 2586 1 6 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.740 -2.160 18438 2587 1 6 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.102 -1.406 18438 2588 1 6 . 1 1 59 59 ASN H H 59 7.704 7.704 7.903 -0.199 18438 2589 1 6 . 1 1 60 60 ASP N N 60 113.376 113.376 115.644 -2.268 18438 2590 1 6 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.487 -0.024 18438 2591 1 6 . 1 1 60 60 ASP C C 60 175.279 175.279 176.126 -0.847 18438 2592 1 6 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.699 0.373 18438 2593 1 6 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.013 0.896 18438 2594 1 6 . 1 1 60 60 ASP H H 60 7.900 7.900 7.657 0.243 18438 2595 1 6 . 1 1 61 61 THR N N 61 117.382 117.382 113.087 4.295 18438 2596 1 6 . 1 1 61 61 THR HA H 61 4.097 4.097 4.116 -0.019 18438 2597 1 6 . 1 1 61 61 THR C C 61 174.966 174.966 174.565 0.401 18438 2598 1 6 . 1 1 61 61 THR CA C 61 67.141 67.141 65.826 1.315 18438 2599 1 6 . 1 1 61 61 THR CB C 61 68.143 68.143 69.546 -1.403 18438 2600 1 6 . 1 1 61 61 THR H H 61 8.776 8.776 8.218 0.558 18438 2601 1 6 . 1 1 62 62 LEU N N 62 118.406 118.406 119.214 -0.808 18438 2602 1 6 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.153 0.010 18438 2603 1 6 . 1 1 62 62 LEU C C 62 175.122 175.122 175.093 0.029 18438 2604 1 6 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.144 -1.303 18438 2605 1 6 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.938 -0.473 18438 2606 1 6 . 1 1 62 62 LEU H H 62 7.653 7.653 7.668 -0.015 18438 2607 1 6 . 1 1 63 63 LEU N N 63 119.075 119.075 120.020 -0.945 18438 2608 1 6 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.755 -0.105 18438 2609 1 6 . 1 1 63 63 LEU C C 63 175.904 175.904 175.770 0.134 18438 2610 1 6 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.666 -0.642 18438 2611 1 6 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.293 -0.252 18438 2612 1 6 . 1 1 63 63 LEU H H 63 9.145 9.145 8.505 0.640 18438 2613 1 6 . 1 1 64 64 GLN N N 64 123.978 123.978 125.206 -1.228 18438 2614 1 6 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.461 0.115 18438 2615 1 6 . 1 1 64 64 GLN C C 64 175.435 175.435 175.649 -0.214 18438 2616 1 6 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.632 -0.606 18438 2617 1 6 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.961 0.295 18438 2618 1 6 . 1 1 64 64 GLN H H 64 8.995 8.995 8.900 0.095 18438 2619 1 6 . 1 1 65 65 VAL N N 65 126.750 126.750 130.112 -3.362 18438 2620 1 6 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.032 -0.007 18438 2621 1 6 . 1 1 65 65 VAL C C 65 175.747 175.747 175.009 0.738 18438 2622 1 6 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.416 -0.496 18438 2623 1 6 . 1 1 65 65 VAL CB C 65 32.502 32.502 30.169 2.333 18438 2624 1 6 . 1 1 65 65 VAL H H 65 8.520 8.520 8.834 -0.314 18438 2625 1 6 . 1 1 66 66 LYS N N 66 124.150 124.150 123.125 1.025 18438 2626 1 6 . 1 1 66 66 LYS HA H 66 4.212 4.212 3.997 0.215 18438 2627 1 6 . 1 1 66 66 LYS C C 66 176.607 176.607 176.168 0.439 18438 2628 1 6 . 1 1 66 66 LYS CA C 66 56.776 56.776 57.298 -0.522 18438 2629 1 6 . 1 1 66 66 LYS CB C 66 33.019 33.019 31.771 1.248 18438 2630 1 6 . 1 1 66 66 LYS H H 66 8.311 8.311 7.910 0.401 18438 2631 1 6 . 1 1 67 67 GLY N N 67 109.952 109.952 105.644 4.308 18438 2632 1 6 . 1 1 67 67 GLY C C 67 173.716 173.716 174.282 -0.566 18438 2633 1 6 . 1 1 67 67 GLY CA C 67 44.902 44.902 44.967 -0.065 18438 2634 1 6 . 1 1 67 67 GLY H H 67 8.401 8.401 8.605 -0.204 18438 2635 1 6 . 1 1 68 68 THR N N 68 111.619 111.619 115.988 -4.369 18438 2636 1 6 . 1 1 68 68 THR HA H 68 4.399 4.399 4.131 0.268 18438 2637 1 6 . 1 1 68 68 THR C C 68 175.279 175.279 176.049 -0.770 18438 2638 1 6 . 1 1 68 68 THR CA C 68 61.243 61.243 64.536 -3.293 18438 2639 1 6 . 1 1 68 68 THR CB C 68 69.860 69.860 68.637 1.223 18438 2640 1 6 . 1 1 68 68 THR H H 68 8.032 8.032 7.561 0.471 18438 2641 1 6 . 1 1 69 69 GLY N N 69 111.951 111.951 109.183 2.768 18438 2642 1 6 . 1 1 69 69 GLY C C 69 174.572 174.572 173.483 1.089 18438 2643 1 6 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.096 1.484 18438 2644 1 6 . 1 1 69 69 GLY H H 69 8.581 8.581 7.962 0.619 18438 2645 1 6 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.708 0.594 18438 2646 1 6 . 1 1 70 70 ALA C C 70 177.774 177.774 177.735 0.039 18438 2647 1 6 . 1 1 70 70 ALA CA C 70 53.061 53.061 54.858 -1.797 18438 2648 1 6 . 1 1 70 70 ALA CB C 70 18.921 18.921 16.963 1.958 18438 2649 1 6 . 1 1 71 71 ASN N N 71 115.782 115.782 120.542 -4.760 18438 2650 1 6 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.651 0.229 18438 2651 1 6 . 1 1 71 71 ASN C C 71 174.966 174.966 175.713 -0.747 18438 2652 1 6 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.881 -1.137 18438 2653 1 6 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.838 -0.621 18438 2654 1 6 . 1 1 71 71 ASN H H 71 8.151 8.151 8.370 -0.219 18438 2655 1 6 . 1 1 72 72 GLY N N 72 107.783 107.783 105.202 2.581 18438 2656 1 6 . 1 1 72 72 GLY C C 72 172.700 172.700 171.609 1.091 18438 2657 1 6 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.665 0.237 18438 2658 1 6 . 1 1 72 72 GLY H H 72 8.051 8.051 7.461 0.590 18438 2659 1 6 . 1 1 73 73 SER N N 73 114.063 114.063 115.829 -1.766 18438 2660 1 6 . 1 1 73 73 SER HA H 73 4.484 4.484 4.860 -0.376 18438 2661 1 6 . 1 1 73 73 SER C C 73 172.480 172.480 172.788 -0.308 18438 2662 1 6 . 1 1 73 73 SER CA C 73 56.717 56.717 56.872 -0.155 18438 2663 1 6 . 1 1 73 73 SER CB C 73 65.043 65.043 64.237 0.806 18438 2664 1 6 . 1 1 73 73 SER H H 73 7.761 7.761 7.656 0.105 18438 2665 1 6 . 1 1 74 74 PHE N N 74 119.449 119.449 124.569 -5.120 18438 2666 1 6 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.805 -0.323 18438 2667 1 6 . 1 1 74 74 PHE C C 74 174.185 174.185 175.892 -1.707 18438 2668 1 6 . 1 1 74 74 PHE CA C 74 57.461 57.461 55.945 1.516 18438 2669 1 6 . 1 1 74 74 PHE CB C 74 43.011 43.011 42.408 0.603 18438 2670 1 6 . 1 1 74 74 PHE H H 74 8.489 8.489 8.823 -0.334 18438 2671 1 6 . 1 1 75 75 LYS N N 75 119.294 119.294 119.780 -0.486 18438 2672 1 6 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.795 0.164 18438 2673 1 6 . 1 1 75 75 LYS C C 75 175.669 175.669 174.342 1.327 18438 2674 1 6 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.541 -1.137 18438 2675 1 6 . 1 1 75 75 LYS CB C 75 37.239 37.239 35.997 1.242 18438 2676 1 6 . 1 1 75 75 LYS H H 75 8.894 8.894 8.296 0.598 18438 2677 1 6 . 1 1 76 76 LEU N N 76 121.201 121.201 121.398 -0.197 18438 2678 1 6 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.338 0.034 18438 2679 1 6 . 1 1 76 76 LEU C C 76 177.075 177.075 177.166 -0.091 18438 2680 1 6 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.153 0.625 18438 2681 1 6 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.322 -0.681 18438 2682 1 6 . 1 1 76 76 LEU H H 76 9.023 9.023 8.614 0.409 18438 2683 1 6 . 1 1 77 77 ASN N N 77 120.222 120.222 123.147 -2.925 18438 2684 1 6 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.717 -0.044 18438 2685 1 6 . 1 1 77 77 ASN C C 77 175.669 175.669 176.320 -0.651 18438 2686 1 6 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.008 -1.206 18438 2687 1 6 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.027 -0.164 18438 2688 1 6 . 1 1 77 77 ASN H H 77 8.333 8.333 8.349 -0.016 18438 2689 1 6 . 1 1 78 78 ARG N N 78 125.225 125.225 126.223 -0.998 18438 2690 1 6 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.160 0.053 18438 2691 1 6 . 1 1 78 78 ARG C C 78 176.607 176.607 177.081 -0.474 18438 2692 1 6 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.116 -0.740 18438 2693 1 6 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.514 -0.473 18438 2694 1 6 . 1 1 78 78 ARG H H 78 8.373 8.373 8.063 0.310 18438 2695 1 6 . 1 1 79 79 LYS N N 79 119.831 119.831 117.989 1.842 18438 2696 1 6 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.496 -0.291 18438 2697 1 6 . 1 1 79 79 LYS C C 79 177.075 177.075 176.441 0.634 18438 2698 1 6 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.648 1.495 18438 2699 1 6 . 1 1 79 79 LYS CB C 79 32.341 32.341 30.994 1.347 18438 2700 1 6 . 1 1 79 79 LYS H H 79 8.095 8.095 7.975 0.120 18438 2701 1 6 . 1 1 80 80 LYS N N 80 119.767 119.767 121.346 -1.579 18438 2702 1 6 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.061 0.243 18438 2703 1 6 . 1 1 80 80 LYS C C 80 176.607 176.607 177.280 -0.673 18438 2704 1 6 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.013 -1.927 18438 2705 1 6 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.711 1.306 18438 2706 1 6 . 1 1 80 80 LYS H H 80 7.671 7.671 7.843 -0.172 18438 2707 1 6 . 1 1 81 81 LEU N N 81 121.868 121.868 118.520 3.348 18438 2708 1 6 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.117 0.240 18438 2709 1 6 . 1 1 81 81 LEU C C 81 177.214 177.214 178.785 -1.571 18438 2710 1 6 . 1 1 81 81 LEU CA C 81 55.371 55.371 56.867 -1.496 18438 2711 1 6 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.975 0.512 18438 2712 1 6 . 1 1 81 81 LEU H H 81 7.996 7.996 7.980 0.016 18438 2713 1 6 . 1 1 82 82 GLU N N 82 120.499 120.499 116.463 4.036 18438 2714 1 6 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.343 -0.001 18438 2715 1 6 . 1 1 82 82 GLU C C 82 175.875 175.875 177.043 -1.168 18438 2716 1 6 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.511 -0.180 18438 2717 1 6 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.641 -0.319 18438 2718 1 6 . 1 1 82 82 GLU H H 82 8.262 8.262 7.911 0.351 18438 2719 1 7 . 1 1 3 3 MET HA H 3 4.270 4.270 4.641 -0.371 18438 2720 1 7 . 1 1 3 3 MET C C 3 175.362 175.362 174.934 0.428 18438 2721 1 7 . 1 1 3 3 MET CA C 3 55.318 55.318 55.755 -0.437 18438 2722 1 7 . 1 1 3 3 MET CB C 3 32.724 32.724 33.720 -0.996 18438 2723 1 7 . 1 1 4 4 GLN N N 4 122.983 122.983 119.780 3.203 18438 2724 1 7 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.831 -0.268 18438 2725 1 7 . 1 1 4 4 GLN C C 4 173.835 173.835 173.297 0.538 18438 2726 1 7 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.295 -0.774 18438 2727 1 7 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.380 0.385 18438 2728 1 7 . 1 1 4 4 GLN H H 4 8.267 8.267 7.958 0.309 18438 2729 1 7 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.594 -0.626 18438 2730 1 7 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.878 1.114 18438 2731 1 7 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.120 -0.424 18438 2732 1 7 . 1 1 6 6 GLY C C 6 175.512 175.512 174.017 1.495 18438 2733 1 7 . 1 1 6 6 GLY CA C 6 46.036 46.036 45.724 0.312 18438 2734 1 7 . 1 1 7 7 LYS N N 7 121.187 121.187 121.909 -0.722 18438 2735 1 7 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.205 -0.053 18438 2736 1 7 . 1 1 7 7 LYS C C 7 179.107 179.107 177.187 1.920 18438 2737 1 7 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.001 -0.046 18438 2738 1 7 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.323 -0.682 18438 2739 1 7 . 1 1 7 7 LYS H H 7 7.788 7.788 8.277 -0.489 18438 2740 1 7 . 1 1 8 8 TYR N N 8 119.428 119.428 117.656 1.772 18438 2741 1 7 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.620 -0.318 18438 2742 1 7 . 1 1 8 8 TYR C C 8 177.544 177.544 177.983 -0.439 18438 2743 1 7 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.098 2.502 18438 2744 1 7 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.025 0.145 18438 2745 1 7 . 1 1 8 8 TYR H H 8 8.197 8.197 8.477 -0.280 18438 2746 1 7 . 1 1 9 9 SER N N 9 116.845 116.845 115.290 1.555 18438 2747 1 7 . 1 1 9 9 SER HA H 9 4.241 4.241 4.209 0.032 18438 2748 1 7 . 1 1 9 9 SER C C 9 175.982 175.982 176.633 -0.651 18438 2749 1 7 . 1 1 9 9 SER CA C 9 62.258 62.258 62.189 0.069 18438 2750 1 7 . 1 1 9 9 SER CB C 9 62.254 62.254 62.806 -0.552 18438 2751 1 7 . 1 1 9 9 SER H H 9 8.279 8.279 8.121 0.158 18438 2752 1 7 . 1 1 10 10 GLN N N 10 120.862 120.862 122.157 -1.295 18438 2753 1 7 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.090 -0.004 18438 2754 1 7 . 1 1 10 10 GLN C C 10 177.779 177.779 178.486 -0.707 18438 2755 1 7 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.737 0.005 18438 2756 1 7 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.524 -0.624 18438 2757 1 7 . 1 1 10 10 GLN H H 10 7.765 7.765 7.554 0.211 18438 2758 1 7 . 1 1 11 11 LEU N N 11 119.752 119.752 121.058 -1.306 18438 2759 1 7 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.162 0.232 18438 2760 1 7 . 1 1 11 11 LEU C C 11 180.357 180.357 178.540 1.817 18438 2761 1 7 . 1 1 11 11 LEU CA C 11 57.715 57.715 58.100 -0.385 18438 2762 1 7 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.959 -0.021 18438 2763 1 7 . 1 1 11 11 LEU H H 11 7.805 7.805 8.264 -0.459 18438 2764 1 7 . 1 1 12 12 VAL N N 12 122.619 122.619 118.879 3.740 18438 2765 1 7 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.565 -0.234 18438 2766 1 7 . 1 1 12 12 VAL C C 12 176.841 176.841 178.021 -1.180 18438 2767 1 7 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.094 1.323 18438 2768 1 7 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.659 -0.340 18438 2769 1 7 . 1 1 12 12 VAL H H 12 8.355 8.355 7.640 0.715 18438 2770 1 7 . 1 1 13 13 VAL N N 13 118.472 118.472 119.649 -1.177 18438 2771 1 7 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.608 -0.214 18438 2772 1 7 . 1 1 13 13 VAL C C 13 177.622 177.622 178.426 -0.804 18438 2773 1 7 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.112 0.655 18438 2774 1 7 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.307 0.597 18438 2775 1 7 . 1 1 13 13 VAL H H 13 7.636 7.636 7.797 -0.161 18438 2776 1 7 . 1 1 14 14 GLU N N 14 117.137 117.137 118.933 -1.796 18438 2777 1 7 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.133 -0.059 18438 2778 1 7 . 1 1 14 14 GLU C C 14 179.576 179.576 179.280 0.296 18438 2779 1 7 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.570 -0.741 18438 2780 1 7 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.212 0.188 18438 2781 1 7 . 1 1 14 14 GLU H H 14 8.642 8.642 8.272 0.370 18438 2782 1 7 . 1 1 15 15 THR N N 15 116.678 116.678 117.589 -0.911 18438 2783 1 7 . 1 1 15 15 THR HA H 15 3.859 3.859 4.065 -0.206 18438 2784 1 7 . 1 1 15 15 THR C C 15 175.669 175.669 176.623 -0.954 18438 2785 1 7 . 1 1 15 15 THR CA C 15 67.743 67.743 67.481 0.262 18438 2786 1 7 . 1 1 15 15 THR CB C 15 67.761 67.761 68.574 -0.813 18438 2787 1 7 . 1 1 15 15 THR H H 15 8.354 8.354 8.021 0.333 18438 2788 1 7 . 1 1 16 16 ILE N N 16 121.241 121.241 121.150 0.091 18438 2789 1 7 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.698 -0.194 18438 2790 1 7 . 1 1 16 16 ILE C C 16 179.576 179.576 177.637 1.939 18438 2791 1 7 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.443 1.411 18438 2792 1 7 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.573 0.635 18438 2793 1 7 . 1 1 16 16 ILE H H 16 8.342 8.342 8.191 0.151 18438 2794 1 7 . 1 1 17 17 ARG N N 17 120.540 120.540 120.392 0.148 18438 2795 1 7 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.007 -0.025 18438 2796 1 7 . 1 1 17 17 ARG C C 17 178.482 178.482 178.348 0.134 18438 2797 1 7 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.297 0.230 18438 2798 1 7 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.069 0.233 18438 2799 1 7 . 1 1 17 17 ARG H H 17 8.496 8.496 7.630 0.866 18438 2800 1 7 . 1 1 18 18 ARG N N 18 118.955 118.955 117.081 1.874 18438 2801 1 7 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.162 -0.172 18438 2802 1 7 . 1 1 18 18 ARG C C 18 178.794 178.794 178.812 -0.018 18438 2803 1 7 . 1 1 18 18 ARG CA C 18 59.015 59.015 57.673 1.342 18438 2804 1 7 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.072 0.039 18438 2805 1 7 . 1 1 18 18 ARG H H 18 8.257 8.257 7.937 0.320 18438 2806 1 7 . 1 1 19 19 LEU N N 19 118.486 118.486 118.216 0.270 18438 2807 1 7 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.177 -0.124 18438 2808 1 7 . 1 1 19 19 LEU C C 19 179.419 179.419 178.305 1.114 18438 2809 1 7 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.992 1.110 18438 2810 1 7 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.404 -0.108 18438 2811 1 7 . 1 1 19 19 LEU H H 19 8.179 8.179 7.915 0.264 18438 2812 1 7 . 1 1 20 20 GLY N N 20 104.303 104.303 105.635 -1.332 18438 2813 1 7 . 1 1 20 20 GLY C C 20 175.200 175.200 174.998 0.202 18438 2814 1 7 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.379 2.106 18438 2815 1 7 . 1 1 20 20 GLY H H 20 7.520 7.520 7.920 -0.400 18438 2816 1 7 . 1 1 21 21 GLU N N 21 118.725 118.725 119.477 -0.752 18438 2817 1 7 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.170 0.050 18438 2818 1 7 . 1 1 21 21 GLU C C 21 179.280 179.280 177.201 2.079 18438 2819 1 7 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.479 1.090 18438 2820 1 7 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.406 -0.426 18438 2821 1 7 . 1 1 21 21 GLU H H 21 8.674 8.674 8.325 0.349 18438 2822 1 7 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.020 -0.015 18438 2823 1 7 . 1 1 22 22 ARG C C 22 177.150 177.150 176.188 0.962 18438 2824 1 7 . 1 1 22 22 ARG CA C 22 59.467 59.467 57.666 1.800 18438 2825 1 7 . 1 1 22 22 ARG CB C 22 29.953 29.953 29.456 0.497 18438 2826 1 7 . 1 1 23 23 ASN N N 23 114.707 114.707 117.858 -3.151 18438 2827 1 7 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.350 0.648 18438 2828 1 7 . 1 1 23 23 ASN C C 23 174.888 174.888 174.416 0.472 18438 2829 1 7 . 1 1 23 23 ASN CA C 23 51.900 51.900 54.197 -2.297 18438 2830 1 7 . 1 1 23 23 ASN CB C 23 38.504 38.504 37.802 0.702 18438 2831 1 7 . 1 1 23 23 ASN H H 23 8.662 8.662 8.985 -0.323 18438 2832 1 7 . 1 1 24 24 GLY N N 24 104.147 104.147 103.695 0.452 18438 2833 1 7 . 1 1 24 24 GLY C C 24 172.075 172.075 172.711 -0.636 18438 2834 1 7 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.767 -0.067 18438 2835 1 7 . 1 1 24 24 GLY H H 24 7.130 7.130 7.659 -0.529 18438 2836 1 7 . 1 1 25 25 SER N N 25 113.134 113.134 116.099 -2.965 18438 2837 1 7 . 1 1 25 25 SER HA H 25 5.329 5.329 4.815 0.514 18438 2838 1 7 . 1 1 25 25 SER C C 25 173.716 173.716 175.178 -1.462 18438 2839 1 7 . 1 1 25 25 SER CA C 25 57.259 57.259 56.533 0.726 18438 2840 1 7 . 1 1 25 25 SER CB C 25 66.600 66.600 64.865 1.735 18438 2841 1 7 . 1 1 25 25 SER H H 25 8.661 8.661 8.394 0.267 18438 2842 1 7 . 1 1 26 26 SER N N 26 121.159 121.159 121.707 -0.548 18438 2843 1 7 . 1 1 26 26 SER HA H 26 4.962 4.962 4.511 0.451 18438 2844 1 7 . 1 1 26 26 SER C C 26 174.732 174.732 175.975 -1.243 18438 2845 1 7 . 1 1 26 26 SER CA C 26 56.600 56.600 58.131 -1.531 18438 2846 1 7 . 1 1 26 26 SER CB C 26 65.369 65.369 63.922 1.447 18438 2847 1 7 . 1 1 26 26 SER H H 26 8.841 8.841 8.794 0.047 18438 2848 1 7 . 1 1 27 27 LEU N N 27 121.372 121.372 127.768 -6.396 18438 2849 1 7 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.268 -0.163 18438 2850 1 7 . 1 1 27 27 LEU C C 27 177.935 177.935 177.618 0.317 18438 2851 1 7 . 1 1 27 27 LEU CA C 27 58.827 58.827 57.888 0.939 18438 2852 1 7 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.017 -1.076 18438 2853 1 7 . 1 1 27 27 LEU H H 27 9.303 9.303 8.279 1.024 18438 2854 1 7 . 1 1 28 28 ALA N N 28 119.606 119.606 120.660 -1.054 18438 2855 1 7 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.079 0.083 18438 2856 1 7 . 1 1 28 28 ALA C C 28 180.279 180.279 179.666 0.613 18438 2857 1 7 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.117 0.608 18438 2858 1 7 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.106 0.141 18438 2859 1 7 . 1 1 28 28 ALA H H 28 8.509 8.509 7.817 0.692 18438 2860 1 7 . 1 1 29 29 LYS N N 29 120.138 120.138 119.854 0.284 18438 2861 1 7 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.153 -0.024 18438 2862 1 7 . 1 1 29 29 LYS C C 29 178.950 178.950 178.952 -0.002 18438 2863 1 7 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.203 0.382 18438 2864 1 7 . 1 1 29 29 LYS CB C 29 32.483 32.483 31.939 0.544 18438 2865 1 7 . 1 1 29 29 LYS H H 29 7.873 7.873 7.684 0.189 18438 2866 1 7 . 1 1 30 30 ILE N N 30 119.535 119.535 120.027 -0.492 18438 2867 1 7 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.670 -0.165 18438 2868 1 7 . 1 1 30 30 ILE C C 30 177.466 177.466 177.598 -0.132 18438 2869 1 7 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.550 -0.189 18438 2870 1 7 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.119 0.503 18438 2871 1 7 . 1 1 30 30 ILE H H 30 8.505 8.505 8.137 0.368 18438 2872 1 7 . 1 1 31 31 TYR N N 31 119.439 119.439 120.703 -1.264 18438 2873 1 7 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.039 -0.071 18438 2874 1 7 . 1 1 31 31 TYR C C 31 175.513 175.513 177.631 -2.118 18438 2875 1 7 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.863 -0.963 18438 2876 1 7 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.154 -0.215 18438 2877 1 7 . 1 1 31 31 TYR H H 31 9.231 9.231 8.166 1.065 18438 2878 1 7 . 1 1 32 32 THR N N 32 113.378 113.378 113.516 -0.138 18438 2879 1 7 . 1 1 32 32 THR HA H 32 3.314 3.314 3.740 -0.426 18438 2880 1 7 . 1 1 32 32 THR C C 32 175.435 175.435 176.375 -0.940 18438 2881 1 7 . 1 1 32 32 THR CA C 32 66.900 66.900 66.731 0.169 18438 2882 1 7 . 1 1 32 32 THR CB C 32 68.631 68.631 68.593 0.038 18438 2883 1 7 . 1 1 32 32 THR H H 32 7.936 7.936 7.960 -0.024 18438 2884 1 7 . 1 1 33 33 GLU N N 33 117.565 117.565 118.332 -0.767 18438 2885 1 7 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.300 -0.250 18438 2886 1 7 . 1 1 33 33 GLU C C 33 178.716 178.716 176.762 1.954 18438 2887 1 7 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.050 0.150 18438 2888 1 7 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.329 0.634 18438 2889 1 7 . 1 1 33 33 GLU H H 33 7.359 7.359 7.670 -0.311 18438 2890 1 7 . 1 1 34 34 ALA N N 34 124.323 124.323 120.943 3.380 18438 2891 1 7 . 1 1 34 34 ALA HA H 34 3.629 3.629 4.264 -0.635 18438 2892 1 7 . 1 1 34 34 ALA C C 34 177.232 177.232 178.042 -0.810 18438 2893 1 7 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.614 1.040 18438 2894 1 7 . 1 1 34 34 ALA CB C 34 18.291 18.291 19.931 -1.640 18438 2895 1 7 . 1 1 34 34 ALA H H 34 8.940 8.940 7.578 1.362 18438 2896 1 7 . 1 1 35 35 LYS N N 35 110.920 110.920 116.219 -5.299 18438 2897 1 7 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.318 0.461 18438 2898 1 7 . 1 1 35 35 LYS C C 35 176.060 176.060 176.646 -0.586 18438 2899 1 7 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.965 -0.262 18438 2900 1 7 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.243 -0.445 18438 2901 1 7 . 1 1 35 35 LYS H H 35 7.277 7.277 7.379 -0.102 18438 2902 1 7 . 1 1 36 36 LYS N N 36 116.850 116.850 118.051 -1.201 18438 2903 1 7 . 1 1 36 36 LYS HA H 36 3.920 3.920 3.961 -0.041 18438 2904 1 7 . 1 1 36 36 LYS C C 36 177.544 177.544 177.407 0.137 18438 2905 1 7 . 1 1 36 36 LYS CA C 36 56.783 56.783 57.505 -0.722 18438 2906 1 7 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.238 0.806 18438 2907 1 7 . 1 1 36 36 LYS H H 36 6.808 6.808 7.573 -0.765 18438 2908 1 7 . 1 1 37 37 VAL N N 37 120.331 120.331 116.414 3.917 18438 2909 1 7 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.009 0.135 18438 2910 1 7 . 1 1 37 37 VAL C C 37 177.134 177.134 176.107 1.027 18438 2911 1 7 . 1 1 37 37 VAL CA C 37 60.228 60.228 60.166 0.062 18438 2912 1 7 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.425 0.636 18438 2913 1 7 . 1 1 37 37 VAL H H 37 7.413 7.413 7.258 0.155 18438 2914 1 7 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.456 -0.150 18438 2915 1 7 . 1 1 38 38 PRO C C 38 176.763 176.763 176.773 -0.010 18438 2916 1 7 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.438 0.982 18438 2917 1 7 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.068 -0.107 18438 2918 1 7 . 1 1 39 39 TRP N N 39 110.211 110.211 116.748 -6.537 18438 2919 1 7 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.704 0.020 18438 2920 1 7 . 1 1 39 39 TRP C C 39 176.216 176.216 175.820 0.396 18438 2921 1 7 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.689 -1.189 18438 2922 1 7 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.662 0.265 18438 2923 1 7 . 1 1 39 39 TRP H H 39 6.356 6.356 7.534 -1.178 18438 2924 1 7 . 1 1 40 40 PHE N N 40 124.624 124.624 123.958 0.666 18438 2925 1 7 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.254 -0.558 18438 2926 1 7 . 1 1 40 40 PHE C C 40 174.966 174.966 174.782 0.184 18438 2927 1 7 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.758 1.450 18438 2928 1 7 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.317 0.461 18438 2929 1 7 . 1 1 40 40 PHE H H 40 7.282 7.282 6.892 0.390 18438 2930 1 7 . 1 1 41 41 ASP N N 41 127.204 127.204 128.291 -1.087 18438 2931 1 7 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.716 -0.074 18438 2932 1 7 . 1 1 41 41 ASP C C 41 175.904 175.904 176.507 -0.603 18438 2933 1 7 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.202 0.127 18438 2934 1 7 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.250 -0.970 18438 2935 1 7 . 1 1 41 41 ASP H H 41 7.038 7.038 8.233 -1.195 18438 2936 1 7 . 1 1 42 42 GLN N N 42 125.531 125.531 124.306 1.225 18438 2937 1 7 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.472 -0.295 18438 2938 1 7 . 1 1 42 42 GLN C C 42 178.169 178.169 176.838 1.331 18438 2939 1 7 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.333 0.626 18438 2940 1 7 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.640 -1.118 18438 2941 1 7 . 1 1 42 42 GLN H H 42 9.072 9.072 8.833 0.239 18438 2942 1 7 . 1 1 43 43 GLN N N 43 118.221 118.221 117.690 0.531 18438 2943 1 7 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.383 -0.056 18438 2944 1 7 . 1 1 43 43 GLN C C 43 177.154 177.154 177.102 0.052 18438 2945 1 7 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.075 1.066 18438 2946 1 7 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.296 -0.042 18438 2947 1 7 . 1 1 43 43 GLN H H 43 8.356 8.356 7.826 0.530 18438 2948 1 7 . 1 1 44 44 ASN N N 44 115.402 115.402 115.358 0.044 18438 2949 1 7 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.646 0.085 18438 2950 1 7 . 1 1 44 44 ASN C C 44 175.200 175.200 175.645 -0.445 18438 2951 1 7 . 1 1 44 44 ASN CA C 44 52.600 52.600 52.738 -0.138 18438 2952 1 7 . 1 1 44 44 ASN CB C 44 41.059 41.059 40.225 0.834 18438 2953 1 7 . 1 1 44 44 ASN H H 44 8.163 8.163 8.041 0.122 18438 2954 1 7 . 1 1 45 45 GLY N N 45 109.680 109.680 110.103 -0.423 18438 2955 1 7 . 1 1 45 45 GLY C C 45 175.200 175.200 175.354 -0.154 18438 2956 1 7 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.221 1.979 18438 2957 1 7 . 1 1 45 45 GLY H H 45 8.094 8.094 7.936 0.158 18438 2958 1 7 . 1 1 46 46 ARG N N 46 121.367 121.367 120.646 0.721 18438 2959 1 7 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.363 -0.474 18438 2960 1 7 . 1 1 46 46 ARG C C 46 178.091 178.091 177.932 0.159 18438 2961 1 7 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.590 1.280 18438 2962 1 7 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.618 -0.335 18438 2963 1 7 . 1 1 46 46 ARG H H 46 8.893 8.893 8.318 0.575 18438 2964 1 7 . 1 1 47 47 THR N N 47 116.630 116.630 115.856 0.774 18438 2965 1 7 . 1 1 47 47 THR HA H 47 3.668 3.668 4.144 -0.475 18438 2966 1 7 . 1 1 47 47 THR C C 47 176.060 176.060 176.918 -0.858 18438 2967 1 7 . 1 1 47 47 THR CA C 47 66.345 66.345 66.995 -0.650 18438 2968 1 7 . 1 1 47 47 THR CB C 47 67.794 67.794 68.238 -0.444 18438 2969 1 7 . 1 1 47 47 THR H H 47 7.397 7.397 7.490 -0.093 18438 2970 1 7 . 1 1 48 48 TYR N N 48 120.826 120.826 120.978 -0.152 18438 2971 1 7 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.293 0.120 18438 2972 1 7 . 1 1 48 48 TYR C C 48 180.279 180.279 177.926 2.353 18438 2973 1 7 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.130 -1.210 18438 2974 1 7 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.868 -1.768 18438 2975 1 7 . 1 1 48 48 TYR H H 48 7.529 7.529 7.596 -0.067 18438 2976 1 7 . 1 1 49 49 LEU N N 49 120.670 120.670 120.103 0.567 18438 2977 1 7 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.023 0.040 18438 2978 1 7 . 1 1 49 49 LEU C C 49 178.091 178.091 178.883 -0.792 18438 2979 1 7 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.839 0.420 18438 2980 1 7 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.683 0.576 18438 2981 1 7 . 1 1 49 49 LEU H H 49 8.847 8.847 8.408 0.439 18438 2982 1 7 . 1 1 50 50 LYS N N 50 119.596 119.596 119.826 -0.230 18438 2983 1 7 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.763 0.007 18438 2984 1 7 . 1 1 50 50 LYS C C 50 179.263 179.263 179.120 0.143 18438 2985 1 7 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.653 0.984 18438 2986 1 7 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.222 -0.224 18438 2987 1 7 . 1 1 50 50 LYS H H 50 8.001 8.001 7.655 0.346 18438 2988 1 7 . 1 1 51 51 TYR N N 51 118.606 118.606 117.800 0.806 18438 2989 1 7 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.355 -0.056 18438 2990 1 7 . 1 1 51 51 TYR C C 51 179.107 179.107 178.301 0.806 18438 2991 1 7 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.332 -1.094 18438 2992 1 7 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.576 -1.239 18438 2993 1 7 . 1 1 51 51 TYR H H 51 8.274 8.274 8.254 0.020 18438 2994 1 7 . 1 1 52 52 SER N N 52 117.699 117.699 117.231 0.468 18438 2995 1 7 . 1 1 52 52 SER HA H 52 4.227 4.227 4.178 0.049 18438 2996 1 7 . 1 1 52 52 SER C C 52 175.669 175.669 176.793 -1.124 18438 2997 1 7 . 1 1 52 52 SER CA C 52 63.312 63.312 62.468 0.844 18438 2998 1 7 . 1 1 52 52 SER CB C 52 63.520 63.520 63.109 0.411 18438 2999 1 7 . 1 1 52 52 SER H H 52 8.303 8.303 8.064 0.239 18438 3000 1 7 . 1 1 53 53 ILE N N 53 121.571 121.571 122.456 -0.885 18438 3001 1 7 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.512 -0.231 18438 3002 1 7 . 1 1 53 53 ILE C C 53 176.685 176.685 177.110 -0.425 18438 3003 1 7 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.527 0.512 18438 3004 1 7 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.511 0.011 18438 3005 1 7 . 1 1 53 53 ILE H H 53 8.543 8.543 8.318 0.225 18438 3006 1 7 . 1 1 54 54 LYS N N 54 117.799 117.799 119.991 -2.192 18438 3007 1 7 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.887 -0.010 18438 3008 1 7 . 1 1 54 54 LYS C C 54 179.107 179.107 178.929 0.178 18438 3009 1 7 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.629 0.223 18438 3010 1 7 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.374 -0.360 18438 3011 1 7 . 1 1 54 54 LYS H H 54 7.572 7.572 7.591 -0.019 18438 3012 1 7 . 1 1 55 55 ALA N N 55 121.284 121.284 121.420 -0.136 18438 3013 1 7 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.197 -0.082 18438 3014 1 7 . 1 1 55 55 ALA C C 55 180.201 180.201 180.001 0.200 18438 3015 1 7 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.928 0.069 18438 3016 1 7 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.320 -0.400 18438 3017 1 7 . 1 1 55 55 ALA H H 55 7.669 7.669 8.109 -0.440 18438 3018 1 7 . 1 1 56 56 LEU N N 56 119.236 119.236 118.516 0.720 18438 3019 1 7 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.108 0.312 18438 3020 1 7 . 1 1 56 56 LEU C C 56 179.966 179.966 178.641 1.325 18438 3021 1 7 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.047 -0.953 18438 3022 1 7 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.860 0.501 18438 3023 1 7 . 1 1 56 56 LEU H H 56 8.302 8.302 7.573 0.729 18438 3024 1 7 . 1 1 57 57 VAL N N 57 122.357 122.357 119.555 2.802 18438 3025 1 7 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.986 0.381 18438 3026 1 7 . 1 1 57 57 VAL C C 57 180.669 180.669 178.746 1.923 18438 3027 1 7 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.792 -0.686 18438 3028 1 7 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.623 0.383 18438 3029 1 7 . 1 1 57 57 VAL H H 57 8.555 8.555 8.062 0.493 18438 3030 1 7 . 1 1 58 58 GLN N N 58 120.472 120.472 118.904 1.568 18438 3031 1 7 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.115 0.010 18438 3032 1 7 . 1 1 58 58 GLN C C 58 177.154 177.154 177.073 0.081 18438 3033 1 7 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.723 0.097 18438 3034 1 7 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.788 -0.588 18438 3035 1 7 . 1 1 58 58 GLN H H 58 8.078 8.078 8.033 0.045 18438 3036 1 7 . 1 1 59 59 ASN N N 59 114.176 114.176 116.653 -2.477 18438 3037 1 7 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.727 0.152 18438 3038 1 7 . 1 1 59 59 ASN C C 59 175.122 175.122 175.104 0.018 18438 3039 1 7 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.850 -2.270 18438 3040 1 7 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.152 -1.456 18438 3041 1 7 . 1 1 59 59 ASN H H 59 7.704 7.704 7.765 -0.061 18438 3042 1 7 . 1 1 60 60 ASP N N 60 113.376 113.376 115.581 -2.205 18438 3043 1 7 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.436 0.027 18438 3044 1 7 . 1 1 60 60 ASP C C 60 175.279 175.279 176.546 -1.267 18438 3045 1 7 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.948 0.124 18438 3046 1 7 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.038 0.871 18438 3047 1 7 . 1 1 60 60 ASP H H 60 7.900 7.900 7.651 0.249 18438 3048 1 7 . 1 1 61 61 THR N N 61 117.382 117.382 111.910 5.472 18438 3049 1 7 . 1 1 61 61 THR HA H 61 4.097 4.097 4.415 -0.318 18438 3050 1 7 . 1 1 61 61 THR C C 61 174.966 174.966 174.487 0.479 18438 3051 1 7 . 1 1 61 61 THR CA C 61 67.141 67.141 65.625 1.516 18438 3052 1 7 . 1 1 61 61 THR CB C 61 68.143 68.143 70.002 -1.859 18438 3053 1 7 . 1 1 61 61 THR H H 61 8.776 8.776 8.256 0.520 18438 3054 1 7 . 1 1 62 62 LEU N N 62 118.406 118.406 119.229 -0.823 18438 3055 1 7 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.219 -0.056 18438 3056 1 7 . 1 1 62 62 LEU C C 62 175.122 175.122 175.763 -0.641 18438 3057 1 7 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.276 -1.435 18438 3058 1 7 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.793 -0.328 18438 3059 1 7 . 1 1 62 62 LEU H H 62 7.653 7.653 7.702 -0.049 18438 3060 1 7 . 1 1 63 63 LEU N N 63 119.075 119.075 119.153 -0.078 18438 3061 1 7 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.839 -0.189 18438 3062 1 7 . 1 1 63 63 LEU C C 63 175.904 175.904 175.464 0.440 18438 3063 1 7 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.724 -0.700 18438 3064 1 7 . 1 1 63 63 LEU CB C 63 44.041 44.041 46.256 -2.215 18438 3065 1 7 . 1 1 63 63 LEU H H 63 9.145 9.145 8.467 0.678 18438 3066 1 7 . 1 1 64 64 GLN N N 64 123.978 123.978 123.063 0.915 18438 3067 1 7 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.764 -0.188 18438 3068 1 7 . 1 1 64 64 GLN C C 64 175.435 175.435 175.386 0.049 18438 3069 1 7 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.371 -0.345 18438 3070 1 7 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.253 0.003 18438 3071 1 7 . 1 1 64 64 GLN H H 64 8.995 8.995 8.786 0.209 18438 3072 1 7 . 1 1 65 65 VAL N N 65 126.750 126.750 128.616 -1.866 18438 3073 1 7 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.252 -0.227 18438 3074 1 7 . 1 1 65 65 VAL C C 65 175.747 175.747 175.267 0.480 18438 3075 1 7 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.192 0.728 18438 3076 1 7 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.202 1.300 18438 3077 1 7 . 1 1 65 65 VAL H H 65 8.520 8.520 8.557 -0.037 18438 3078 1 7 . 1 1 66 66 LYS N N 66 124.150 124.150 123.301 0.849 18438 3079 1 7 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.241 -0.029 18438 3080 1 7 . 1 1 66 66 LYS C C 66 176.607 176.607 177.646 -1.039 18438 3081 1 7 . 1 1 66 66 LYS CA C 66 56.776 56.776 57.380 -0.604 18438 3082 1 7 . 1 1 66 66 LYS CB C 66 33.019 33.019 31.983 1.036 18438 3083 1 7 . 1 1 66 66 LYS H H 66 8.311 8.311 8.138 0.173 18438 3084 1 7 . 1 1 67 67 GLY N N 67 109.952 109.952 109.503 0.449 18438 3085 1 7 . 1 1 67 67 GLY C C 67 173.716 173.716 174.640 -0.924 18438 3086 1 7 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.583 -0.681 18438 3087 1 7 . 1 1 67 67 GLY H H 67 8.401 8.401 8.322 0.079 18438 3088 1 7 . 1 1 68 68 THR N N 68 111.619 111.619 117.639 -6.020 18438 3089 1 7 . 1 1 68 68 THR HA H 68 4.399 4.399 4.228 0.171 18438 3090 1 7 . 1 1 68 68 THR C C 68 175.279 175.279 174.620 0.659 18438 3091 1 7 . 1 1 68 68 THR CA C 68 61.243 61.243 62.147 -0.904 18438 3092 1 7 . 1 1 68 68 THR CB C 68 69.860 69.860 68.268 1.592 18438 3093 1 7 . 1 1 68 68 THR H H 68 8.032 8.032 7.502 0.530 18438 3094 1 7 . 1 1 69 69 GLY N N 69 111.951 111.951 116.298 -4.347 18438 3095 1 7 . 1 1 69 69 GLY C C 69 174.572 174.572 173.663 0.909 18438 3096 1 7 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.900 0.680 18438 3097 1 7 . 1 1 69 69 GLY H H 69 8.581 8.581 8.301 0.280 18438 3098 1 7 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.370 -0.068 18438 3099 1 7 . 1 1 70 70 ALA C C 70 177.774 177.774 176.854 0.920 18438 3100 1 7 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.807 0.254 18438 3101 1 7 . 1 1 70 70 ALA CB C 70 18.921 18.921 18.398 0.523 18438 3102 1 7 . 1 1 71 71 ASN N N 71 115.782 115.782 119.730 -3.948 18438 3103 1 7 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.724 0.156 18438 3104 1 7 . 1 1 71 71 ASN C C 71 174.966 174.966 174.638 0.328 18438 3105 1 7 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.633 -0.889 18438 3106 1 7 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.506 -0.289 18438 3107 1 7 . 1 1 71 71 ASN H H 71 8.151 8.151 8.325 -0.174 18438 3108 1 7 . 1 1 72 72 GLY N N 72 107.783 107.783 110.537 -2.754 18438 3109 1 7 . 1 1 72 72 GLY C C 72 172.700 172.700 171.974 0.726 18438 3110 1 7 . 1 1 72 72 GLY CA C 72 44.902 44.902 45.262 -0.360 18438 3111 1 7 . 1 1 72 72 GLY H H 72 8.051 8.051 8.028 0.023 18438 3112 1 7 . 1 1 73 73 SER N N 73 114.063 114.063 118.592 -4.529 18438 3113 1 7 . 1 1 73 73 SER HA H 73 4.484 4.484 4.721 -0.237 18438 3114 1 7 . 1 1 73 73 SER C C 73 172.480 172.480 172.744 -0.264 18438 3115 1 7 . 1 1 73 73 SER CA C 73 56.717 56.717 56.809 -0.092 18438 3116 1 7 . 1 1 73 73 SER CB C 73 65.043 65.043 65.277 -0.234 18438 3117 1 7 . 1 1 73 73 SER H H 73 7.761 7.761 7.573 0.188 18438 3118 1 7 . 1 1 74 74 PHE N N 74 119.449 119.449 118.526 0.923 18438 3119 1 7 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.703 -0.221 18438 3120 1 7 . 1 1 74 74 PHE C C 74 174.185 174.185 174.632 -0.447 18438 3121 1 7 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.855 0.606 18438 3122 1 7 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.623 -0.612 18438 3123 1 7 . 1 1 74 74 PHE H H 74 8.489 8.489 8.643 -0.154 18438 3124 1 7 . 1 1 75 75 LYS N N 75 119.294 119.294 120.301 -1.007 18438 3125 1 7 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.838 0.121 18438 3126 1 7 . 1 1 75 75 LYS C C 75 175.669 175.669 174.802 0.867 18438 3127 1 7 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.562 -1.158 18438 3128 1 7 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.168 1.071 18438 3129 1 7 . 1 1 75 75 LYS H H 75 8.894 8.894 8.760 0.134 18438 3130 1 7 . 1 1 76 76 LEU N N 76 121.201 121.201 121.104 0.097 18438 3131 1 7 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.270 0.102 18438 3132 1 7 . 1 1 76 76 LEU C C 76 177.075 177.075 176.920 0.155 18438 3133 1 7 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.990 -0.212 18438 3134 1 7 . 1 1 76 76 LEU CB C 76 41.641 41.641 41.682 -0.041 18438 3135 1 7 . 1 1 76 76 LEU H H 76 9.023 9.023 8.613 0.410 18438 3136 1 7 . 1 1 77 77 ASN N N 77 120.222 120.222 122.440 -2.218 18438 3137 1 7 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.952 -0.279 18438 3138 1 7 . 1 1 77 77 ASN C C 77 175.669 175.669 174.969 0.700 18438 3139 1 7 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.526 -1.724 18438 3140 1 7 . 1 1 77 77 ASN CB C 77 37.863 37.863 40.781 -2.917 18438 3141 1 7 . 1 1 77 77 ASN H H 77 8.333 8.333 8.811 -0.478 18438 3142 1 7 . 1 1 78 78 ARG N N 78 125.225 125.225 119.715 5.510 18438 3143 1 7 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.565 -0.352 18438 3144 1 7 . 1 1 78 78 ARG C C 78 176.607 176.607 175.389 1.218 18438 3145 1 7 . 1 1 78 78 ARG CA C 78 57.376 57.376 55.270 2.107 18438 3146 1 7 . 1 1 78 78 ARG CB C 78 30.041 30.041 32.456 -2.415 18438 3147 1 7 . 1 1 78 78 ARG H H 78 8.373 8.373 7.749 0.624 18438 3148 1 7 . 1 1 79 79 LYS N N 79 119.831 119.831 121.584 -1.753 18438 3149 1 7 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.301 -0.096 18438 3150 1 7 . 1 1 79 79 LYS C C 79 177.075 177.075 176.809 0.266 18438 3151 1 7 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.920 1.223 18438 3152 1 7 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.445 0.896 18438 3153 1 7 . 1 1 79 79 LYS H H 79 8.095 8.095 8.815 -0.720 18438 3154 1 7 . 1 1 80 80 LYS N N 80 119.767 119.767 119.025 0.742 18438 3155 1 7 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.101 0.203 18438 3156 1 7 . 1 1 80 80 LYS C C 80 176.607 176.607 177.172 -0.565 18438 3157 1 7 . 1 1 80 80 LYS CA C 80 56.085 56.085 57.192 -1.107 18438 3158 1 7 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.671 1.346 18438 3159 1 7 . 1 1 80 80 LYS H H 80 7.671 7.671 8.132 -0.461 18438 3160 1 7 . 1 1 81 81 LEU N N 81 121.868 121.868 118.147 3.721 18438 3161 1 7 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.019 0.338 18438 3162 1 7 . 1 1 81 81 LEU C C 81 177.214 177.214 177.171 0.043 18438 3163 1 7 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.204 -1.833 18438 3164 1 7 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.439 0.048 18438 3165 1 7 . 1 1 81 81 LEU H H 81 7.996 7.996 7.870 0.126 18438 3166 1 7 . 1 1 82 82 GLU N N 82 120.499 120.499 111.523 8.976 18438 3167 1 7 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.457 -0.115 18438 3168 1 7 . 1 1 82 82 GLU C C 82 175.875 175.875 177.058 -1.183 18438 3169 1 7 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.073 0.258 18438 3170 1 7 . 1 1 82 82 GLU CB C 82 30.322 30.322 31.460 -1.138 18438 3171 1 7 . 1 1 82 82 GLU H H 82 8.262 8.262 7.782 0.480 18438 3172 1 8 . 1 1 3 3 MET HA H 3 4.270 4.270 4.452 -0.182 18438 3173 1 8 . 1 1 3 3 MET C C 3 175.362 175.362 175.806 -0.444 18438 3174 1 8 . 1 1 3 3 MET CA C 3 55.318 55.318 54.029 1.290 18438 3175 1 8 . 1 1 3 3 MET CB C 3 32.724 32.724 32.319 0.405 18438 3176 1 8 . 1 1 4 4 GLN N N 4 122.983 122.983 126.014 -3.031 18438 3177 1 8 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.507 0.056 18438 3178 1 8 . 1 1 4 4 GLN C C 4 173.835 173.835 174.314 -0.479 18438 3179 1 8 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.689 -0.168 18438 3180 1 8 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.586 0.179 18438 3181 1 8 . 1 1 4 4 GLN H H 4 8.267 8.267 8.412 -0.145 18438 3182 1 8 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.405 -0.437 18438 3183 1 8 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.842 1.150 18438 3184 1 8 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.108 0.588 18438 3185 1 8 . 1 1 6 6 GLY C C 6 175.512 175.512 175.153 0.359 18438 3186 1 8 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.602 1.434 18438 3187 1 8 . 1 1 7 7 LYS N N 7 121.187 121.187 125.449 -4.262 18438 3188 1 8 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.958 0.194 18438 3189 1 8 . 1 1 7 7 LYS C C 7 179.107 179.107 178.452 0.655 18438 3190 1 8 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.977 -1.022 18438 3191 1 8 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.258 -0.617 18438 3192 1 8 . 1 1 7 7 LYS H H 7 7.788 7.788 8.682 -0.894 18438 3193 1 8 . 1 1 8 8 TYR N N 8 119.428 119.428 116.782 2.646 18438 3194 1 8 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.632 -0.330 18438 3195 1 8 . 1 1 8 8 TYR C C 8 177.544 177.544 178.010 -0.466 18438 3196 1 8 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.680 1.920 18438 3197 1 8 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.971 0.199 18438 3198 1 8 . 1 1 8 8 TYR H H 8 8.197 8.197 8.854 -0.657 18438 3199 1 8 . 1 1 9 9 SER N N 9 116.845 116.845 115.307 1.538 18438 3200 1 8 . 1 1 9 9 SER HA H 9 4.241 4.241 4.204 0.037 18438 3201 1 8 . 1 1 9 9 SER C C 9 175.982 175.982 176.644 -0.662 18438 3202 1 8 . 1 1 9 9 SER CA C 9 62.258 62.258 61.336 0.923 18438 3203 1 8 . 1 1 9 9 SER CB C 9 62.254 62.254 62.503 -0.249 18438 3204 1 8 . 1 1 9 9 SER H H 9 8.279 8.279 8.468 -0.189 18438 3205 1 8 . 1 1 10 10 GLN N N 10 120.862 120.862 121.797 -0.935 18438 3206 1 8 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.129 -0.043 18438 3207 1 8 . 1 1 10 10 GLN C C 10 177.779 177.779 178.536 -0.757 18438 3208 1 8 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.305 0.437 18438 3209 1 8 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.358 -0.458 18438 3210 1 8 . 1 1 10 10 GLN H H 10 7.765 7.765 8.137 -0.372 18438 3211 1 8 . 1 1 11 11 LEU N N 11 119.752 119.752 121.675 -1.923 18438 3212 1 8 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.187 0.207 18438 3213 1 8 . 1 1 11 11 LEU C C 11 180.357 180.357 179.315 1.042 18438 3214 1 8 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.671 0.044 18438 3215 1 8 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.933 0.005 18438 3216 1 8 . 1 1 11 11 LEU H H 11 7.805 7.805 7.910 -0.105 18438 3217 1 8 . 1 1 12 12 VAL N N 12 122.619 122.619 119.228 3.391 18438 3218 1 8 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.537 -0.206 18438 3219 1 8 . 1 1 12 12 VAL C C 12 176.841 176.841 177.961 -1.120 18438 3220 1 8 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.081 1.337 18438 3221 1 8 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.636 -0.317 18438 3222 1 8 . 1 1 12 12 VAL H H 12 8.355 8.355 8.061 0.294 18438 3223 1 8 . 1 1 13 13 VAL N N 13 118.472 118.472 119.455 -0.983 18438 3224 1 8 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.609 -0.215 18438 3225 1 8 . 1 1 13 13 VAL C C 13 177.622 177.622 178.163 -0.541 18438 3226 1 8 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.157 0.610 18438 3227 1 8 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.412 0.492 18438 3228 1 8 . 1 1 13 13 VAL H H 13 7.636 7.636 7.559 0.077 18438 3229 1 8 . 1 1 14 14 GLU N N 14 117.137 117.137 119.216 -2.079 18438 3230 1 8 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.068 0.006 18438 3231 1 8 . 1 1 14 14 GLU C C 14 179.576 179.576 179.441 0.135 18438 3232 1 8 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.463 -0.634 18438 3233 1 8 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.370 0.029 18438 3234 1 8 . 1 1 14 14 GLU H H 14 8.642 8.642 8.214 0.428 18438 3235 1 8 . 1 1 15 15 THR N N 15 116.678 116.678 117.480 -0.802 18438 3236 1 8 . 1 1 15 15 THR HA H 15 3.859 3.859 4.069 -0.210 18438 3237 1 8 . 1 1 15 15 THR C C 15 175.669 175.669 176.359 -0.690 18438 3238 1 8 . 1 1 15 15 THR CA C 15 67.743 67.743 67.254 0.489 18438 3239 1 8 . 1 1 15 15 THR CB C 15 67.761 67.761 68.835 -1.074 18438 3240 1 8 . 1 1 15 15 THR H H 15 8.354 8.354 7.998 0.356 18438 3241 1 8 . 1 1 16 16 ILE N N 16 121.241 121.241 121.586 -0.345 18438 3242 1 8 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.760 -0.256 18438 3243 1 8 . 1 1 16 16 ILE C C 16 179.576 179.576 177.640 1.936 18438 3244 1 8 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.338 1.516 18438 3245 1 8 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.607 0.601 18438 3246 1 8 . 1 1 16 16 ILE H H 16 8.342 8.342 8.265 0.077 18438 3247 1 8 . 1 1 17 17 ARG N N 17 120.540 120.540 119.706 0.834 18438 3248 1 8 . 1 1 17 17 ARG HA H 17 3.982 3.982 3.957 0.025 18438 3249 1 8 . 1 1 17 17 ARG C C 17 178.482 178.482 178.081 0.401 18438 3250 1 8 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.179 0.347 18438 3251 1 8 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.157 0.145 18438 3252 1 8 . 1 1 17 17 ARG H H 17 8.496 8.496 7.764 0.732 18438 3253 1 8 . 1 1 18 18 ARG N N 18 118.955 118.955 117.316 1.639 18438 3254 1 8 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.115 -0.125 18438 3255 1 8 . 1 1 18 18 ARG C C 18 178.794 178.794 179.053 -0.259 18438 3256 1 8 . 1 1 18 18 ARG CA C 18 59.015 59.015 57.985 1.030 18438 3257 1 8 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.112 -0.001 18438 3258 1 8 . 1 1 18 18 ARG H H 18 8.257 8.257 7.803 0.454 18438 3259 1 8 . 1 1 19 19 LEU N N 19 118.486 118.486 117.395 1.091 18438 3260 1 8 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.165 -0.112 18438 3261 1 8 . 1 1 19 19 LEU C C 19 179.419 179.419 177.950 1.469 18438 3262 1 8 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.866 1.236 18438 3263 1 8 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.380 -0.084 18438 3264 1 8 . 1 1 19 19 LEU H H 19 8.179 8.179 8.147 0.032 18438 3265 1 8 . 1 1 20 20 GLY N N 20 104.303 104.303 106.531 -2.228 18438 3266 1 8 . 1 1 20 20 GLY C C 20 175.200 175.200 175.070 0.130 18438 3267 1 8 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.465 2.020 18438 3268 1 8 . 1 1 20 20 GLY H H 20 7.520 7.520 7.811 -0.291 18438 3269 1 8 . 1 1 21 21 GLU N N 21 118.725 118.725 118.341 0.384 18438 3270 1 8 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.208 0.012 18438 3271 1 8 . 1 1 21 21 GLU C C 21 179.280 179.280 176.298 2.982 18438 3272 1 8 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.395 1.174 18438 3273 1 8 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.175 -0.195 18438 3274 1 8 . 1 1 21 21 GLU H H 21 8.674 8.674 7.577 1.097 18438 3275 1 8 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.500 -0.495 18438 3276 1 8 . 1 1 22 22 ARG C C 22 177.150 177.150 176.028 1.122 18438 3277 1 8 . 1 1 22 22 ARG CA C 22 59.467 59.467 56.108 3.359 18438 3278 1 8 . 1 1 22 22 ARG CB C 22 29.953 29.953 31.021 -1.069 18438 3279 1 8 . 1 1 23 23 ASN N N 23 114.707 114.707 116.182 -1.475 18438 3280 1 8 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.771 0.227 18438 3281 1 8 . 1 1 23 23 ASN C C 23 174.888 174.888 174.144 0.744 18438 3282 1 8 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.785 -1.885 18438 3283 1 8 . 1 1 23 23 ASN CB C 23 38.504 38.504 42.074 -3.570 18438 3284 1 8 . 1 1 23 23 ASN H H 23 8.662 8.662 8.357 0.305 18438 3285 1 8 . 1 1 24 24 GLY N N 24 104.147 104.147 108.528 -4.381 18438 3286 1 8 . 1 1 24 24 GLY C C 24 172.075 172.075 172.833 -0.758 18438 3287 1 8 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.877 -0.177 18438 3288 1 8 . 1 1 24 24 GLY H H 24 7.130 7.130 7.933 -0.803 18438 3289 1 8 . 1 1 25 25 SER N N 25 113.134 113.134 118.173 -5.039 18438 3290 1 8 . 1 1 25 25 SER HA H 25 5.329 5.329 4.875 0.454 18438 3291 1 8 . 1 1 25 25 SER C C 25 173.716 173.716 175.296 -1.580 18438 3292 1 8 . 1 1 25 25 SER CA C 25 57.259 57.259 56.644 0.615 18438 3293 1 8 . 1 1 25 25 SER CB C 25 66.600 66.600 64.956 1.645 18438 3294 1 8 . 1 1 25 25 SER H H 25 8.661 8.661 8.256 0.405 18438 3295 1 8 . 1 1 26 26 SER N N 26 121.159 121.159 120.857 0.302 18438 3296 1 8 . 1 1 26 26 SER HA H 26 4.962 4.962 4.551 0.411 18438 3297 1 8 . 1 1 26 26 SER C C 26 174.732 174.732 176.098 -1.366 18438 3298 1 8 . 1 1 26 26 SER CA C 26 56.600 56.600 58.058 -1.458 18438 3299 1 8 . 1 1 26 26 SER CB C 26 65.369 65.369 63.963 1.406 18438 3300 1 8 . 1 1 26 26 SER H H 26 8.841 8.841 8.564 0.277 18438 3301 1 8 . 1 1 27 27 LEU N N 27 121.372 121.372 124.637 -3.265 18438 3302 1 8 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.205 -0.100 18438 3303 1 8 . 1 1 27 27 LEU C C 27 177.935 177.935 178.132 -0.197 18438 3304 1 8 . 1 1 27 27 LEU CA C 27 58.827 58.827 57.870 0.957 18438 3305 1 8 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.892 -0.951 18438 3306 1 8 . 1 1 27 27 LEU H H 27 9.303 9.303 8.415 0.888 18438 3307 1 8 . 1 1 28 28 ALA N N 28 119.606 119.606 120.362 -0.756 18438 3308 1 8 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.046 0.116 18438 3309 1 8 . 1 1 28 28 ALA C C 28 180.279 180.279 179.251 1.028 18438 3310 1 8 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.182 0.543 18438 3311 1 8 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.086 0.161 18438 3312 1 8 . 1 1 28 28 ALA H H 28 8.509 8.509 8.320 0.189 18438 3313 1 8 . 1 1 29 29 LYS N N 29 120.138 120.138 119.908 0.230 18438 3314 1 8 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.169 -0.040 18438 3315 1 8 . 1 1 29 29 LYS C C 29 178.950 178.950 178.923 0.027 18438 3316 1 8 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.328 0.257 18438 3317 1 8 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.089 0.394 18438 3318 1 8 . 1 1 29 29 LYS H H 29 7.873 7.873 7.422 0.451 18438 3319 1 8 . 1 1 30 30 ILE N N 30 119.535 119.535 119.690 -0.155 18438 3320 1 8 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.680 -0.175 18438 3321 1 8 . 1 1 30 30 ILE C C 30 177.466 177.466 177.565 -0.099 18438 3322 1 8 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.508 -0.147 18438 3323 1 8 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.171 0.451 18438 3324 1 8 . 1 1 30 30 ILE H H 30 8.505 8.505 8.354 0.151 18438 3325 1 8 . 1 1 31 31 TYR N N 31 119.439 119.439 120.864 -1.425 18438 3326 1 8 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.065 -0.097 18438 3327 1 8 . 1 1 31 31 TYR C C 31 175.513 175.513 177.270 -1.757 18438 3328 1 8 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.214 -1.314 18438 3329 1 8 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.304 -0.365 18438 3330 1 8 . 1 1 31 31 TYR H H 31 9.231 9.231 8.186 1.045 18438 3331 1 8 . 1 1 32 32 THR N N 32 113.378 113.378 113.826 -0.448 18438 3332 1 8 . 1 1 32 32 THR HA H 32 3.314 3.314 3.821 -0.507 18438 3333 1 8 . 1 1 32 32 THR C C 32 175.435 175.435 175.693 -0.258 18438 3334 1 8 . 1 1 32 32 THR CA C 32 66.900 66.900 67.083 -0.183 18438 3335 1 8 . 1 1 32 32 THR CB C 32 68.631 68.631 68.393 0.238 18438 3336 1 8 . 1 1 32 32 THR H H 32 7.936 7.936 7.748 0.188 18438 3337 1 8 . 1 1 33 33 GLU N N 33 117.565 117.565 119.149 -1.584 18438 3338 1 8 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.145 -0.095 18438 3339 1 8 . 1 1 33 33 GLU C C 33 178.716 178.716 178.463 0.253 18438 3340 1 8 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.357 -1.157 18438 3341 1 8 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.083 0.880 18438 3342 1 8 . 1 1 33 33 GLU H H 33 7.359 7.359 7.776 -0.416 18438 3343 1 8 . 1 1 34 34 ALA N N 34 124.323 124.323 121.633 2.690 18438 3344 1 8 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.898 -0.269 18438 3345 1 8 . 1 1 34 34 ALA C C 34 177.232 177.232 178.189 -0.957 18438 3346 1 8 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.987 0.667 18438 3347 1 8 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.509 -0.218 18438 3348 1 8 . 1 1 34 34 ALA H H 34 8.940 8.940 7.565 1.375 18438 3349 1 8 . 1 1 35 35 LYS N N 35 110.920 110.920 115.004 -4.084 18438 3350 1 8 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.210 -0.431 18438 3351 1 8 . 1 1 35 35 LYS C C 35 176.060 176.060 177.184 -1.124 18438 3352 1 8 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.479 -0.775 18438 3353 1 8 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.453 -0.655 18438 3354 1 8 . 1 1 35 35 LYS H H 35 7.277 7.277 7.514 -0.237 18438 3355 1 8 . 1 1 36 36 LYS N N 36 116.850 116.850 117.419 -0.569 18438 3356 1 8 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.038 -0.118 18438 3357 1 8 . 1 1 36 36 LYS C C 36 177.544 177.544 176.936 0.608 18438 3358 1 8 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.993 -0.210 18438 3359 1 8 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.658 0.386 18438 3360 1 8 . 1 1 36 36 LYS H H 36 6.808 6.808 7.170 -0.362 18438 3361 1 8 . 1 1 37 37 VAL N N 37 120.331 120.331 118.432 1.899 18438 3362 1 8 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.090 0.054 18438 3363 1 8 . 1 1 37 37 VAL C C 37 177.134 177.134 175.798 1.336 18438 3364 1 8 . 1 1 37 37 VAL CA C 37 60.228 60.228 59.764 0.464 18438 3365 1 8 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.903 0.158 18438 3366 1 8 . 1 1 37 37 VAL H H 37 7.413 7.413 6.860 0.553 18438 3367 1 8 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.327 -0.021 18438 3368 1 8 . 1 1 38 38 PRO C C 38 176.763 176.763 176.832 -0.069 18438 3369 1 8 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.867 0.553 18438 3370 1 8 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.959 0.002 18438 3371 1 8 . 1 1 39 39 TRP N N 39 110.211 110.211 114.735 -4.524 18438 3372 1 8 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.689 0.035 18438 3373 1 8 . 1 1 39 39 TRP C C 39 176.216 176.216 175.761 0.455 18438 3374 1 8 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.977 -1.477 18438 3375 1 8 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.776 0.151 18438 3376 1 8 . 1 1 39 39 TRP H H 39 6.356 6.356 7.651 -1.295 18438 3377 1 8 . 1 1 40 40 PHE N N 40 124.624 124.624 122.311 2.313 18438 3378 1 8 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.381 -0.685 18438 3379 1 8 . 1 1 40 40 PHE C C 40 174.966 174.966 175.139 -0.173 18438 3380 1 8 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.603 1.605 18438 3381 1 8 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.693 0.085 18438 3382 1 8 . 1 1 40 40 PHE H H 40 7.282 7.282 6.948 0.334 18438 3383 1 8 . 1 1 41 41 ASP N N 41 127.204 127.204 125.612 1.592 18438 3384 1 8 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.814 -0.172 18438 3385 1 8 . 1 1 41 41 ASP C C 41 175.904 175.904 176.402 -0.498 18438 3386 1 8 . 1 1 41 41 ASP CA C 41 53.329 53.329 52.700 0.629 18438 3387 1 8 . 1 1 41 41 ASP CB C 41 41.280 41.280 43.788 -2.508 18438 3388 1 8 . 1 1 41 41 ASP H H 41 7.038 7.038 8.057 -1.019 18438 3389 1 8 . 1 1 42 42 GLN N N 42 125.531 125.531 122.748 2.783 18438 3390 1 8 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.385 -0.208 18438 3391 1 8 . 1 1 42 42 GLN C C 42 178.169 178.169 178.343 -0.174 18438 3392 1 8 . 1 1 42 42 GLN CA C 42 57.959 57.959 58.884 -0.925 18438 3393 1 8 . 1 1 42 42 GLN CB C 42 27.522 27.522 29.017 -1.495 18438 3394 1 8 . 1 1 42 42 GLN H H 42 9.072 9.072 8.794 0.278 18438 3395 1 8 . 1 1 43 43 GLN N N 43 118.221 118.221 119.572 -1.351 18438 3396 1 8 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.069 0.258 18438 3397 1 8 . 1 1 43 43 GLN C C 43 177.154 177.154 178.130 -0.976 18438 3398 1 8 . 1 1 43 43 GLN CA C 43 58.141 58.141 58.445 -0.304 18438 3399 1 8 . 1 1 43 43 GLN CB C 43 29.254 29.254 28.598 0.656 18438 3400 1 8 . 1 1 43 43 GLN H H 43 8.356 8.356 7.897 0.459 18438 3401 1 8 . 1 1 44 44 ASN N N 44 115.402 115.402 115.187 0.215 18438 3402 1 8 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.423 0.308 18438 3403 1 8 . 1 1 44 44 ASN C C 44 175.200 175.200 176.811 -1.611 18438 3404 1 8 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.402 -1.802 18438 3405 1 8 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.756 2.303 18438 3406 1 8 . 1 1 44 44 ASN H H 44 8.163 8.163 8.338 -0.175 18438 3407 1 8 . 1 1 45 45 GLY N N 45 109.680 109.680 108.755 0.925 18438 3408 1 8 . 1 1 45 45 GLY C C 45 175.200 175.200 175.737 -0.537 18438 3409 1 8 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.141 2.059 18438 3410 1 8 . 1 1 45 45 GLY H H 45 8.094 8.094 7.824 0.270 18438 3411 1 8 . 1 1 46 46 ARG N N 46 121.367 121.367 120.996 0.371 18438 3412 1 8 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.363 -0.474 18438 3413 1 8 . 1 1 46 46 ARG C C 46 178.091 178.091 178.215 -0.124 18438 3414 1 8 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.143 1.727 18438 3415 1 8 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.498 -0.215 18438 3416 1 8 . 1 1 46 46 ARG H H 46 8.893 8.893 7.752 1.141 18438 3417 1 8 . 1 1 47 47 THR N N 47 116.630 116.630 116.600 0.030 18438 3418 1 8 . 1 1 47 47 THR HA H 47 3.668 3.668 4.153 -0.485 18438 3419 1 8 . 1 1 47 47 THR C C 47 176.060 176.060 176.945 -0.885 18438 3420 1 8 . 1 1 47 47 THR CA C 47 66.345 66.345 67.024 -0.679 18438 3421 1 8 . 1 1 47 47 THR CB C 47 67.794 67.794 68.318 -0.524 18438 3422 1 8 . 1 1 47 47 THR H H 47 7.397 7.397 7.456 -0.059 18438 3423 1 8 . 1 1 48 48 TYR N N 48 120.826 120.826 121.016 -0.190 18438 3424 1 8 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.194 0.219 18438 3425 1 8 . 1 1 48 48 TYR C C 48 180.279 180.279 178.200 2.079 18438 3426 1 8 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.421 -1.501 18438 3427 1 8 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.897 -1.797 18438 3428 1 8 . 1 1 48 48 TYR H H 48 7.529 7.529 7.607 -0.078 18438 3429 1 8 . 1 1 49 49 LEU N N 49 120.670 120.670 119.827 0.843 18438 3430 1 8 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.057 0.006 18438 3431 1 8 . 1 1 49 49 LEU C C 49 178.091 178.091 178.972 -0.881 18438 3432 1 8 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.068 0.191 18438 3433 1 8 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.663 0.596 18438 3434 1 8 . 1 1 49 49 LEU H H 49 8.847 8.847 8.617 0.230 18438 3435 1 8 . 1 1 50 50 LYS N N 50 119.596 119.596 119.620 -0.024 18438 3436 1 8 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.851 -0.081 18438 3437 1 8 . 1 1 50 50 LYS C C 50 179.263 179.263 179.084 0.179 18438 3438 1 8 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.708 0.929 18438 3439 1 8 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.318 -0.320 18438 3440 1 8 . 1 1 50 50 LYS H H 50 8.001 8.001 7.636 0.365 18438 3441 1 8 . 1 1 51 51 TYR N N 51 118.606 118.606 119.100 -0.494 18438 3442 1 8 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.270 0.029 18438 3443 1 8 . 1 1 51 51 TYR C C 51 179.107 179.107 178.188 0.919 18438 3444 1 8 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.773 -1.535 18438 3445 1 8 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.652 -1.315 18438 3446 1 8 . 1 1 51 51 TYR H H 51 8.274 8.274 8.333 -0.059 18438 3447 1 8 . 1 1 52 52 SER N N 52 117.699 117.699 117.069 0.630 18438 3448 1 8 . 1 1 52 52 SER HA H 52 4.227 4.227 4.157 0.070 18438 3449 1 8 . 1 1 52 52 SER C C 52 175.669 175.669 176.675 -1.006 18438 3450 1 8 . 1 1 52 52 SER CA C 52 63.312 63.312 62.913 0.399 18438 3451 1 8 . 1 1 52 52 SER CB C 52 63.520 63.520 63.120 0.400 18438 3452 1 8 . 1 1 52 52 SER H H 52 8.303 8.303 8.276 0.027 18438 3453 1 8 . 1 1 53 53 ILE N N 53 121.571 121.571 122.293 -0.722 18438 3454 1 8 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.479 -0.198 18438 3455 1 8 . 1 1 53 53 ILE C C 53 176.685 176.685 177.127 -0.442 18438 3456 1 8 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.501 0.538 18438 3457 1 8 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.349 0.173 18438 3458 1 8 . 1 1 53 53 ILE H H 53 8.543 8.543 8.328 0.215 18438 3459 1 8 . 1 1 54 54 LYS N N 54 117.799 117.799 120.185 -2.386 18438 3460 1 8 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.833 0.044 18438 3461 1 8 . 1 1 54 54 LYS C C 54 179.107 179.107 178.735 0.372 18438 3462 1 8 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.750 0.102 18438 3463 1 8 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.176 -0.162 18438 3464 1 8 . 1 1 54 54 LYS H H 54 7.572 7.572 7.906 -0.334 18438 3465 1 8 . 1 1 55 55 ALA N N 55 121.284 121.284 122.120 -0.836 18438 3466 1 8 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.080 0.035 18438 3467 1 8 . 1 1 55 55 ALA C C 55 180.201 180.201 179.850 0.351 18438 3468 1 8 . 1 1 55 55 ALA CA C 55 54.997 54.997 55.076 -0.079 18438 3469 1 8 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.486 -0.566 18438 3470 1 8 . 1 1 55 55 ALA H H 55 7.669 7.669 7.817 -0.148 18438 3471 1 8 . 1 1 56 56 LEU N N 56 119.236 119.236 118.684 0.552 18438 3472 1 8 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.032 0.388 18438 3473 1 8 . 1 1 56 56 LEU C C 56 179.966 179.966 178.832 1.134 18438 3474 1 8 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.455 -1.361 18438 3475 1 8 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.691 0.670 18438 3476 1 8 . 1 1 56 56 LEU H H 56 8.302 8.302 7.975 0.327 18438 3477 1 8 . 1 1 57 57 VAL N N 57 122.357 122.357 119.277 3.080 18438 3478 1 8 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.974 0.393 18438 3479 1 8 . 1 1 57 57 VAL C C 57 180.669 180.669 178.905 1.764 18438 3480 1 8 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.471 -0.365 18438 3481 1 8 . 1 1 57 57 VAL CB C 57 32.006 32.006 30.949 1.057 18438 3482 1 8 . 1 1 57 57 VAL H H 57 8.555 8.555 8.313 0.242 18438 3483 1 8 . 1 1 58 58 GLN N N 58 120.472 120.472 119.545 0.927 18438 3484 1 8 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.071 0.054 18438 3485 1 8 . 1 1 58 58 GLN C C 58 177.154 177.154 177.500 -0.346 18438 3486 1 8 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.532 0.288 18438 3487 1 8 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.648 -0.449 18438 3488 1 8 . 1 1 58 58 GLN H H 58 8.078 8.078 7.729 0.349 18438 3489 1 8 . 1 1 59 59 ASN N N 59 114.176 114.176 115.705 -1.529 18438 3490 1 8 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.815 0.064 18438 3491 1 8 . 1 1 59 59 ASN C C 59 175.122 175.122 174.144 0.978 18438 3492 1 8 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.916 -2.336 18438 3493 1 8 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.127 -1.431 18438 3494 1 8 . 1 1 59 59 ASN H H 59 7.704 7.704 7.754 -0.050 18438 3495 1 8 . 1 1 60 60 ASP N N 60 113.376 113.376 115.998 -2.622 18438 3496 1 8 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.341 0.122 18438 3497 1 8 . 1 1 60 60 ASP C C 60 175.279 175.279 175.918 -0.639 18438 3498 1 8 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.752 0.320 18438 3499 1 8 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.804 1.105 18438 3500 1 8 . 1 1 60 60 ASP H H 60 7.900 7.900 7.870 0.030 18438 3501 1 8 . 1 1 61 61 THR N N 61 117.382 117.382 112.601 4.781 18438 3502 1 8 . 1 1 61 61 THR HA H 61 4.097 4.097 4.271 -0.174 18438 3503 1 8 . 1 1 61 61 THR C C 61 174.966 174.966 174.109 0.857 18438 3504 1 8 . 1 1 61 61 THR CA C 61 67.141 67.141 65.729 1.412 18438 3505 1 8 . 1 1 61 61 THR CB C 61 68.143 68.143 69.800 -1.657 18438 3506 1 8 . 1 1 61 61 THR H H 61 8.776 8.776 8.290 0.486 18438 3507 1 8 . 1 1 62 62 LEU N N 62 118.406 118.406 120.220 -1.814 18438 3508 1 8 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.472 -0.309 18438 3509 1 8 . 1 1 62 62 LEU C C 62 175.122 175.122 175.395 -0.273 18438 3510 1 8 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.269 -1.428 18438 3511 1 8 . 1 1 62 62 LEU CB C 62 45.465 45.465 46.035 -0.570 18438 3512 1 8 . 1 1 62 62 LEU H H 62 7.653 7.653 7.514 0.139 18438 3513 1 8 . 1 1 63 63 LEU N N 63 119.075 119.075 122.413 -3.338 18438 3514 1 8 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.770 -0.120 18438 3515 1 8 . 1 1 63 63 LEU C C 63 175.904 175.904 175.328 0.576 18438 3516 1 8 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.612 -0.588 18438 3517 1 8 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.642 -0.601 18438 3518 1 8 . 1 1 63 63 LEU H H 63 9.145 9.145 8.454 0.691 18438 3519 1 8 . 1 1 64 64 GLN N N 64 123.978 123.978 123.178 0.800 18438 3520 1 8 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.359 0.217 18438 3521 1 8 . 1 1 64 64 GLN C C 64 175.435 175.435 174.461 0.974 18438 3522 1 8 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.014 0.012 18438 3523 1 8 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.002 0.254 18438 3524 1 8 . 1 1 64 64 GLN H H 64 8.995 8.995 8.615 0.380 18438 3525 1 8 . 1 1 65 65 VAL N N 65 126.750 126.750 125.398 1.352 18438 3526 1 8 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.335 -0.310 18438 3527 1 8 . 1 1 65 65 VAL C C 65 175.747 175.747 174.876 0.871 18438 3528 1 8 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.052 0.868 18438 3529 1 8 . 1 1 65 65 VAL CB C 65 32.502 32.502 34.199 -1.697 18438 3530 1 8 . 1 1 65 65 VAL H H 65 8.520 8.520 8.408 0.112 18438 3531 1 8 . 1 1 66 66 LYS N N 66 124.150 124.150 124.748 -0.598 18438 3532 1 8 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.763 -0.551 18438 3533 1 8 . 1 1 66 66 LYS C C 66 176.607 176.607 177.047 -0.440 18438 3534 1 8 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.294 0.482 18438 3535 1 8 . 1 1 66 66 LYS CB C 66 33.019 33.019 32.938 0.082 18438 3536 1 8 . 1 1 66 66 LYS H H 66 8.311 8.311 8.560 -0.249 18438 3537 1 8 . 1 1 67 67 GLY N N 67 109.952 109.952 109.555 0.397 18438 3538 1 8 . 1 1 67 67 GLY C C 67 173.716 173.716 175.921 -2.205 18438 3539 1 8 . 1 1 67 67 GLY CA C 67 44.902 44.902 46.471 -1.569 18438 3540 1 8 . 1 1 67 67 GLY H H 67 8.401 8.401 8.175 0.226 18438 3541 1 8 . 1 1 68 68 THR N N 68 111.619 111.619 114.886 -3.267 18438 3542 1 8 . 1 1 68 68 THR HA H 68 4.399 4.399 4.229 0.170 18438 3543 1 8 . 1 1 68 68 THR C C 68 175.279 175.279 174.013 1.266 18438 3544 1 8 . 1 1 68 68 THR CA C 68 61.243 61.243 62.700 -1.457 18438 3545 1 8 . 1 1 68 68 THR CB C 68 69.860 69.860 69.273 0.587 18438 3546 1 8 . 1 1 68 68 THR H H 68 8.032 8.032 7.944 0.088 18438 3547 1 8 . 1 1 69 69 GLY N N 69 111.951 111.951 107.434 4.517 18438 3548 1 8 . 1 1 69 69 GLY C C 69 174.572 174.572 172.728 1.844 18438 3549 1 8 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.333 0.247 18438 3550 1 8 . 1 1 69 69 GLY H H 69 8.581 8.581 7.271 1.310 18438 3551 1 8 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.406 -0.104 18438 3552 1 8 . 1 1 70 70 ALA C C 70 177.774 177.774 176.678 1.096 18438 3553 1 8 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.193 0.868 18438 3554 1 8 . 1 1 70 70 ALA CB C 70 18.921 18.921 17.609 1.312 18438 3555 1 8 . 1 1 71 71 ASN N N 71 115.782 115.782 117.972 -2.190 18438 3556 1 8 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.763 0.117 18438 3557 1 8 . 1 1 71 71 ASN C C 71 174.966 174.966 174.272 0.694 18438 3558 1 8 . 1 1 71 71 ASN CA C 71 52.744 52.744 52.158 0.586 18438 3559 1 8 . 1 1 71 71 ASN CB C 71 39.217 39.217 38.911 0.306 18438 3560 1 8 . 1 1 71 71 ASN H H 71 8.151 8.151 7.597 0.554 18438 3561 1 8 . 1 1 72 72 GLY N N 72 107.783 107.783 108.325 -0.542 18438 3562 1 8 . 1 1 72 72 GLY C C 72 172.700 172.700 173.271 -0.571 18438 3563 1 8 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.996 -0.094 18438 3564 1 8 . 1 1 72 72 GLY H H 72 8.051 8.051 7.849 0.202 18438 3565 1 8 . 1 1 73 73 SER N N 73 114.063 114.063 118.763 -4.700 18438 3566 1 8 . 1 1 73 73 SER HA H 73 4.484 4.484 4.759 -0.275 18438 3567 1 8 . 1 1 73 73 SER C C 73 172.480 172.480 173.059 -0.579 18438 3568 1 8 . 1 1 73 73 SER CA C 73 56.717 56.717 57.986 -1.269 18438 3569 1 8 . 1 1 73 73 SER CB C 73 65.043 65.043 64.085 0.958 18438 3570 1 8 . 1 1 73 73 SER H H 73 7.761 7.761 7.839 -0.078 18438 3571 1 8 . 1 1 74 74 PHE N N 74 119.449 119.449 125.416 -5.967 18438 3572 1 8 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.768 -0.286 18438 3573 1 8 . 1 1 74 74 PHE C C 74 174.185 174.185 175.888 -1.703 18438 3574 1 8 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.209 1.252 18438 3575 1 8 . 1 1 74 74 PHE CB C 74 43.011 43.011 42.446 0.565 18438 3576 1 8 . 1 1 74 74 PHE H H 74 8.489 8.489 8.854 -0.365 18438 3577 1 8 . 1 1 75 75 LYS N N 75 119.294 119.294 120.077 -0.783 18438 3578 1 8 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.862 0.097 18438 3579 1 8 . 1 1 75 75 LYS C C 75 175.669 175.669 174.971 0.698 18438 3580 1 8 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.504 -1.100 18438 3581 1 8 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.338 0.901 18438 3582 1 8 . 1 1 75 75 LYS H H 75 8.894 8.894 8.502 0.392 18438 3583 1 8 . 1 1 76 76 LEU N N 76 121.201 121.201 122.214 -1.013 18438 3584 1 8 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.731 -0.359 18438 3585 1 8 . 1 1 76 76 LEU C C 76 177.075 177.075 176.989 0.086 18438 3586 1 8 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.123 1.655 18438 3587 1 8 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.252 -0.611 18438 3588 1 8 . 1 1 76 76 LEU H H 76 9.023 9.023 8.283 0.740 18438 3589 1 8 . 1 1 77 77 ASN N N 77 120.222 120.222 123.515 -3.293 18438 3590 1 8 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.671 0.002 18438 3591 1 8 . 1 1 77 77 ASN C C 77 175.669 175.669 175.797 -0.128 18438 3592 1 8 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.441 -1.639 18438 3593 1 8 . 1 1 77 77 ASN CB C 77 37.863 37.863 37.952 -0.089 18438 3594 1 8 . 1 1 77 77 ASN H H 77 8.333 8.333 8.588 -0.255 18438 3595 1 8 . 1 1 78 78 ARG N N 78 125.225 125.225 126.344 -1.119 18438 3596 1 8 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.098 0.115 18438 3597 1 8 . 1 1 78 78 ARG C C 78 176.607 176.607 176.166 0.441 18438 3598 1 8 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.611 -1.234 18438 3599 1 8 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.502 -0.461 18438 3600 1 8 . 1 1 78 78 ARG H H 78 8.373 8.373 8.091 0.282 18438 3601 1 8 . 1 1 79 79 LYS N N 79 119.831 119.831 116.182 3.649 18438 3602 1 8 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.492 -0.287 18438 3603 1 8 . 1 1 79 79 LYS C C 79 177.075 177.075 176.725 0.350 18438 3604 1 8 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.832 1.311 18438 3605 1 8 . 1 1 79 79 LYS CB C 79 32.341 32.341 30.828 1.513 18438 3606 1 8 . 1 1 79 79 LYS H H 79 8.095 8.095 8.226 -0.131 18438 3607 1 8 . 1 1 80 80 LYS N N 80 119.767 119.767 122.382 -2.615 18438 3608 1 8 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.362 -0.058 18438 3609 1 8 . 1 1 80 80 LYS C C 80 176.607 176.607 178.254 -1.647 18438 3610 1 8 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.572 -2.487 18438 3611 1 8 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.187 0.830 18438 3612 1 8 . 1 1 80 80 LYS H H 80 7.671 7.671 7.813 -0.142 18438 3613 1 8 . 1 1 81 81 LEU N N 81 121.868 121.868 119.491 2.377 18438 3614 1 8 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.081 0.276 18438 3615 1 8 . 1 1 81 81 LEU C C 81 177.214 177.214 178.119 -0.905 18438 3616 1 8 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.387 -2.016 18438 3617 1 8 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.945 0.542 18438 3618 1 8 . 1 1 81 81 LEU H H 81 7.996 7.996 8.154 -0.158 18438 3619 1 8 . 1 1 82 82 GLU N N 82 120.499 120.499 115.550 4.949 18438 3620 1 8 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.463 -0.121 18438 3621 1 8 . 1 1 82 82 GLU C C 82 175.875 175.875 176.975 -1.100 18438 3622 1 8 . 1 1 82 82 GLU CA C 82 56.331 56.331 55.841 0.490 18438 3623 1 8 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.127 0.195 18438 3624 1 8 . 1 1 82 82 GLU H H 82 8.262 8.262 7.734 0.528 18438 3625 1 9 . 1 1 3 3 MET HA H 3 4.270 4.270 4.583 -0.313 18438 3626 1 9 . 1 1 3 3 MET C C 3 175.362 175.362 175.455 -0.093 18438 3627 1 9 . 1 1 3 3 MET CA C 3 55.318 55.318 54.076 1.242 18438 3628 1 9 . 1 1 3 3 MET CB C 3 32.724 32.724 33.888 -1.164 18438 3629 1 9 . 1 1 4 4 GLN N N 4 122.983 122.983 120.074 2.909 18438 3630 1 9 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.413 0.150 18438 3631 1 9 . 1 1 4 4 GLN C C 4 173.835 173.835 174.855 -1.020 18438 3632 1 9 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.214 -0.693 18438 3633 1 9 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.694 0.071 18438 3634 1 9 . 1 1 4 4 GLN H H 4 8.267 8.267 8.200 0.067 18438 3635 1 9 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.485 -0.517 18438 3636 1 9 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.904 1.087 18438 3637 1 9 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.614 0.082 18438 3638 1 9 . 1 1 6 6 GLY C C 6 175.512 175.512 175.221 0.291 18438 3639 1 9 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.589 1.447 18438 3640 1 9 . 1 1 7 7 LYS N N 7 121.187 121.187 127.588 -6.401 18438 3641 1 9 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.023 0.129 18438 3642 1 9 . 1 1 7 7 LYS C C 7 179.107 179.107 177.578 1.529 18438 3643 1 9 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.986 -0.030 18438 3644 1 9 . 1 1 7 7 LYS CB C 7 31.641 31.641 31.802 -0.161 18438 3645 1 9 . 1 1 7 7 LYS H H 7 7.788 7.788 8.354 -0.566 18438 3646 1 9 . 1 1 8 8 TYR N N 8 119.428 119.428 119.767 -0.339 18438 3647 1 9 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.756 -0.454 18438 3648 1 9 . 1 1 8 8 TYR C C 8 177.544 177.544 178.046 -0.502 18438 3649 1 9 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.372 2.228 18438 3650 1 9 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.871 0.299 18438 3651 1 9 . 1 1 8 8 TYR H H 8 8.197 8.197 8.485 -0.288 18438 3652 1 9 . 1 1 9 9 SER N N 9 116.845 116.845 116.047 0.798 18438 3653 1 9 . 1 1 9 9 SER HA H 9 4.241 4.241 4.174 0.067 18438 3654 1 9 . 1 1 9 9 SER C C 9 175.982 175.982 176.411 -0.429 18438 3655 1 9 . 1 1 9 9 SER CA C 9 62.258 62.258 62.244 0.014 18438 3656 1 9 . 1 1 9 9 SER CB C 9 62.254 62.254 62.476 -0.222 18438 3657 1 9 . 1 1 9 9 SER H H 9 8.279 8.279 8.574 -0.295 18438 3658 1 9 . 1 1 10 10 GLN N N 10 120.862 120.862 121.132 -0.270 18438 3659 1 9 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.084 0.002 18438 3660 1 9 . 1 1 10 10 GLN C C 10 177.779 177.779 178.203 -0.424 18438 3661 1 9 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.775 -0.033 18438 3662 1 9 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.626 -0.726 18438 3663 1 9 . 1 1 10 10 GLN H H 10 7.765 7.765 7.990 -0.225 18438 3664 1 9 . 1 1 11 11 LEU N N 11 119.752 119.752 121.086 -1.334 18438 3665 1 9 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.163 0.231 18438 3666 1 9 . 1 1 11 11 LEU C C 11 180.357 180.357 178.759 1.598 18438 3667 1 9 . 1 1 11 11 LEU CA C 11 57.715 57.715 58.018 -0.303 18438 3668 1 9 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.816 0.121 18438 3669 1 9 . 1 1 11 11 LEU H H 11 7.805 7.805 7.880 -0.075 18438 3670 1 9 . 1 1 12 12 VAL N N 12 122.619 122.619 118.329 4.290 18438 3671 1 9 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.641 -0.310 18438 3672 1 9 . 1 1 12 12 VAL C C 12 176.841 176.841 178.242 -1.401 18438 3673 1 9 . 1 1 12 12 VAL CA C 12 68.417 68.417 66.570 1.847 18438 3674 1 9 . 1 1 12 12 VAL CB C 12 31.319 31.319 30.910 0.409 18438 3675 1 9 . 1 1 12 12 VAL H H 12 8.355 8.355 7.731 0.624 18438 3676 1 9 . 1 1 13 13 VAL N N 13 118.472 118.472 120.158 -1.686 18438 3677 1 9 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.578 -0.184 18438 3678 1 9 . 1 1 13 13 VAL C C 13 177.622 177.622 178.358 -0.736 18438 3679 1 9 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.021 0.746 18438 3680 1 9 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.390 0.514 18438 3681 1 9 . 1 1 13 13 VAL H H 13 7.636 7.636 7.470 0.166 18438 3682 1 9 . 1 1 14 14 GLU N N 14 117.137 117.137 119.052 -1.915 18438 3683 1 9 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.145 -0.071 18438 3684 1 9 . 1 1 14 14 GLU C C 14 179.576 179.576 179.305 0.271 18438 3685 1 9 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.392 -0.563 18438 3686 1 9 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.069 0.331 18438 3687 1 9 . 1 1 14 14 GLU H H 14 8.642 8.642 8.188 0.454 18438 3688 1 9 . 1 1 15 15 THR N N 15 116.678 116.678 117.773 -1.095 18438 3689 1 9 . 1 1 15 15 THR HA H 15 3.859 3.859 4.052 -0.193 18438 3690 1 9 . 1 1 15 15 THR C C 15 175.669 175.669 176.641 -0.972 18438 3691 1 9 . 1 1 15 15 THR CA C 15 67.743 67.743 67.094 0.649 18438 3692 1 9 . 1 1 15 15 THR CB C 15 67.761 67.761 68.596 -0.835 18438 3693 1 9 . 1 1 15 15 THR H H 15 8.354 8.354 8.023 0.331 18438 3694 1 9 . 1 1 16 16 ILE N N 16 121.241 121.241 121.163 0.078 18438 3695 1 9 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.746 -0.242 18438 3696 1 9 . 1 1 16 16 ILE C C 16 179.576 179.576 177.876 1.700 18438 3697 1 9 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.995 1.859 18438 3698 1 9 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.621 0.587 18438 3699 1 9 . 1 1 16 16 ILE H H 16 8.342 8.342 7.925 0.417 18438 3700 1 9 . 1 1 17 17 ARG N N 17 120.540 120.540 120.096 0.444 18438 3701 1 9 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.013 -0.031 18438 3702 1 9 . 1 1 17 17 ARG C C 17 178.482 178.482 178.650 -0.168 18438 3703 1 9 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.477 0.050 18438 3704 1 9 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.205 0.097 18438 3705 1 9 . 1 1 17 17 ARG H H 17 8.496 8.496 7.899 0.597 18438 3706 1 9 . 1 1 18 18 ARG N N 18 118.955 118.955 118.711 0.244 18438 3707 1 9 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.122 -0.132 18438 3708 1 9 . 1 1 18 18 ARG C C 18 178.794 178.794 178.408 0.386 18438 3709 1 9 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.516 0.499 18438 3710 1 9 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.128 -0.017 18438 3711 1 9 . 1 1 18 18 ARG H H 18 8.257 8.257 7.696 0.561 18438 3712 1 9 . 1 1 19 19 LEU N N 19 118.486 118.486 117.632 0.854 18438 3713 1 9 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.197 -0.144 18438 3714 1 9 . 1 1 19 19 LEU C C 19 179.419 179.419 178.286 1.133 18438 3715 1 9 . 1 1 19 19 LEU CA C 19 57.102 57.102 56.019 1.083 18438 3716 1 9 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.230 0.066 18438 3717 1 9 . 1 1 19 19 LEU H H 19 8.179 8.179 7.824 0.355 18438 3718 1 9 . 1 1 20 20 GLY N N 20 104.303 104.303 105.757 -1.454 18438 3719 1 9 . 1 1 20 20 GLY C C 20 175.200 175.200 174.929 0.271 18438 3720 1 9 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.223 2.262 18438 3721 1 9 . 1 1 20 20 GLY H H 20 7.520 7.520 7.824 -0.304 18438 3722 1 9 . 1 1 21 21 GLU N N 21 118.725 118.725 118.801 -0.076 18438 3723 1 9 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.095 0.125 18438 3724 1 9 . 1 1 21 21 GLU C C 21 179.280 179.280 175.427 3.853 18438 3725 1 9 . 1 1 21 21 GLU CA C 21 57.569 57.569 57.555 0.014 18438 3726 1 9 . 1 1 21 21 GLU CB C 21 29.980 29.980 29.632 0.348 18438 3727 1 9 . 1 1 21 21 GLU H H 21 8.674 8.674 8.228 0.446 18438 3728 1 9 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.374 -0.369 18438 3729 1 9 . 1 1 22 22 ARG C C 22 177.150 177.150 176.409 0.741 18438 3730 1 9 . 1 1 22 22 ARG CA C 22 59.467 59.467 57.098 2.369 18438 3731 1 9 . 1 1 22 22 ARG CB C 22 29.953 29.953 31.773 -1.820 18438 3732 1 9 . 1 1 23 23 ASN N N 23 114.707 114.707 117.946 -3.239 18438 3733 1 9 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.707 0.291 18438 3734 1 9 . 1 1 23 23 ASN C C 23 174.888 174.888 175.327 -0.439 18438 3735 1 9 . 1 1 23 23 ASN CA C 23 51.900 51.900 54.233 -2.333 18438 3736 1 9 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.873 -2.369 18438 3737 1 9 . 1 1 23 23 ASN H H 23 8.662 8.662 8.035 0.627 18438 3738 1 9 . 1 1 24 24 GLY N N 24 104.147 104.147 106.661 -2.514 18438 3739 1 9 . 1 1 24 24 GLY C C 24 172.075 172.075 172.927 -0.852 18438 3740 1 9 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.656 0.045 18438 3741 1 9 . 1 1 24 24 GLY H H 24 7.130 7.130 8.231 -1.101 18438 3742 1 9 . 1 1 25 25 SER N N 25 113.134 113.134 117.509 -4.375 18438 3743 1 9 . 1 1 25 25 SER HA H 25 5.329 5.329 4.867 0.462 18438 3744 1 9 . 1 1 25 25 SER C C 25 173.716 173.716 174.908 -1.192 18438 3745 1 9 . 1 1 25 25 SER CA C 25 57.259 57.259 57.096 0.163 18438 3746 1 9 . 1 1 25 25 SER CB C 25 66.600 66.600 65.245 1.355 18438 3747 1 9 . 1 1 25 25 SER H H 25 8.661 8.661 8.446 0.215 18438 3748 1 9 . 1 1 26 26 SER N N 26 121.159 121.159 120.713 0.446 18438 3749 1 9 . 1 1 26 26 SER HA H 26 4.962 4.962 4.508 0.454 18438 3750 1 9 . 1 1 26 26 SER C C 26 174.732 174.732 175.991 -1.259 18438 3751 1 9 . 1 1 26 26 SER CA C 26 56.600 56.600 58.310 -1.710 18438 3752 1 9 . 1 1 26 26 SER CB C 26 65.369 65.369 64.014 1.355 18438 3753 1 9 . 1 1 26 26 SER H H 26 8.841 8.841 8.805 0.036 18438 3754 1 9 . 1 1 27 27 LEU N N 27 121.372 121.372 124.116 -2.744 18438 3755 1 9 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.216 -0.111 18438 3756 1 9 . 1 1 27 27 LEU C C 27 177.935 177.935 177.998 -0.063 18438 3757 1 9 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.016 0.811 18438 3758 1 9 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.768 -0.827 18438 3759 1 9 . 1 1 27 27 LEU H H 27 9.303 9.303 8.438 0.865 18438 3760 1 9 . 1 1 28 28 ALA N N 28 119.606 119.606 120.668 -1.062 18438 3761 1 9 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.019 0.143 18438 3762 1 9 . 1 1 28 28 ALA C C 28 180.279 180.279 179.723 0.556 18438 3763 1 9 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.227 0.498 18438 3764 1 9 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.056 0.191 18438 3765 1 9 . 1 1 28 28 ALA H H 28 8.509 8.509 7.895 0.614 18438 3766 1 9 . 1 1 29 29 LYS N N 29 120.138 120.138 119.755 0.383 18438 3767 1 9 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.151 -0.022 18438 3768 1 9 . 1 1 29 29 LYS C C 29 178.950 178.950 178.901 0.049 18438 3769 1 9 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.449 0.136 18438 3770 1 9 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.102 0.381 18438 3771 1 9 . 1 1 29 29 LYS H H 29 7.873 7.873 7.563 0.310 18438 3772 1 9 . 1 1 30 30 ILE N N 30 119.535 119.535 119.476 0.059 18438 3773 1 9 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.642 -0.137 18438 3774 1 9 . 1 1 30 30 ILE C C 30 177.466 177.466 177.803 -0.337 18438 3775 1 9 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.647 -0.286 18438 3776 1 9 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.025 0.597 18438 3777 1 9 . 1 1 30 30 ILE H H 30 8.505 8.505 8.276 0.229 18438 3778 1 9 . 1 1 31 31 TYR N N 31 119.439 119.439 120.596 -1.157 18438 3779 1 9 . 1 1 31 31 TYR HA H 31 3.968 3.968 3.993 -0.025 18438 3780 1 9 . 1 1 31 31 TYR C C 31 175.513 175.513 177.454 -1.941 18438 3781 1 9 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.908 -1.008 18438 3782 1 9 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.342 -0.403 18438 3783 1 9 . 1 1 31 31 TYR H H 31 9.231 9.231 8.002 1.229 18438 3784 1 9 . 1 1 32 32 THR N N 32 113.378 113.378 114.135 -0.757 18438 3785 1 9 . 1 1 32 32 THR HA H 32 3.314 3.314 3.832 -0.518 18438 3786 1 9 . 1 1 32 32 THR C C 32 175.435 175.435 175.827 -0.392 18438 3787 1 9 . 1 1 32 32 THR CA C 32 66.900 66.900 65.888 1.012 18438 3788 1 9 . 1 1 32 32 THR CB C 32 68.631 68.631 68.716 -0.085 18438 3789 1 9 . 1 1 32 32 THR H H 32 7.936 7.936 7.842 0.094 18438 3790 1 9 . 1 1 33 33 GLU N N 33 117.565 117.565 118.053 -0.488 18438 3791 1 9 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.269 -0.219 18438 3792 1 9 . 1 1 33 33 GLU C C 33 178.716 178.716 178.075 0.641 18438 3793 1 9 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.717 -0.516 18438 3794 1 9 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.587 0.376 18438 3795 1 9 . 1 1 33 33 GLU H H 33 7.359 7.359 7.651 -0.292 18438 3796 1 9 . 1 1 34 34 ALA N N 34 124.323 124.323 122.669 1.654 18438 3797 1 9 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.801 -0.172 18438 3798 1 9 . 1 1 34 34 ALA C C 34 177.232 177.232 178.055 -0.823 18438 3799 1 9 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.202 0.452 18438 3800 1 9 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.244 0.047 18438 3801 1 9 . 1 1 34 34 ALA H H 34 8.940 8.940 7.472 1.468 18438 3802 1 9 . 1 1 35 35 LYS N N 35 110.920 110.920 114.227 -3.307 18438 3803 1 9 . 1 1 35 35 LYS HA H 35 2.779 2.779 4.357 -1.578 18438 3804 1 9 . 1 1 35 35 LYS C C 35 176.060 176.060 176.826 -0.766 18438 3805 1 9 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.241 -0.537 18438 3806 1 9 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.361 -0.563 18438 3807 1 9 . 1 1 35 35 LYS H H 35 7.277 7.277 7.406 -0.129 18438 3808 1 9 . 1 1 36 36 LYS N N 36 116.850 116.850 117.808 -0.958 18438 3809 1 9 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.323 -0.403 18438 3810 1 9 . 1 1 36 36 LYS C C 36 177.544 177.544 176.295 1.249 18438 3811 1 9 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.405 0.378 18438 3812 1 9 . 1 1 36 36 LYS CB C 36 33.044 33.044 33.080 -0.036 18438 3813 1 9 . 1 1 36 36 LYS H H 36 6.808 6.808 7.292 -0.484 18438 3814 1 9 . 1 1 37 37 VAL N N 37 120.331 120.331 121.789 -1.458 18438 3815 1 9 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.236 -0.092 18438 3816 1 9 . 1 1 37 37 VAL C C 37 177.134 177.134 175.424 1.710 18438 3817 1 9 . 1 1 37 37 VAL CA C 37 60.228 60.228 59.682 0.546 18438 3818 1 9 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.205 -0.144 18438 3819 1 9 . 1 1 37 37 VAL H H 37 7.413 7.413 7.443 -0.030 18438 3820 1 9 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.432 -0.126 18438 3821 1 9 . 1 1 38 38 PRO C C 38 176.763 176.763 176.628 0.135 18438 3822 1 9 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.629 0.791 18438 3823 1 9 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.617 0.344 18438 3824 1 9 . 1 1 39 39 TRP N N 39 110.211 110.211 114.747 -4.536 18438 3825 1 9 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.854 -0.130 18438 3826 1 9 . 1 1 39 39 TRP C C 39 176.216 176.216 175.343 0.873 18438 3827 1 9 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.705 -1.205 18438 3828 1 9 . 1 1 39 39 TRP CB C 39 28.927 28.927 29.663 -0.736 18438 3829 1 9 . 1 1 39 39 TRP H H 39 6.356 6.356 7.522 -1.166 18438 3830 1 9 . 1 1 40 40 PHE N N 40 124.624 124.624 123.532 1.092 18438 3831 1 9 . 1 1 40 40 PHE HA H 40 3.696 3.696 3.927 -0.231 18438 3832 1 9 . 1 1 40 40 PHE C C 40 174.966 174.966 175.061 -0.095 18438 3833 1 9 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.397 1.811 18438 3834 1 9 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.145 0.633 18438 3835 1 9 . 1 1 40 40 PHE H H 40 7.282 7.282 7.289 -0.007 18438 3836 1 9 . 1 1 41 41 ASP N N 41 127.204 127.204 126.495 0.709 18438 3837 1 9 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.548 0.094 18438 3838 1 9 . 1 1 41 41 ASP C C 41 175.904 175.904 176.152 -0.248 18438 3839 1 9 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.594 -0.265 18438 3840 1 9 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.057 -0.777 18438 3841 1 9 . 1 1 41 41 ASP H H 41 7.038 7.038 8.101 -1.063 18438 3842 1 9 . 1 1 42 42 GLN N N 42 125.531 125.531 123.271 2.260 18438 3843 1 9 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.285 -0.108 18438 3844 1 9 . 1 1 42 42 GLN C C 42 178.169 178.169 176.608 1.561 18438 3845 1 9 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.045 0.914 18438 3846 1 9 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.578 -1.056 18438 3847 1 9 . 1 1 42 42 GLN H H 42 9.072 9.072 8.626 0.446 18438 3848 1 9 . 1 1 43 43 GLN N N 43 118.221 118.221 117.665 0.556 18438 3849 1 9 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.595 -0.268 18438 3850 1 9 . 1 1 43 43 GLN C C 43 177.154 177.154 177.497 -0.343 18438 3851 1 9 . 1 1 43 43 GLN CA C 43 58.141 58.141 56.602 1.538 18438 3852 1 9 . 1 1 43 43 GLN CB C 43 29.254 29.254 30.330 -1.076 18438 3853 1 9 . 1 1 43 43 GLN H H 43 8.356 8.356 7.961 0.395 18438 3854 1 9 . 1 1 44 44 ASN N N 44 115.402 115.402 119.083 -3.681 18438 3855 1 9 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.212 0.519 18438 3856 1 9 . 1 1 44 44 ASN C C 44 175.200 175.200 176.866 -1.666 18438 3857 1 9 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.950 -2.350 18438 3858 1 9 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.294 2.765 18438 3859 1 9 . 1 1 44 44 ASN H H 44 8.163 8.163 8.114 0.049 18438 3860 1 9 . 1 1 45 45 GLY N N 45 109.680 109.680 107.650 2.030 18438 3861 1 9 . 1 1 45 45 GLY C C 45 175.200 175.200 175.487 -0.287 18438 3862 1 9 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.291 1.909 18438 3863 1 9 . 1 1 45 45 GLY H H 45 8.094 8.094 8.149 -0.055 18438 3864 1 9 . 1 1 46 46 ARG N N 46 121.367 121.367 121.046 0.321 18438 3865 1 9 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.293 -0.404 18438 3866 1 9 . 1 1 46 46 ARG C C 46 178.091 178.091 178.063 0.028 18438 3867 1 9 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.400 1.470 18438 3868 1 9 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.271 0.012 18438 3869 1 9 . 1 1 46 46 ARG H H 46 8.893 8.893 7.638 1.255 18438 3870 1 9 . 1 1 47 47 THR N N 47 116.630 116.630 115.893 0.737 18438 3871 1 9 . 1 1 47 47 THR HA H 47 3.668 3.668 4.075 -0.407 18438 3872 1 9 . 1 1 47 47 THR C C 47 176.060 176.060 177.132 -1.072 18438 3873 1 9 . 1 1 47 47 THR CA C 47 66.345 66.345 67.288 -0.943 18438 3874 1 9 . 1 1 47 47 THR CB C 47 67.794 67.794 68.108 -0.314 18438 3875 1 9 . 1 1 47 47 THR H H 47 7.397 7.397 7.547 -0.150 18438 3876 1 9 . 1 1 48 48 TYR N N 48 120.826 120.826 120.822 0.004 18438 3877 1 9 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.242 0.171 18438 3878 1 9 . 1 1 48 48 TYR C C 48 180.279 180.279 178.203 2.076 18438 3879 1 9 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.437 -1.517 18438 3880 1 9 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.856 -1.756 18438 3881 1 9 . 1 1 48 48 TYR H H 48 7.529 7.529 7.678 -0.149 18438 3882 1 9 . 1 1 49 49 LEU N N 49 120.670 120.670 120.096 0.574 18438 3883 1 9 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.056 0.007 18438 3884 1 9 . 1 1 49 49 LEU C C 49 178.091 178.091 179.025 -0.934 18438 3885 1 9 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.064 0.195 18438 3886 1 9 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.677 0.582 18438 3887 1 9 . 1 1 49 49 LEU H H 49 8.847 8.847 8.568 0.279 18438 3888 1 9 . 1 1 50 50 LYS N N 50 119.596 119.596 119.722 -0.126 18438 3889 1 9 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.898 -0.128 18438 3890 1 9 . 1 1 50 50 LYS C C 50 179.263 179.263 179.285 -0.022 18438 3891 1 9 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.380 1.257 18438 3892 1 9 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.119 -0.121 18438 3893 1 9 . 1 1 50 50 LYS H H 50 8.001 8.001 8.002 -0.001 18438 3894 1 9 . 1 1 51 51 TYR N N 51 118.606 118.606 119.172 -0.566 18438 3895 1 9 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.334 -0.035 18438 3896 1 9 . 1 1 51 51 TYR C C 51 179.107 179.107 178.337 0.770 18438 3897 1 9 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.351 -1.113 18438 3898 1 9 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.410 -1.073 18438 3899 1 9 . 1 1 51 51 TYR H H 51 8.274 8.274 8.255 0.019 18438 3900 1 9 . 1 1 52 52 SER N N 52 117.699 117.699 117.000 0.699 18438 3901 1 9 . 1 1 52 52 SER HA H 52 4.227 4.227 4.239 -0.012 18438 3902 1 9 . 1 1 52 52 SER C C 52 175.669 175.669 176.452 -0.783 18438 3903 1 9 . 1 1 52 52 SER CA C 52 63.312 63.312 62.690 0.622 18438 3904 1 9 . 1 1 52 52 SER CB C 52 63.520 63.520 63.326 0.194 18438 3905 1 9 . 1 1 52 52 SER H H 52 8.303 8.303 8.165 0.138 18438 3906 1 9 . 1 1 53 53 ILE N N 53 121.571 121.571 122.211 -0.640 18438 3907 1 9 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.484 -0.203 18438 3908 1 9 . 1 1 53 53 ILE C C 53 176.685 176.685 177.214 -0.529 18438 3909 1 9 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.515 0.524 18438 3910 1 9 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.283 0.239 18438 3911 1 9 . 1 1 53 53 ILE H H 53 8.543 8.543 8.451 0.092 18438 3912 1 9 . 1 1 54 54 LYS N N 54 117.799 117.799 120.273 -2.474 18438 3913 1 9 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.882 -0.005 18438 3914 1 9 . 1 1 54 54 LYS C C 54 179.107 179.107 178.795 0.312 18438 3915 1 9 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.460 0.392 18438 3916 1 9 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.035 -0.021 18438 3917 1 9 . 1 1 54 54 LYS H H 54 7.572 7.572 7.742 -0.170 18438 3918 1 9 . 1 1 55 55 ALA N N 55 121.284 121.284 121.291 -0.007 18438 3919 1 9 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.177 -0.062 18438 3920 1 9 . 1 1 55 55 ALA C C 55 180.201 180.201 180.215 -0.014 18438 3921 1 9 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.969 0.028 18438 3922 1 9 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.334 -0.414 18438 3923 1 9 . 1 1 55 55 ALA H H 55 7.669 7.669 7.965 -0.296 18438 3924 1 9 . 1 1 56 56 LEU N N 56 119.236 119.236 118.608 0.628 18438 3925 1 9 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.067 0.353 18438 3926 1 9 . 1 1 56 56 LEU C C 56 179.966 179.966 178.901 1.065 18438 3927 1 9 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.285 -1.191 18438 3928 1 9 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.783 0.578 18438 3929 1 9 . 1 1 56 56 LEU H H 56 8.302 8.302 8.054 0.248 18438 3930 1 9 . 1 1 57 57 VAL N N 57 122.357 122.357 119.466 2.891 18438 3931 1 9 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.950 0.417 18438 3932 1 9 . 1 1 57 57 VAL C C 57 180.669 180.669 178.675 1.994 18438 3933 1 9 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.244 -1.138 18438 3934 1 9 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.660 0.346 18438 3935 1 9 . 1 1 57 57 VAL H H 57 8.555 8.555 8.242 0.313 18438 3936 1 9 . 1 1 58 58 GLN N N 58 120.472 120.472 119.062 1.410 18438 3937 1 9 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.096 0.029 18438 3938 1 9 . 1 1 58 58 GLN C C 58 177.154 177.154 177.376 -0.222 18438 3939 1 9 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.474 0.346 18438 3940 1 9 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.811 -0.611 18438 3941 1 9 . 1 1 58 58 GLN H H 58 8.078 8.078 7.699 0.379 18438 3942 1 9 . 1 1 59 59 ASN N N 59 114.176 114.176 116.394 -2.218 18438 3943 1 9 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.813 0.066 18438 3944 1 9 . 1 1 59 59 ASN C C 59 175.122 175.122 174.124 0.998 18438 3945 1 9 . 1 1 59 59 ASN CA C 59 51.580 51.580 54.092 -2.512 18438 3946 1 9 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.118 -1.422 18438 3947 1 9 . 1 1 59 59 ASN H H 59 7.704 7.704 7.899 -0.195 18438 3948 1 9 . 1 1 60 60 ASP N N 60 113.376 113.376 114.284 -0.908 18438 3949 1 9 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.304 0.159 18438 3950 1 9 . 1 1 60 60 ASP C C 60 175.279 175.279 176.253 -0.974 18438 3951 1 9 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.982 0.090 18438 3952 1 9 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.904 1.005 18438 3953 1 9 . 1 1 60 60 ASP H H 60 7.900 7.900 7.642 0.258 18438 3954 1 9 . 1 1 61 61 THR N N 61 117.382 117.382 111.805 5.577 18438 3955 1 9 . 1 1 61 61 THR HA H 61 4.097 4.097 4.149 -0.052 18438 3956 1 9 . 1 1 61 61 THR C C 61 174.966 174.966 174.305 0.661 18438 3957 1 9 . 1 1 61 61 THR CA C 61 67.141 67.141 65.732 1.409 18438 3958 1 9 . 1 1 61 61 THR CB C 61 68.143 68.143 69.652 -1.509 18438 3959 1 9 . 1 1 61 61 THR H H 61 8.776 8.776 8.148 0.628 18438 3960 1 9 . 1 1 62 62 LEU N N 62 118.406 118.406 120.064 -1.658 18438 3961 1 9 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.323 -0.160 18438 3962 1 9 . 1 1 62 62 LEU C C 62 175.122 175.122 175.786 -0.664 18438 3963 1 9 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.394 -1.553 18438 3964 1 9 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.187 0.278 18438 3965 1 9 . 1 1 62 62 LEU H H 62 7.653 7.653 7.560 0.093 18438 3966 1 9 . 1 1 63 63 LEU N N 63 119.075 119.075 121.552 -2.477 18438 3967 1 9 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.774 -0.124 18438 3968 1 9 . 1 1 63 63 LEU C C 63 175.904 175.904 175.732 0.172 18438 3969 1 9 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.681 -0.657 18438 3970 1 9 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.337 -0.297 18438 3971 1 9 . 1 1 63 63 LEU H H 63 9.145 9.145 8.647 0.498 18438 3972 1 9 . 1 1 64 64 GLN N N 64 123.978 123.978 125.830 -1.852 18438 3973 1 9 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.396 0.180 18438 3974 1 9 . 1 1 64 64 GLN C C 64 175.435 175.435 175.736 -0.301 18438 3975 1 9 . 1 1 64 64 GLN CA C 64 55.026 55.026 56.340 -1.313 18438 3976 1 9 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.495 0.761 18438 3977 1 9 . 1 1 64 64 GLN H H 64 8.995 8.995 8.913 0.082 18438 3978 1 9 . 1 1 65 65 VAL N N 65 126.750 126.750 125.039 1.711 18438 3979 1 9 . 1 1 65 65 VAL HA H 65 4.025 4.025 3.917 0.108 18438 3980 1 9 . 1 1 65 65 VAL C C 65 175.747 175.747 175.124 0.623 18438 3981 1 9 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.849 -0.929 18438 3982 1 9 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.608 0.894 18438 3983 1 9 . 1 1 65 65 VAL H H 65 8.520 8.520 8.449 0.071 18438 3984 1 9 . 1 1 66 66 LYS N N 66 124.150 124.150 115.726 8.424 18438 3985 1 9 . 1 1 66 66 LYS HA H 66 4.212 4.212 3.879 0.333 18438 3986 1 9 . 1 1 66 66 LYS C C 66 176.607 176.607 176.039 0.568 18438 3987 1 9 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.631 0.145 18438 3988 1 9 . 1 1 66 66 LYS CB C 66 33.019 33.019 31.328 1.692 18438 3989 1 9 . 1 1 66 66 LYS H H 66 8.311 8.311 7.048 1.263 18438 3990 1 9 . 1 1 67 67 GLY N N 67 109.952 109.952 109.183 0.769 18438 3991 1 9 . 1 1 67 67 GLY C C 67 173.716 173.716 174.730 -1.014 18438 3992 1 9 . 1 1 67 67 GLY CA C 67 44.902 44.902 46.106 -1.204 18438 3993 1 9 . 1 1 67 67 GLY H H 67 8.401 8.401 8.489 -0.088 18438 3994 1 9 . 1 1 68 68 THR N N 68 111.619 111.619 118.039 -6.420 18438 3995 1 9 . 1 1 68 68 THR HA H 68 4.399 4.399 4.263 0.136 18438 3996 1 9 . 1 1 68 68 THR C C 68 175.279 175.279 175.748 -0.469 18438 3997 1 9 . 1 1 68 68 THR CA C 68 61.243 61.243 61.101 0.142 18438 3998 1 9 . 1 1 68 68 THR CB C 68 69.860 69.860 69.161 0.699 18438 3999 1 9 . 1 1 68 68 THR H H 68 8.032 8.032 7.863 0.169 18438 4000 1 9 . 1 1 69 69 GLY N N 69 111.951 111.951 108.550 3.401 18438 4001 1 9 . 1 1 69 69 GLY C C 69 174.572 174.572 174.664 -0.092 18438 4002 1 9 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.351 0.229 18438 4003 1 9 . 1 1 69 69 GLY H H 69 8.581 8.581 8.412 0.169 18438 4004 1 9 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.436 -0.134 18438 4005 1 9 . 1 1 70 70 ALA C C 70 177.774 177.774 176.623 1.151 18438 4006 1 9 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.377 0.684 18438 4007 1 9 . 1 1 70 70 ALA CB C 70 18.921 18.921 20.105 -1.184 18438 4008 1 9 . 1 1 71 71 ASN N N 71 115.782 115.782 117.794 -2.012 18438 4009 1 9 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.742 0.138 18438 4010 1 9 . 1 1 71 71 ASN C C 71 174.966 174.966 174.409 0.557 18438 4011 1 9 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.923 -1.179 18438 4012 1 9 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.935 -0.718 18438 4013 1 9 . 1 1 71 71 ASN H H 71 8.151 8.151 8.744 -0.593 18438 4014 1 9 . 1 1 72 72 GLY N N 72 107.783 107.783 110.050 -2.267 18438 4015 1 9 . 1 1 72 72 GLY C C 72 172.700 172.700 172.463 0.237 18438 4016 1 9 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.984 -0.082 18438 4017 1 9 . 1 1 72 72 GLY H H 72 8.051 8.051 8.173 -0.122 18438 4018 1 9 . 1 1 73 73 SER N N 73 114.063 114.063 120.482 -6.419 18438 4019 1 9 . 1 1 73 73 SER HA H 73 4.484 4.484 5.100 -0.616 18438 4020 1 9 . 1 1 73 73 SER C C 73 172.480 172.480 172.773 -0.293 18438 4021 1 9 . 1 1 73 73 SER CA C 73 56.717 56.717 58.210 -1.493 18438 4022 1 9 . 1 1 73 73 SER CB C 73 65.043 65.043 64.499 0.544 18438 4023 1 9 . 1 1 73 73 SER H H 73 7.761 7.761 8.117 -0.356 18438 4024 1 9 . 1 1 74 74 PHE N N 74 119.449 119.449 120.084 -0.635 18438 4025 1 9 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.574 -0.092 18438 4026 1 9 . 1 1 74 74 PHE C C 74 174.185 174.185 174.689 -0.504 18438 4027 1 9 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.562 0.899 18438 4028 1 9 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.425 -0.414 18438 4029 1 9 . 1 1 74 74 PHE H H 74 8.489 8.489 8.680 -0.191 18438 4030 1 9 . 1 1 75 75 LYS N N 75 119.294 119.294 120.504 -1.210 18438 4031 1 9 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.837 0.122 18438 4032 1 9 . 1 1 75 75 LYS C C 75 175.669 175.669 174.475 1.194 18438 4033 1 9 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.015 -0.611 18438 4034 1 9 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.065 1.174 18438 4035 1 9 . 1 1 75 75 LYS H H 75 8.894 8.894 8.309 0.585 18438 4036 1 9 . 1 1 76 76 LEU N N 76 121.201 121.201 121.394 -0.193 18438 4037 1 9 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.635 -0.263 18438 4038 1 9 . 1 1 76 76 LEU C C 76 177.075 177.075 177.140 -0.065 18438 4039 1 9 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.882 0.896 18438 4040 1 9 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.381 -0.740 18438 4041 1 9 . 1 1 76 76 LEU H H 76 9.023 9.023 8.590 0.433 18438 4042 1 9 . 1 1 77 77 ASN N N 77 120.222 120.222 122.157 -1.935 18438 4043 1 9 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.728 -0.055 18438 4044 1 9 . 1 1 77 77 ASN C C 77 175.669 175.669 176.097 -0.428 18438 4045 1 9 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.177 -1.375 18438 4046 1 9 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.857 -0.994 18438 4047 1 9 . 1 1 77 77 ASN H H 77 8.333 8.333 8.433 -0.100 18438 4048 1 9 . 1 1 78 78 ARG N N 78 125.225 125.225 127.029 -1.804 18438 4049 1 9 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.266 -0.053 18438 4050 1 9 . 1 1 78 78 ARG C C 78 176.607 176.607 177.253 -0.646 18438 4051 1 9 . 1 1 78 78 ARG CA C 78 57.376 57.376 57.915 -0.539 18438 4052 1 9 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.707 -0.666 18438 4053 1 9 . 1 1 78 78 ARG H H 78 8.373 8.373 8.781 -0.408 18438 4054 1 9 . 1 1 79 79 LYS N N 79 119.831 119.831 118.882 0.949 18438 4055 1 9 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.424 -0.219 18438 4056 1 9 . 1 1 79 79 LYS C C 79 177.075 177.075 176.275 0.800 18438 4057 1 9 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.558 1.585 18438 4058 1 9 . 1 1 79 79 LYS CB C 79 32.341 32.341 32.277 0.064 18438 4059 1 9 . 1 1 79 79 LYS H H 79 8.095 8.095 7.840 0.255 18438 4060 1 9 . 1 1 80 80 LYS N N 80 119.767 119.767 120.178 -0.411 18438 4061 1 9 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.106 0.198 18438 4062 1 9 . 1 1 80 80 LYS C C 80 176.607 176.607 178.033 -1.426 18438 4063 1 9 . 1 1 80 80 LYS CA C 80 56.085 56.085 57.948 -1.863 18438 4064 1 9 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.311 0.706 18438 4065 1 9 . 1 1 80 80 LYS H H 80 7.671 7.671 7.770 -0.099 18438 4066 1 9 . 1 1 81 81 LEU N N 81 121.868 121.868 118.681 3.187 18438 4067 1 9 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.000 0.357 18438 4068 1 9 . 1 1 81 81 LEU C C 81 177.214 177.214 178.077 -0.863 18438 4069 1 9 . 1 1 81 81 LEU CA C 81 55.371 55.371 56.921 -1.550 18438 4070 1 9 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.904 0.583 18438 4071 1 9 . 1 1 81 81 LEU H H 81 7.996 7.996 8.245 -0.249 18438 4072 1 9 . 1 1 82 82 GLU N N 82 120.499 120.499 115.658 4.841 18438 4073 1 9 . 1 1 82 82 GLU HA H 82 4.342 4.342 3.971 0.371 18438 4074 1 9 . 1 1 82 82 GLU C C 82 175.875 175.875 177.514 -1.639 18438 4075 1 9 . 1 1 82 82 GLU CA C 82 56.331 56.331 58.253 -1.922 18438 4076 1 9 . 1 1 82 82 GLU CB C 82 30.322 30.322 27.971 2.351 18438 4077 1 9 . 1 1 82 82 GLU H H 82 8.262 8.262 8.278 -0.016 18438 4078 1 10 . 1 1 3 3 MET HA H 3 4.270 4.270 3.887 0.383 18438 4079 1 10 . 1 1 3 3 MET C C 3 175.362 175.362 174.712 0.650 18438 4080 1 10 . 1 1 3 3 MET CA C 3 55.318 55.318 56.491 -1.173 18438 4081 1 10 . 1 1 3 3 MET CB C 3 32.724 32.724 32.192 0.532 18438 4082 1 10 . 1 1 4 4 GLN N N 4 122.983 122.983 120.307 2.676 18438 4083 1 10 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.339 0.224 18438 4084 1 10 . 1 1 4 4 GLN C C 4 173.835 173.835 174.875 -1.040 18438 4085 1 10 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.912 -1.391 18438 4086 1 10 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.814 -0.049 18438 4087 1 10 . 1 1 4 4 GLN H H 4 8.267 8.267 7.640 0.627 18438 4088 1 10 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.466 -0.498 18438 4089 1 10 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.718 1.274 18438 4090 1 10 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.073 -0.377 18438 4091 1 10 . 1 1 6 6 GLY C C 6 175.512 175.512 174.867 0.645 18438 4092 1 10 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.909 1.127 18438 4093 1 10 . 1 1 7 7 LYS N N 7 121.187 121.187 119.230 1.957 18438 4094 1 10 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.014 0.138 18438 4095 1 10 . 1 1 7 7 LYS C C 7 179.107 179.107 177.368 1.739 18438 4096 1 10 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.532 0.423 18438 4097 1 10 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.145 -0.504 18438 4098 1 10 . 1 1 7 7 LYS H H 7 7.788 7.788 8.417 -0.629 18438 4099 1 10 . 1 1 8 8 TYR N N 8 119.428 119.428 118.269 1.159 18438 4100 1 10 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.635 -0.333 18438 4101 1 10 . 1 1 8 8 TYR C C 8 177.544 177.544 178.173 -0.629 18438 4102 1 10 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.162 2.438 18438 4103 1 10 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.342 -0.172 18438 4104 1 10 . 1 1 8 8 TYR H H 8 8.197 8.197 8.508 -0.311 18438 4105 1 10 . 1 1 9 9 SER N N 9 116.845 116.845 115.170 1.675 18438 4106 1 10 . 1 1 9 9 SER HA H 9 4.241 4.241 4.192 0.049 18438 4107 1 10 . 1 1 9 9 SER C C 9 175.982 175.982 176.630 -0.648 18438 4108 1 10 . 1 1 9 9 SER CA C 9 62.258 62.258 62.450 -0.192 18438 4109 1 10 . 1 1 9 9 SER CB C 9 62.254 62.254 62.839 -0.585 18438 4110 1 10 . 1 1 9 9 SER H H 9 8.279 8.279 7.999 0.280 18438 4111 1 10 . 1 1 10 10 GLN N N 10 120.862 120.862 120.580 0.282 18438 4112 1 10 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.033 0.053 18438 4113 1 10 . 1 1 10 10 GLN C C 10 177.779 177.779 178.400 -0.621 18438 4114 1 10 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.732 0.010 18438 4115 1 10 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.532 -0.632 18438 4116 1 10 . 1 1 10 10 GLN H H 10 7.765 7.765 7.580 0.185 18438 4117 1 10 . 1 1 11 11 LEU N N 11 119.752 119.752 121.171 -1.419 18438 4118 1 10 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.114 0.280 18438 4119 1 10 . 1 1 11 11 LEU C C 11 180.357 180.357 178.978 1.379 18438 4120 1 10 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.916 -0.201 18438 4121 1 10 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.926 0.012 18438 4122 1 10 . 1 1 11 11 LEU H H 11 7.805 7.805 7.822 -0.017 18438 4123 1 10 . 1 1 12 12 VAL N N 12 122.619 122.619 119.217 3.402 18438 4124 1 10 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.469 -0.138 18438 4125 1 10 . 1 1 12 12 VAL C C 12 176.841 176.841 178.036 -1.195 18438 4126 1 10 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.049 1.368 18438 4127 1 10 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.649 -0.330 18438 4128 1 10 . 1 1 12 12 VAL H H 12 8.355 8.355 7.787 0.568 18438 4129 1 10 . 1 1 13 13 VAL N N 13 118.472 118.472 119.832 -1.360 18438 4130 1 10 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.551 -0.157 18438 4131 1 10 . 1 1 13 13 VAL C C 13 177.622 177.622 178.307 -0.685 18438 4132 1 10 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.856 0.911 18438 4133 1 10 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.535 0.369 18438 4134 1 10 . 1 1 13 13 VAL H H 13 7.636 7.636 7.414 0.222 18438 4135 1 10 . 1 1 14 14 GLU N N 14 117.137 117.137 117.869 -0.732 18438 4136 1 10 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.160 -0.086 18438 4137 1 10 . 1 1 14 14 GLU C C 14 179.576 179.576 179.298 0.278 18438 4138 1 10 . 1 1 14 14 GLU CA C 14 58.829 58.829 58.950 -0.122 18438 4139 1 10 . 1 1 14 14 GLU CB C 14 29.400 29.400 28.916 0.483 18438 4140 1 10 . 1 1 14 14 GLU H H 14 8.642 8.642 7.834 0.808 18438 4141 1 10 . 1 1 15 15 THR N N 15 116.678 116.678 117.508 -0.830 18438 4142 1 10 . 1 1 15 15 THR HA H 15 3.859 3.859 4.135 -0.276 18438 4143 1 10 . 1 1 15 15 THR C C 15 175.669 175.669 176.257 -0.588 18438 4144 1 10 . 1 1 15 15 THR CA C 15 67.743 67.743 67.266 0.477 18438 4145 1 10 . 1 1 15 15 THR CB C 15 67.761 67.761 68.504 -0.743 18438 4146 1 10 . 1 1 15 15 THR H H 15 8.354 8.354 7.983 0.371 18438 4147 1 10 . 1 1 16 16 ILE N N 16 121.241 121.241 121.709 -0.468 18438 4148 1 10 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.817 -0.313 18438 4149 1 10 . 1 1 16 16 ILE C C 16 179.576 179.576 178.209 1.367 18438 4150 1 10 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.832 2.022 18438 4151 1 10 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.458 0.750 18438 4152 1 10 . 1 1 16 16 ILE H H 16 8.342 8.342 8.082 0.260 18438 4153 1 10 . 1 1 17 17 ARG N N 17 120.540 120.540 118.679 1.861 18438 4154 1 10 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.022 -0.040 18438 4155 1 10 . 1 1 17 17 ARG C C 17 178.482 178.482 178.317 0.165 18438 4156 1 10 . 1 1 17 17 ARG CA C 17 59.527 59.527 58.821 0.706 18438 4157 1 10 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.136 0.166 18438 4158 1 10 . 1 1 17 17 ARG H H 17 8.496 8.496 7.631 0.865 18438 4159 1 10 . 1 1 18 18 ARG N N 18 118.955 118.955 118.852 0.103 18438 4160 1 10 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.119 -0.129 18438 4161 1 10 . 1 1 18 18 ARG C C 18 178.794 178.794 178.262 0.532 18438 4162 1 10 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.017 0.997 18438 4163 1 10 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.908 0.203 18438 4164 1 10 . 1 1 18 18 ARG H H 18 8.257 8.257 7.663 0.594 18438 4165 1 10 . 1 1 19 19 LEU N N 19 118.486 118.486 116.992 1.494 18438 4166 1 10 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.245 -0.192 18438 4167 1 10 . 1 1 19 19 LEU C C 19 179.419 179.419 178.013 1.406 18438 4168 1 10 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.565 1.537 18438 4169 1 10 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.574 -0.278 18438 4170 1 10 . 1 1 19 19 LEU H H 19 8.179 8.179 7.901 0.278 18438 4171 1 10 . 1 1 20 20 GLY N N 20 104.303 104.303 106.514 -2.211 18438 4172 1 10 . 1 1 20 20 GLY C C 20 175.200 175.200 175.050 0.150 18438 4173 1 10 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.347 2.138 18438 4174 1 10 . 1 1 20 20 GLY H H 20 7.520 7.520 7.598 -0.078 18438 4175 1 10 . 1 1 21 21 GLU N N 21 118.725 118.725 119.046 -0.321 18438 4176 1 10 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.339 -0.119 18438 4177 1 10 . 1 1 21 21 GLU C C 21 179.280 179.280 176.793 2.487 18438 4178 1 10 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.322 1.246 18438 4179 1 10 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.855 -0.875 18438 4180 1 10 . 1 1 21 21 GLU H H 21 8.674 8.674 7.615 1.059 18438 4181 1 10 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.577 -0.572 18438 4182 1 10 . 1 1 22 22 ARG C C 22 177.150 177.150 176.989 0.161 18438 4183 1 10 . 1 1 22 22 ARG CA C 22 59.467 59.467 56.626 2.841 18438 4184 1 10 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.991 -1.038 18438 4185 1 10 . 1 1 23 23 ASN N N 23 114.707 114.707 118.083 -3.376 18438 4186 1 10 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.708 0.290 18438 4187 1 10 . 1 1 23 23 ASN C C 23 174.888 174.888 174.070 0.818 18438 4188 1 10 . 1 1 23 23 ASN CA C 23 51.900 51.900 52.684 -0.784 18438 4189 1 10 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.665 -2.161 18438 4190 1 10 . 1 1 23 23 ASN H H 23 8.662 8.662 8.224 0.438 18438 4191 1 10 . 1 1 24 24 GLY N N 24 104.147 104.147 105.388 -1.241 18438 4192 1 10 . 1 1 24 24 GLY C C 24 172.075 172.075 173.358 -1.283 18438 4193 1 10 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.430 0.270 18438 4194 1 10 . 1 1 24 24 GLY H H 24 7.130 7.130 7.643 -0.513 18438 4195 1 10 . 1 1 25 25 SER N N 25 113.134 113.134 119.537 -6.403 18438 4196 1 10 . 1 1 25 25 SER HA H 25 5.329 5.329 4.623 0.706 18438 4197 1 10 . 1 1 25 25 SER C C 25 173.716 173.716 174.309 -0.593 18438 4198 1 10 . 1 1 25 25 SER CA C 25 57.259 57.259 57.474 -0.215 18438 4199 1 10 . 1 1 25 25 SER CB C 25 66.600 66.600 64.403 2.197 18438 4200 1 10 . 1 1 25 25 SER H H 25 8.661 8.661 8.468 0.193 18438 4201 1 10 . 1 1 26 26 SER N N 26 121.159 121.159 122.637 -1.478 18438 4202 1 10 . 1 1 26 26 SER HA H 26 4.962 4.962 4.570 0.392 18438 4203 1 10 . 1 1 26 26 SER C C 26 174.732 174.732 175.746 -1.014 18438 4204 1 10 . 1 1 26 26 SER CA C 26 56.600 56.600 57.551 -0.951 18438 4205 1 10 . 1 1 26 26 SER CB C 26 65.369 65.369 63.997 1.372 18438 4206 1 10 . 1 1 26 26 SER H H 26 8.841 8.841 8.862 -0.021 18438 4207 1 10 . 1 1 27 27 LEU N N 27 121.372 121.372 124.269 -2.897 18438 4208 1 10 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.274 -0.169 18438 4209 1 10 . 1 1 27 27 LEU C C 27 177.935 177.935 177.672 0.263 18438 4210 1 10 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.005 0.822 18438 4211 1 10 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.954 -1.013 18438 4212 1 10 . 1 1 27 27 LEU H H 27 9.303 9.303 9.219 0.084 18438 4213 1 10 . 1 1 28 28 ALA N N 28 119.606 119.606 121.247 -1.641 18438 4214 1 10 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.067 0.095 18438 4215 1 10 . 1 1 28 28 ALA C C 28 180.279 180.279 179.711 0.568 18438 4216 1 10 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.036 0.689 18438 4217 1 10 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.157 0.090 18438 4218 1 10 . 1 1 28 28 ALA H H 28 8.509 8.509 7.650 0.859 18438 4219 1 10 . 1 1 29 29 LYS N N 29 120.138 120.138 118.866 1.272 18438 4220 1 10 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.068 0.061 18438 4221 1 10 . 1 1 29 29 LYS C C 29 178.950 178.950 179.134 -0.184 18438 4222 1 10 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.854 -0.269 18438 4223 1 10 . 1 1 29 29 LYS CB C 29 32.483 32.483 31.725 0.758 18438 4224 1 10 . 1 1 29 29 LYS H H 29 7.873 7.873 7.933 -0.060 18438 4225 1 10 . 1 1 30 30 ILE N N 30 119.535 119.535 119.026 0.509 18438 4226 1 10 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.719 -0.214 18438 4227 1 10 . 1 1 30 30 ILE C C 30 177.466 177.466 177.831 -0.365 18438 4228 1 10 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.083 0.278 18438 4229 1 10 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.094 0.528 18438 4230 1 10 . 1 1 30 30 ILE H H 30 8.505 8.505 8.347 0.158 18438 4231 1 10 . 1 1 31 31 TYR N N 31 119.439 119.439 121.233 -1.794 18438 4232 1 10 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.042 -0.074 18438 4233 1 10 . 1 1 31 31 TYR C C 31 175.513 175.513 177.370 -1.857 18438 4234 1 10 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.375 -1.475 18438 4235 1 10 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.419 -0.480 18438 4236 1 10 . 1 1 31 31 TYR H H 31 9.231 9.231 7.985 1.246 18438 4237 1 10 . 1 1 32 32 THR N N 32 113.378 113.378 114.038 -0.660 18438 4238 1 10 . 1 1 32 32 THR HA H 32 3.314 3.314 3.942 -0.628 18438 4239 1 10 . 1 1 32 32 THR C C 32 175.435 175.435 175.931 -0.496 18438 4240 1 10 . 1 1 32 32 THR CA C 32 66.900 66.900 66.390 0.510 18438 4241 1 10 . 1 1 32 32 THR CB C 32 68.631 68.631 68.467 0.164 18438 4242 1 10 . 1 1 32 32 THR H H 32 7.936 7.936 7.959 -0.023 18438 4243 1 10 . 1 1 33 33 GLU N N 33 117.565 117.565 117.931 -0.366 18438 4244 1 10 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.307 -0.257 18438 4245 1 10 . 1 1 33 33 GLU C C 33 178.716 178.716 178.008 0.708 18438 4246 1 10 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.660 -0.460 18438 4247 1 10 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.767 0.196 18438 4248 1 10 . 1 1 33 33 GLU H H 33 7.359 7.359 7.648 -0.289 18438 4249 1 10 . 1 1 34 34 ALA N N 34 124.323 124.323 121.601 2.722 18438 4250 1 10 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.950 -0.321 18438 4251 1 10 . 1 1 34 34 ALA C C 34 177.232 177.232 177.650 -0.418 18438 4252 1 10 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.618 1.036 18438 4253 1 10 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.501 -0.210 18438 4254 1 10 . 1 1 34 34 ALA H H 34 8.940 8.940 7.371 1.569 18438 4255 1 10 . 1 1 35 35 LYS N N 35 110.920 110.920 114.648 -3.728 18438 4256 1 10 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.077 -0.298 18438 4257 1 10 . 1 1 35 35 LYS C C 35 176.060 176.060 177.033 -0.973 18438 4258 1 10 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.047 -0.343 18438 4259 1 10 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.931 -1.133 18438 4260 1 10 . 1 1 35 35 LYS H H 35 7.277 7.277 7.315 -0.038 18438 4261 1 10 . 1 1 36 36 LYS N N 36 116.850 116.850 119.995 -3.145 18438 4262 1 10 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.265 -0.345 18438 4263 1 10 . 1 1 36 36 LYS C C 36 177.544 177.544 175.669 1.875 18438 4264 1 10 . 1 1 36 36 LYS CA C 36 56.783 56.783 55.916 0.867 18438 4265 1 10 . 1 1 36 36 LYS CB C 36 33.044 33.044 31.926 1.118 18438 4266 1 10 . 1 1 36 36 LYS H H 36 6.808 6.808 7.261 -0.453 18438 4267 1 10 . 1 1 37 37 VAL N N 37 120.331 120.331 118.795 1.536 18438 4268 1 10 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.362 -0.218 18438 4269 1 10 . 1 1 37 37 VAL C C 37 177.134 177.134 175.637 1.497 18438 4270 1 10 . 1 1 37 37 VAL CA C 37 60.228 60.228 57.768 2.460 18438 4271 1 10 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.313 -0.252 18438 4272 1 10 . 1 1 37 37 VAL H H 37 7.413 7.413 7.186 0.227 18438 4273 1 10 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.333 -0.027 18438 4274 1 10 . 1 1 38 38 PRO C C 38 176.763 176.763 176.875 -0.112 18438 4275 1 10 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.899 0.521 18438 4276 1 10 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.051 -0.090 18438 4277 1 10 . 1 1 39 39 TRP N N 39 110.211 110.211 115.882 -5.671 18438 4278 1 10 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.701 0.023 18438 4279 1 10 . 1 1 39 39 TRP C C 39 176.216 176.216 175.721 0.495 18438 4280 1 10 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.737 -1.237 18438 4281 1 10 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.775 0.152 18438 4282 1 10 . 1 1 39 39 TRP H H 39 6.356 6.356 7.415 -1.059 18438 4283 1 10 . 1 1 40 40 PHE N N 40 124.624 124.624 123.172 1.452 18438 4284 1 10 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.160 -0.464 18438 4285 1 10 . 1 1 40 40 PHE C C 40 174.966 174.966 174.781 0.185 18438 4286 1 10 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.474 1.734 18438 4287 1 10 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.585 0.193 18438 4288 1 10 . 1 1 40 40 PHE H H 40 7.282 7.282 6.904 0.378 18438 4289 1 10 . 1 1 41 41 ASP N N 41 127.204 127.204 126.198 1.006 18438 4290 1 10 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.736 -0.094 18438 4291 1 10 . 1 1 41 41 ASP C C 41 175.904 175.904 176.216 -0.312 18438 4292 1 10 . 1 1 41 41 ASP CA C 41 53.329 53.329 52.680 0.649 18438 4293 1 10 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.895 -1.615 18438 4294 1 10 . 1 1 41 41 ASP H H 41 7.038 7.038 7.972 -0.934 18438 4295 1 10 . 1 1 42 42 GLN N N 42 125.531 125.531 123.967 1.564 18438 4296 1 10 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.419 -0.242 18438 4297 1 10 . 1 1 42 42 GLN C C 42 178.169 178.169 176.887 1.282 18438 4298 1 10 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.732 0.227 18438 4299 1 10 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.915 -1.393 18438 4300 1 10 . 1 1 42 42 GLN H H 42 9.072 9.072 8.838 0.234 18438 4301 1 10 . 1 1 43 43 GLN N N 43 118.221 118.221 118.484 -0.263 18438 4302 1 10 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.299 0.028 18438 4303 1 10 . 1 1 43 43 GLN C C 43 177.154 177.154 178.103 -0.949 18438 4304 1 10 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.596 0.545 18438 4305 1 10 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.134 0.119 18438 4306 1 10 . 1 1 43 43 GLN H H 43 8.356 8.356 7.692 0.664 18438 4307 1 10 . 1 1 44 44 ASN N N 44 115.402 115.402 116.350 -0.948 18438 4308 1 10 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.587 0.144 18438 4309 1 10 . 1 1 44 44 ASN C C 44 175.200 175.200 176.630 -1.430 18438 4310 1 10 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.182 -0.582 18438 4311 1 10 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.592 2.467 18438 4312 1 10 . 1 1 44 44 ASN H H 44 8.163 8.163 8.308 -0.145 18438 4313 1 10 . 1 1 45 45 GLY N N 45 109.680 109.680 109.039 0.641 18438 4314 1 10 . 1 1 45 45 GLY C C 45 175.200 175.200 175.757 -0.557 18438 4315 1 10 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.358 1.842 18438 4316 1 10 . 1 1 45 45 GLY H H 45 8.094 8.094 7.964 0.130 18438 4317 1 10 . 1 1 46 46 ARG N N 46 121.367 121.367 121.235 0.132 18438 4318 1 10 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.399 -0.510 18438 4319 1 10 . 1 1 46 46 ARG C C 46 178.091 178.091 178.139 -0.048 18438 4320 1 10 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.459 1.411 18438 4321 1 10 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.560 -0.277 18438 4322 1 10 . 1 1 46 46 ARG H H 46 8.893 8.893 7.955 0.938 18438 4323 1 10 . 1 1 47 47 THR N N 47 116.630 116.630 116.881 -0.251 18438 4324 1 10 . 1 1 47 47 THR HA H 47 3.668 3.668 4.079 -0.411 18438 4325 1 10 . 1 1 47 47 THR C C 47 176.060 176.060 176.900 -0.840 18438 4326 1 10 . 1 1 47 47 THR CA C 47 66.345 66.345 66.621 -0.276 18438 4327 1 10 . 1 1 47 47 THR CB C 47 67.794 67.794 68.552 -0.758 18438 4328 1 10 . 1 1 47 47 THR H H 47 7.397 7.397 7.485 -0.088 18438 4329 1 10 . 1 1 48 48 TYR N N 48 120.826 120.826 120.628 0.198 18438 4330 1 10 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.180 0.233 18438 4331 1 10 . 1 1 48 48 TYR C C 48 180.279 180.279 178.230 2.049 18438 4332 1 10 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.986 -2.066 18438 4333 1 10 . 1 1 48 48 TYR CB C 48 35.100 35.100 37.065 -1.964 18438 4334 1 10 . 1 1 48 48 TYR H H 48 7.529 7.529 7.734 -0.205 18438 4335 1 10 . 1 1 49 49 LEU N N 49 120.670 120.670 120.612 0.058 18438 4336 1 10 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.235 -0.172 18438 4337 1 10 . 1 1 49 49 LEU C C 49 178.091 178.091 179.219 -1.128 18438 4338 1 10 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.565 0.695 18438 4339 1 10 . 1 1 49 49 LEU CB C 49 42.259 42.259 42.145 0.114 18438 4340 1 10 . 1 1 49 49 LEU H H 49 8.847 8.847 8.482 0.365 18438 4341 1 10 . 1 1 50 50 LYS N N 50 119.596 119.596 119.701 -0.105 18438 4342 1 10 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.913 -0.143 18438 4343 1 10 . 1 1 50 50 LYS C C 50 179.263 179.263 179.303 -0.040 18438 4344 1 10 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.396 1.241 18438 4345 1 10 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.197 -0.199 18438 4346 1 10 . 1 1 50 50 LYS H H 50 8.001 8.001 7.685 0.316 18438 4347 1 10 . 1 1 51 51 TYR N N 51 118.606 118.606 119.403 -0.797 18438 4348 1 10 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.316 -0.017 18438 4349 1 10 . 1 1 51 51 TYR C C 51 179.107 179.107 178.036 1.071 18438 4350 1 10 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.513 -1.275 18438 4351 1 10 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.867 -1.530 18438 4352 1 10 . 1 1 51 51 TYR H H 51 8.274 8.274 8.497 -0.223 18438 4353 1 10 . 1 1 52 52 SER N N 52 117.699 117.699 116.841 0.858 18438 4354 1 10 . 1 1 52 52 SER HA H 52 4.227 4.227 4.260 -0.033 18438 4355 1 10 . 1 1 52 52 SER C C 52 175.669 175.669 176.692 -1.023 18438 4356 1 10 . 1 1 52 52 SER CA C 52 63.312 63.312 62.173 1.139 18438 4357 1 10 . 1 1 52 52 SER CB C 52 63.520 63.520 63.395 0.125 18438 4358 1 10 . 1 1 52 52 SER H H 52 8.303 8.303 8.001 0.302 18438 4359 1 10 . 1 1 53 53 ILE N N 53 121.571 121.571 123.701 -2.130 18438 4360 1 10 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.520 -0.239 18438 4361 1 10 . 1 1 53 53 ILE C C 53 176.685 176.685 177.374 -0.689 18438 4362 1 10 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.477 0.562 18438 4363 1 10 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.343 0.179 18438 4364 1 10 . 1 1 53 53 ILE H H 53 8.543 8.543 8.495 0.048 18438 4365 1 10 . 1 1 54 54 LYS N N 54 117.799 117.799 119.909 -2.110 18438 4366 1 10 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.834 0.043 18438 4367 1 10 . 1 1 54 54 LYS C C 54 179.107 179.107 178.793 0.314 18438 4368 1 10 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.700 0.152 18438 4369 1 10 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.204 -0.190 18438 4370 1 10 . 1 1 54 54 LYS H H 54 7.572 7.572 7.890 -0.318 18438 4371 1 10 . 1 1 55 55 ALA N N 55 121.284 121.284 121.707 -0.423 18438 4372 1 10 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.151 -0.036 18438 4373 1 10 . 1 1 55 55 ALA C C 55 180.201 180.201 179.942 0.259 18438 4374 1 10 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.934 0.064 18438 4375 1 10 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.318 -0.398 18438 4376 1 10 . 1 1 55 55 ALA H H 55 7.669 7.669 7.875 -0.206 18438 4377 1 10 . 1 1 56 56 LEU N N 56 119.236 119.236 118.745 0.491 18438 4378 1 10 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.041 0.379 18438 4379 1 10 . 1 1 56 56 LEU C C 56 179.966 179.966 178.869 1.097 18438 4380 1 10 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.504 -1.409 18438 4381 1 10 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.830 0.531 18438 4382 1 10 . 1 1 56 56 LEU H H 56 8.302 8.302 7.872 0.430 18438 4383 1 10 . 1 1 57 57 VAL N N 57 122.357 122.357 119.264 3.093 18438 4384 1 10 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.970 0.397 18438 4385 1 10 . 1 1 57 57 VAL C C 57 180.669 180.669 178.699 1.970 18438 4386 1 10 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.165 -1.059 18438 4387 1 10 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.511 0.496 18438 4388 1 10 . 1 1 57 57 VAL H H 57 8.555 8.555 8.209 0.346 18438 4389 1 10 . 1 1 58 58 GLN N N 58 120.472 120.472 119.102 1.370 18438 4390 1 10 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.094 0.031 18438 4391 1 10 . 1 1 58 58 GLN C C 58 177.154 177.154 177.350 -0.196 18438 4392 1 10 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.384 0.436 18438 4393 1 10 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.754 -0.554 18438 4394 1 10 . 1 1 58 58 GLN H H 58 8.078 8.078 7.627 0.451 18438 4395 1 10 . 1 1 59 59 ASN N N 59 114.176 114.176 116.153 -1.977 18438 4396 1 10 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.772 0.107 18438 4397 1 10 . 1 1 59 59 ASN C C 59 175.122 175.122 174.190 0.932 18438 4398 1 10 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.972 -2.392 18438 4399 1 10 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.000 -1.304 18438 4400 1 10 . 1 1 59 59 ASN H H 59 7.704 7.704 7.875 -0.171 18438 4401 1 10 . 1 1 60 60 ASP N N 60 113.376 113.376 114.389 -1.013 18438 4402 1 10 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.330 0.133 18438 4403 1 10 . 1 1 60 60 ASP C C 60 175.279 175.279 176.504 -1.225 18438 4404 1 10 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.723 0.349 18438 4405 1 10 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.441 0.468 18438 4406 1 10 . 1 1 60 60 ASP H H 60 7.900 7.900 7.508 0.392 18438 4407 1 10 . 1 1 61 61 THR N N 61 117.382 117.382 113.386 3.996 18438 4408 1 10 . 1 1 61 61 THR HA H 61 4.097 4.097 4.380 -0.283 18438 4409 1 10 . 1 1 61 61 THR C C 61 174.966 174.966 174.327 0.639 18438 4410 1 10 . 1 1 61 61 THR CA C 61 67.141 67.141 66.099 1.042 18438 4411 1 10 . 1 1 61 61 THR CB C 61 68.143 68.143 70.004 -1.861 18438 4412 1 10 . 1 1 61 61 THR H H 61 8.776 8.776 8.362 0.414 18438 4413 1 10 . 1 1 62 62 LEU N N 62 118.406 118.406 120.462 -2.056 18438 4414 1 10 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.314 -0.151 18438 4415 1 10 . 1 1 62 62 LEU C C 62 175.122 175.122 175.789 -0.667 18438 4416 1 10 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.353 -1.512 18438 4417 1 10 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.122 0.343 18438 4418 1 10 . 1 1 62 62 LEU H H 62 7.653 7.653 7.514 0.139 18438 4419 1 10 . 1 1 63 63 LEU N N 63 119.075 119.075 122.363 -3.288 18438 4420 1 10 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.753 -0.103 18438 4421 1 10 . 1 1 63 63 LEU C C 63 175.904 175.904 175.960 -0.056 18438 4422 1 10 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.791 -0.767 18438 4423 1 10 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.020 0.021 18438 4424 1 10 . 1 1 63 63 LEU H H 63 9.145 9.145 8.814 0.331 18438 4425 1 10 . 1 1 64 64 GLN N N 64 123.978 123.978 125.182 -1.204 18438 4426 1 10 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.541 0.035 18438 4427 1 10 . 1 1 64 64 GLN C C 64 175.435 175.435 175.790 -0.355 18438 4428 1 10 . 1 1 64 64 GLN CA C 64 55.026 55.026 56.048 -1.022 18438 4429 1 10 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.093 1.163 18438 4430 1 10 . 1 1 64 64 GLN H H 64 8.995 8.995 8.875 0.120 18438 4431 1 10 . 1 1 65 65 VAL N N 65 126.750 126.750 123.521 3.229 18438 4432 1 10 . 1 1 65 65 VAL HA H 65 4.025 4.025 3.878 0.147 18438 4433 1 10 . 1 1 65 65 VAL C C 65 175.747 175.747 175.930 -0.183 18438 4434 1 10 . 1 1 65 65 VAL CA C 65 61.920 61.920 63.478 -1.558 18438 4435 1 10 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.775 0.727 18438 4436 1 10 . 1 1 65 65 VAL H H 65 8.520 8.520 8.739 -0.219 18438 4437 1 10 . 1 1 66 66 LYS N N 66 124.150 124.150 116.199 7.951 18438 4438 1 10 . 1 1 66 66 LYS HA H 66 4.212 4.212 3.993 0.219 18438 4439 1 10 . 1 1 66 66 LYS C C 66 176.607 176.607 176.475 0.132 18438 4440 1 10 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.498 0.278 18438 4441 1 10 . 1 1 66 66 LYS CB C 66 33.019 33.019 31.152 1.867 18438 4442 1 10 . 1 1 66 66 LYS H H 66 8.311 8.311 7.346 0.965 18438 4443 1 10 . 1 1 67 67 GLY N N 67 109.952 109.952 109.199 0.753 18438 4444 1 10 . 1 1 67 67 GLY C C 67 173.716 173.716 174.707 -0.991 18438 4445 1 10 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.656 -0.754 18438 4446 1 10 . 1 1 67 67 GLY H H 67 8.401 8.401 8.474 -0.073 18438 4447 1 10 . 1 1 68 68 THR N N 68 111.619 111.619 117.116 -5.497 18438 4448 1 10 . 1 1 68 68 THR HA H 68 4.399 4.399 4.289 0.110 18438 4449 1 10 . 1 1 68 68 THR C C 68 175.279 175.279 175.642 -0.363 18438 4450 1 10 . 1 1 68 68 THR CA C 68 61.243 61.243 61.288 -0.045 18438 4451 1 10 . 1 1 68 68 THR CB C 68 69.860 69.860 69.291 0.569 18438 4452 1 10 . 1 1 68 68 THR H H 68 8.032 8.032 7.928 0.104 18438 4453 1 10 . 1 1 69 69 GLY N N 69 111.951 111.951 110.473 1.478 18438 4454 1 10 . 1 1 69 69 GLY C C 69 174.572 174.572 173.946 0.626 18438 4455 1 10 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.868 0.712 18438 4456 1 10 . 1 1 69 69 GLY H H 69 8.581 8.581 8.156 0.425 18438 4457 1 10 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.528 -0.226 18438 4458 1 10 . 1 1 70 70 ALA C C 70 177.774 177.774 176.046 1.728 18438 4459 1 10 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.033 2.028 18438 4460 1 10 . 1 1 70 70 ALA CB C 70 18.921 18.921 19.692 -0.771 18438 4461 1 10 . 1 1 71 71 ASN N N 71 115.782 115.782 116.238 -0.456 18438 4462 1 10 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.453 0.427 18438 4463 1 10 . 1 1 71 71 ASN C C 71 174.966 174.966 175.110 -0.144 18438 4464 1 10 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.386 -0.642 18438 4465 1 10 . 1 1 71 71 ASN CB C 71 39.217 39.217 38.456 0.760 18438 4466 1 10 . 1 1 71 71 ASN H H 71 8.151 8.151 7.926 0.225 18438 4467 1 10 . 1 1 72 72 GLY N N 72 107.783 107.783 108.403 -0.620 18438 4468 1 10 . 1 1 72 72 GLY C C 72 172.700 172.700 174.108 -1.408 18438 4469 1 10 . 1 1 72 72 GLY CA C 72 44.902 44.902 45.411 -0.509 18438 4470 1 10 . 1 1 72 72 GLY H H 72 8.051 8.051 8.501 -0.450 18438 4471 1 10 . 1 1 73 73 SER N N 73 114.063 114.063 121.856 -7.793 18438 4472 1 10 . 1 1 73 73 SER HA H 73 4.484 4.484 4.402 0.082 18438 4473 1 10 . 1 1 73 73 SER C C 73 172.480 172.480 172.703 -0.223 18438 4474 1 10 . 1 1 73 73 SER CA C 73 56.717 56.717 58.120 -1.403 18438 4475 1 10 . 1 1 73 73 SER CB C 73 65.043 65.043 64.944 0.099 18438 4476 1 10 . 1 1 73 73 SER H H 73 7.761 7.761 7.757 0.004 18438 4477 1 10 . 1 1 74 74 PHE N N 74 119.449 119.449 120.446 -0.997 18438 4478 1 10 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.539 -0.057 18438 4479 1 10 . 1 1 74 74 PHE C C 74 174.185 174.185 175.915 -1.730 18438 4480 1 10 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.705 0.756 18438 4481 1 10 . 1 1 74 74 PHE CB C 74 43.011 43.011 42.813 0.198 18438 4482 1 10 . 1 1 74 74 PHE H H 74 8.489 8.489 8.381 0.108 18438 4483 1 10 . 1 1 75 75 LYS N N 75 119.294 119.294 122.035 -2.741 18438 4484 1 10 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.803 0.156 18438 4485 1 10 . 1 1 75 75 LYS C C 75 175.669 175.669 174.953 0.716 18438 4486 1 10 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.215 -0.812 18438 4487 1 10 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.625 0.614 18438 4488 1 10 . 1 1 75 75 LYS H H 75 8.894 8.894 8.511 0.383 18438 4489 1 10 . 1 1 76 76 LEU N N 76 121.201 121.201 121.010 0.191 18438 4490 1 10 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.725 -0.353 18438 4491 1 10 . 1 1 76 76 LEU C C 76 177.075 177.075 177.599 -0.524 18438 4492 1 10 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.248 0.530 18438 4493 1 10 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.429 -0.788 18438 4494 1 10 . 1 1 76 76 LEU H H 76 9.023 9.023 8.601 0.422 18438 4495 1 10 . 1 1 77 77 ASN N N 77 120.222 120.222 122.617 -2.395 18438 4496 1 10 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.635 0.038 18438 4497 1 10 . 1 1 77 77 ASN C C 77 175.669 175.669 175.902 -0.233 18438 4498 1 10 . 1 1 77 77 ASN CA C 77 51.802 51.802 54.999 -3.197 18438 4499 1 10 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.964 -1.101 18438 4500 1 10 . 1 1 77 77 ASN H H 77 8.333 8.333 8.742 -0.409 18438 4501 1 10 . 1 1 78 78 ARG N N 78 125.225 125.225 119.243 5.982 18438 4502 1 10 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.546 -0.333 18438 4503 1 10 . 1 1 78 78 ARG C C 78 176.607 176.607 175.626 0.981 18438 4504 1 10 . 1 1 78 78 ARG CA C 78 57.376 57.376 55.558 1.818 18438 4505 1 10 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.049 -0.008 18438 4506 1 10 . 1 1 78 78 ARG H H 78 8.373 8.373 8.404 -0.031 18438 4507 1 10 . 1 1 79 79 LYS N N 79 119.831 119.831 120.370 -0.539 18438 4508 1 10 . 1 1 79 79 LYS HA H 79 4.205 4.205 3.855 0.350 18438 4509 1 10 . 1 1 79 79 LYS C C 79 177.075 177.075 177.051 0.024 18438 4510 1 10 . 1 1 79 79 LYS CA C 79 57.143 57.143 58.897 -1.754 18438 4511 1 10 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.714 0.627 18438 4512 1 10 . 1 1 79 79 LYS H H 79 8.095 8.095 8.779 -0.684 18438 4513 1 10 . 1 1 80 80 LYS N N 80 119.767 119.767 116.509 3.258 18438 4514 1 10 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.127 0.177 18438 4515 1 10 . 1 1 80 80 LYS C C 80 176.607 176.607 176.704 -0.097 18438 4516 1 10 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.222 -2.137 18438 4517 1 10 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.119 1.898 18438 4518 1 10 . 1 1 80 80 LYS H H 80 7.671 7.671 8.295 -0.624 18438 4519 1 10 . 1 1 81 81 LEU N N 81 121.868 121.868 119.773 2.095 18438 4520 1 10 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.128 0.229 18438 4521 1 10 . 1 1 81 81 LEU C C 81 177.214 177.214 178.493 -1.279 18438 4522 1 10 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.604 -2.233 18438 4523 1 10 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.659 0.828 18438 4524 1 10 . 1 1 81 81 LEU H H 81 7.996 7.996 7.475 0.521 18438 4525 1 10 . 1 1 82 82 GLU N N 82 120.499 120.499 118.375 2.124 18438 4526 1 10 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.285 0.057 18438 4527 1 10 . 1 1 82 82 GLU C C 82 175.875 175.875 176.826 -0.951 18438 4528 1 10 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.233 0.098 18438 4529 1 10 . 1 1 82 82 GLU CB C 82 30.322 30.322 29.900 0.422 18438 4530 1 10 . 1 1 82 82 GLU H H 82 8.262 8.262 8.472 -0.210 18438 4531 1 11 . 1 1 3 3 MET HA H 3 4.270 4.270 4.562 -0.292 18438 4532 1 11 . 1 1 3 3 MET C C 3 175.362 175.362 174.160 1.202 18438 4533 1 11 . 1 1 3 3 MET CA C 3 55.318 55.318 55.089 0.229 18438 4534 1 11 . 1 1 3 3 MET CB C 3 32.724 32.724 34.293 -1.569 18438 4535 1 11 . 1 1 4 4 GLN N N 4 122.983 122.983 125.492 -2.509 18438 4536 1 11 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.760 -0.197 18438 4537 1 11 . 1 1 4 4 GLN C C 4 173.835 173.835 174.324 -0.489 18438 4538 1 11 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.981 -0.460 18438 4539 1 11 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.077 -0.312 18438 4540 1 11 . 1 1 4 4 GLN H H 4 8.267 8.267 8.361 -0.094 18438 4541 1 11 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.405 -0.437 18438 4542 1 11 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.884 1.108 18438 4543 1 11 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.775 -0.079 18438 4544 1 11 . 1 1 6 6 GLY C C 6 175.512 175.512 175.487 0.025 18438 4545 1 11 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.415 1.621 18438 4546 1 11 . 1 1 7 7 LYS N N 7 121.187 121.187 118.779 2.408 18438 4547 1 11 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.035 0.117 18438 4548 1 11 . 1 1 7 7 LYS C C 7 179.107 179.107 178.086 1.021 18438 4549 1 11 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.590 0.365 18438 4550 1 11 . 1 1 7 7 LYS CB C 7 31.641 31.641 31.715 -0.074 18438 4551 1 11 . 1 1 7 7 LYS H H 7 7.788 7.788 8.562 -0.774 18438 4552 1 11 . 1 1 8 8 TYR N N 8 119.428 119.428 121.150 -1.722 18438 4553 1 11 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.681 -0.379 18438 4554 1 11 . 1 1 8 8 TYR C C 8 177.544 177.544 178.018 -0.474 18438 4555 1 11 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.537 2.063 18438 4556 1 11 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.017 0.153 18438 4557 1 11 . 1 1 8 8 TYR H H 8 8.197 8.197 8.031 0.166 18438 4558 1 11 . 1 1 9 9 SER N N 9 116.845 116.845 114.876 1.969 18438 4559 1 11 . 1 1 9 9 SER HA H 9 4.241 4.241 4.169 0.072 18438 4560 1 11 . 1 1 9 9 SER C C 9 175.982 175.982 176.600 -0.618 18438 4561 1 11 . 1 1 9 9 SER CA C 9 62.258 62.258 62.553 -0.295 18438 4562 1 11 . 1 1 9 9 SER CB C 9 62.254 62.254 62.946 -0.692 18438 4563 1 11 . 1 1 9 9 SER H H 9 8.279 8.279 7.959 0.320 18438 4564 1 11 . 1 1 10 10 GLN N N 10 120.862 120.862 120.330 0.532 18438 4565 1 11 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.092 -0.006 18438 4566 1 11 . 1 1 10 10 GLN C C 10 177.779 177.779 178.360 -0.581 18438 4567 1 11 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.647 0.095 18438 4568 1 11 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.552 -0.652 18438 4569 1 11 . 1 1 10 10 GLN H H 10 7.765 7.765 7.738 0.027 18438 4570 1 11 . 1 1 11 11 LEU N N 11 119.752 119.752 121.434 -1.682 18438 4571 1 11 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.160 0.234 18438 4572 1 11 . 1 1 11 11 LEU C C 11 180.357 180.357 178.444 1.913 18438 4573 1 11 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.983 -0.268 18438 4574 1 11 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.959 -0.021 18438 4575 1 11 . 1 1 11 11 LEU H H 11 7.805 7.805 7.860 -0.055 18438 4576 1 11 . 1 1 12 12 VAL N N 12 122.619 122.619 118.916 3.703 18438 4577 1 11 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.581 -0.250 18438 4578 1 11 . 1 1 12 12 VAL C C 12 176.841 176.841 177.954 -1.113 18438 4579 1 11 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.135 1.282 18438 4580 1 11 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.658 -0.339 18438 4581 1 11 . 1 1 12 12 VAL H H 12 8.355 8.355 7.749 0.606 18438 4582 1 11 . 1 1 13 13 VAL N N 13 118.472 118.472 119.778 -1.306 18438 4583 1 11 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.537 -0.143 18438 4584 1 11 . 1 1 13 13 VAL C C 13 177.622 177.622 178.179 -0.557 18438 4585 1 11 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.063 0.704 18438 4586 1 11 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.422 0.482 18438 4587 1 11 . 1 1 13 13 VAL H H 13 7.636 7.636 7.651 -0.015 18438 4588 1 11 . 1 1 14 14 GLU N N 14 117.137 117.137 118.901 -1.764 18438 4589 1 11 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.112 -0.038 18438 4590 1 11 . 1 1 14 14 GLU C C 14 179.576 179.576 179.229 0.347 18438 4591 1 11 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.601 -0.772 18438 4592 1 11 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.280 0.120 18438 4593 1 11 . 1 1 14 14 GLU H H 14 8.642 8.642 8.130 0.512 18438 4594 1 11 . 1 1 15 15 THR N N 15 116.678 116.678 117.419 -0.741 18438 4595 1 11 . 1 1 15 15 THR HA H 15 3.859 3.859 4.003 -0.144 18438 4596 1 11 . 1 1 15 15 THR C C 15 175.669 175.669 176.637 -0.968 18438 4597 1 11 . 1 1 15 15 THR CA C 15 67.743 67.743 67.428 0.315 18438 4598 1 11 . 1 1 15 15 THR CB C 15 67.761 67.761 68.718 -0.957 18438 4599 1 11 . 1 1 15 15 THR H H 15 8.354 8.354 8.092 0.262 18438 4600 1 11 . 1 1 16 16 ILE N N 16 121.241 121.241 120.969 0.272 18438 4601 1 11 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.669 -0.165 18438 4602 1 11 . 1 1 16 16 ILE C C 16 179.576 179.576 177.416 2.160 18438 4603 1 11 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.559 1.294 18438 4604 1 11 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.586 0.622 18438 4605 1 11 . 1 1 16 16 ILE H H 16 8.342 8.342 7.998 0.344 18438 4606 1 11 . 1 1 17 17 ARG N N 17 120.540 120.540 120.485 0.055 18438 4607 1 11 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.016 -0.034 18438 4608 1 11 . 1 1 17 17 ARG C C 17 178.482 178.482 178.925 -0.443 18438 4609 1 11 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.694 -0.167 18438 4610 1 11 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.153 0.149 18438 4611 1 11 . 1 1 17 17 ARG H H 17 8.496 8.496 7.774 0.722 18438 4612 1 11 . 1 1 18 18 ARG N N 18 118.955 118.955 118.324 0.631 18438 4613 1 11 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.155 -0.165 18438 4614 1 11 . 1 1 18 18 ARG C C 18 178.794 178.794 178.541 0.253 18438 4615 1 11 . 1 1 18 18 ARG CA C 18 59.015 59.015 57.897 1.118 18438 4616 1 11 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.684 0.427 18438 4617 1 11 . 1 1 18 18 ARG H H 18 8.257 8.257 8.230 0.027 18438 4618 1 11 . 1 1 19 19 LEU N N 19 118.486 118.486 117.187 1.299 18438 4619 1 11 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.303 -0.250 18438 4620 1 11 . 1 1 19 19 LEU C C 19 179.419 179.419 178.000 1.419 18438 4621 1 11 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.438 1.664 18438 4622 1 11 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.369 -0.073 18438 4623 1 11 . 1 1 19 19 LEU H H 19 8.179 8.179 7.835 0.344 18438 4624 1 11 . 1 1 20 20 GLY N N 20 104.303 104.303 106.062 -1.759 18438 4625 1 11 . 1 1 20 20 GLY C C 20 175.200 175.200 174.887 0.313 18438 4626 1 11 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.002 2.482 18438 4627 1 11 . 1 1 20 20 GLY H H 20 7.520 7.520 7.621 -0.101 18438 4628 1 11 . 1 1 21 21 GLU N N 21 118.725 118.725 121.121 -2.396 18438 4629 1 11 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.200 0.020 18438 4630 1 11 . 1 1 21 21 GLU C C 21 179.280 179.280 176.738 2.542 18438 4631 1 11 . 1 1 21 21 GLU CA C 21 57.569 57.569 55.917 1.652 18438 4632 1 11 . 1 1 21 21 GLU CB C 21 29.980 29.980 28.241 1.739 18438 4633 1 11 . 1 1 21 21 GLU H H 21 8.674 8.674 8.069 0.605 18438 4634 1 11 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.180 -0.175 18438 4635 1 11 . 1 1 22 22 ARG C C 22 177.150 177.150 176.616 0.534 18438 4636 1 11 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.364 1.103 18438 4637 1 11 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.558 -0.605 18438 4638 1 11 . 1 1 23 23 ASN N N 23 114.707 114.707 116.463 -1.756 18438 4639 1 11 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.629 0.369 18438 4640 1 11 . 1 1 23 23 ASN C C 23 174.888 174.888 174.981 -0.093 18438 4641 1 11 . 1 1 23 23 ASN CA C 23 51.900 51.900 54.013 -2.113 18438 4642 1 11 . 1 1 23 23 ASN CB C 23 38.504 38.504 39.659 -1.155 18438 4643 1 11 . 1 1 23 23 ASN H H 23 8.662 8.662 8.430 0.232 18438 4644 1 11 . 1 1 24 24 GLY N N 24 104.147 104.147 105.586 -1.439 18438 4645 1 11 . 1 1 24 24 GLY C C 24 172.075 172.075 172.525 -0.450 18438 4646 1 11 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.508 0.192 18438 4647 1 11 . 1 1 24 24 GLY H H 24 7.130 7.130 7.649 -0.519 18438 4648 1 11 . 1 1 25 25 SER N N 25 113.134 113.134 118.571 -5.437 18438 4649 1 11 . 1 1 25 25 SER HA H 25 5.329 5.329 4.948 0.381 18438 4650 1 11 . 1 1 25 25 SER C C 25 173.716 173.716 175.241 -1.525 18438 4651 1 11 . 1 1 25 25 SER CA C 25 57.259 57.259 56.087 1.172 18438 4652 1 11 . 1 1 25 25 SER CB C 25 66.600 66.600 64.797 1.803 18438 4653 1 11 . 1 1 25 25 SER H H 25 8.661 8.661 8.577 0.084 18438 4654 1 11 . 1 1 26 26 SER N N 26 121.159 121.159 123.979 -2.820 18438 4655 1 11 . 1 1 26 26 SER HA H 26 4.962 4.962 4.448 0.514 18438 4656 1 11 . 1 1 26 26 SER C C 26 174.732 174.732 175.904 -1.172 18438 4657 1 11 . 1 1 26 26 SER CA C 26 56.600 56.600 58.398 -1.798 18438 4658 1 11 . 1 1 26 26 SER CB C 26 65.369 65.369 63.927 1.442 18438 4659 1 11 . 1 1 26 26 SER H H 26 8.841 8.841 9.016 -0.175 18438 4660 1 11 . 1 1 27 27 LEU N N 27 121.372 121.372 126.906 -5.534 18438 4661 1 11 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.256 -0.151 18438 4662 1 11 . 1 1 27 27 LEU C C 27 177.935 177.935 177.692 0.243 18438 4663 1 11 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.010 0.818 18438 4664 1 11 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.996 -1.055 18438 4665 1 11 . 1 1 27 27 LEU H H 27 9.303 9.303 8.379 0.924 18438 4666 1 11 . 1 1 28 28 ALA N N 28 119.606 119.606 121.026 -1.420 18438 4667 1 11 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.052 0.110 18438 4668 1 11 . 1 1 28 28 ALA C C 28 180.279 180.279 179.297 0.982 18438 4669 1 11 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.275 0.450 18438 4670 1 11 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.023 0.224 18438 4671 1 11 . 1 1 28 28 ALA H H 28 8.509 8.509 7.591 0.918 18438 4672 1 11 . 1 1 29 29 LYS N N 29 120.138 120.138 118.951 1.187 18438 4673 1 11 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.125 0.004 18438 4674 1 11 . 1 1 29 29 LYS C C 29 178.950 178.950 178.639 0.311 18438 4675 1 11 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.256 0.329 18438 4676 1 11 . 1 1 29 29 LYS CB C 29 32.483 32.483 31.835 0.648 18438 4677 1 11 . 1 1 29 29 LYS H H 29 7.873 7.873 7.731 0.142 18438 4678 1 11 . 1 1 30 30 ILE N N 30 119.535 119.535 120.003 -0.468 18438 4679 1 11 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.709 -0.204 18438 4680 1 11 . 1 1 30 30 ILE C C 30 177.466 177.466 177.867 -0.401 18438 4681 1 11 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.419 -0.058 18438 4682 1 11 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.160 0.462 18438 4683 1 11 . 1 1 30 30 ILE H H 30 8.505 8.505 8.251 0.254 18438 4684 1 11 . 1 1 31 31 TYR N N 31 119.439 119.439 120.868 -1.429 18438 4685 1 11 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.038 -0.070 18438 4686 1 11 . 1 1 31 31 TYR C C 31 175.513 175.513 177.294 -1.781 18438 4687 1 11 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.556 -1.656 18438 4688 1 11 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.339 -0.400 18438 4689 1 11 . 1 1 31 31 TYR H H 31 9.231 9.231 8.241 0.990 18438 4690 1 11 . 1 1 32 32 THR N N 32 113.378 113.378 114.772 -1.394 18438 4691 1 11 . 1 1 32 32 THR HA H 32 3.314 3.314 3.898 -0.584 18438 4692 1 11 . 1 1 32 32 THR C C 32 175.435 175.435 176.039 -0.604 18438 4693 1 11 . 1 1 32 32 THR CA C 32 66.900 66.900 66.165 0.735 18438 4694 1 11 . 1 1 32 32 THR CB C 32 68.631 68.631 68.565 0.066 18438 4695 1 11 . 1 1 32 32 THR H H 32 7.936 7.936 7.876 0.060 18438 4696 1 11 . 1 1 33 33 GLU N N 33 117.565 117.565 119.378 -1.813 18438 4697 1 11 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.178 -0.128 18438 4698 1 11 . 1 1 33 33 GLU C C 33 178.716 178.716 178.065 0.651 18438 4699 1 11 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.952 -0.752 18438 4700 1 11 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.281 0.682 18438 4701 1 11 . 1 1 33 33 GLU H H 33 7.359 7.359 7.688 -0.329 18438 4702 1 11 . 1 1 34 34 ALA N N 34 124.323 124.323 122.589 1.734 18438 4703 1 11 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.805 -0.176 18438 4704 1 11 . 1 1 34 34 ALA C C 34 177.232 177.232 177.736 -0.504 18438 4705 1 11 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.202 0.452 18438 4706 1 11 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.418 -0.127 18438 4707 1 11 . 1 1 34 34 ALA H H 34 8.940 8.940 7.514 1.426 18438 4708 1 11 . 1 1 35 35 LYS N N 35 110.920 110.920 113.997 -3.077 18438 4709 1 11 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.440 -0.661 18438 4710 1 11 . 1 1 35 35 LYS C C 35 176.060 176.060 177.003 -0.943 18438 4711 1 11 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.120 -0.416 18438 4712 1 11 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.294 -0.496 18438 4713 1 11 . 1 1 35 35 LYS H H 35 7.277 7.277 7.409 -0.132 18438 4714 1 11 . 1 1 36 36 LYS N N 36 116.850 116.850 117.734 -0.884 18438 4715 1 11 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.155 -0.235 18438 4716 1 11 . 1 1 36 36 LYS C C 36 177.544 177.544 176.812 0.732 18438 4717 1 11 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.427 0.356 18438 4718 1 11 . 1 1 36 36 LYS CB C 36 33.044 33.044 33.220 -0.176 18438 4719 1 11 . 1 1 36 36 LYS H H 36 6.808 6.808 7.112 -0.304 18438 4720 1 11 . 1 1 37 37 VAL N N 37 120.331 120.331 119.718 0.613 18438 4721 1 11 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.160 -0.016 18438 4722 1 11 . 1 1 37 37 VAL C C 37 177.134 177.134 175.674 1.460 18438 4723 1 11 . 1 1 37 37 VAL CA C 37 60.228 60.228 59.500 0.728 18438 4724 1 11 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.747 0.314 18438 4725 1 11 . 1 1 37 37 VAL H H 37 7.413 7.413 6.872 0.541 18438 4726 1 11 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.261 0.045 18438 4727 1 11 . 1 1 38 38 PRO C C 38 176.763 176.763 176.703 0.060 18438 4728 1 11 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.992 0.428 18438 4729 1 11 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.893 0.068 18438 4730 1 11 . 1 1 39 39 TRP N N 39 110.211 110.211 114.498 -4.287 18438 4731 1 11 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.685 0.039 18438 4732 1 11 . 1 1 39 39 TRP C C 39 176.216 176.216 175.755 0.461 18438 4733 1 11 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.391 -1.891 18438 4734 1 11 . 1 1 39 39 TRP CB C 39 28.927 28.927 29.030 -0.103 18438 4735 1 11 . 1 1 39 39 TRP H H 39 6.356 6.356 7.351 -0.995 18438 4736 1 11 . 1 1 40 40 PHE N N 40 124.624 124.624 123.489 1.135 18438 4737 1 11 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.124 -0.428 18438 4738 1 11 . 1 1 40 40 PHE C C 40 174.966 174.966 175.576 -0.610 18438 4739 1 11 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.652 1.556 18438 4740 1 11 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.654 0.124 18438 4741 1 11 . 1 1 40 40 PHE H H 40 7.282 7.282 7.031 0.251 18438 4742 1 11 . 1 1 41 41 ASP N N 41 127.204 127.204 127.590 -0.386 18438 4743 1 11 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.775 -0.133 18438 4744 1 11 . 1 1 41 41 ASP C C 41 175.904 175.904 175.997 -0.093 18438 4745 1 11 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.131 0.198 18438 4746 1 11 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.984 -1.704 18438 4747 1 11 . 1 1 41 41 ASP H H 41 7.038 7.038 8.004 -0.966 18438 4748 1 11 . 1 1 42 42 GLN N N 42 125.531 125.531 123.853 1.678 18438 4749 1 11 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.423 -0.246 18438 4750 1 11 . 1 1 42 42 GLN C C 42 178.169 178.169 176.778 1.391 18438 4751 1 11 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.487 0.472 18438 4752 1 11 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.823 -1.301 18438 4753 1 11 . 1 1 42 42 GLN H H 42 9.072 9.072 8.827 0.245 18438 4754 1 11 . 1 1 43 43 GLN N N 43 118.221 118.221 117.683 0.538 18438 4755 1 11 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.378 -0.051 18438 4756 1 11 . 1 1 43 43 GLN C C 43 177.154 177.154 177.577 -0.423 18438 4757 1 11 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.342 0.799 18438 4758 1 11 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.936 -0.682 18438 4759 1 11 . 1 1 43 43 GLN H H 43 8.356 8.356 7.675 0.681 18438 4760 1 11 . 1 1 44 44 ASN N N 44 115.402 115.402 116.068 -0.666 18438 4761 1 11 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.534 0.197 18438 4762 1 11 . 1 1 44 44 ASN C C 44 175.200 175.200 176.589 -1.389 18438 4763 1 11 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.187 -1.587 18438 4764 1 11 . 1 1 44 44 ASN CB C 44 41.059 41.059 39.262 1.797 18438 4765 1 11 . 1 1 44 44 ASN H H 44 8.163 8.163 8.435 -0.272 18438 4766 1 11 . 1 1 45 45 GLY N N 45 109.680 109.680 108.655 1.025 18438 4767 1 11 . 1 1 45 45 GLY C C 45 175.200 175.200 175.515 -0.315 18438 4768 1 11 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.614 1.586 18438 4769 1 11 . 1 1 45 45 GLY H H 45 8.094 8.094 7.949 0.145 18438 4770 1 11 . 1 1 46 46 ARG N N 46 121.367 121.367 119.814 1.553 18438 4771 1 11 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.407 -0.518 18438 4772 1 11 . 1 1 46 46 ARG C C 46 178.091 178.091 177.712 0.379 18438 4773 1 11 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.823 1.047 18438 4774 1 11 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.802 -0.518 18438 4775 1 11 . 1 1 46 46 ARG H H 46 8.893 8.893 8.341 0.552 18438 4776 1 11 . 1 1 47 47 THR N N 47 116.630 116.630 116.979 -0.349 18438 4777 1 11 . 1 1 47 47 THR HA H 47 3.668 3.668 4.058 -0.390 18438 4778 1 11 . 1 1 47 47 THR C C 47 176.060 176.060 176.854 -0.794 18438 4779 1 11 . 1 1 47 47 THR CA C 47 66.345 66.345 67.485 -1.140 18438 4780 1 11 . 1 1 47 47 THR CB C 47 67.794 67.794 68.025 -0.231 18438 4781 1 11 . 1 1 47 47 THR H H 47 7.397 7.397 7.515 -0.118 18438 4782 1 11 . 1 1 48 48 TYR N N 48 120.826 120.826 120.053 0.773 18438 4783 1 11 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.306 0.107 18438 4784 1 11 . 1 1 48 48 TYR C C 48 180.279 180.279 178.200 2.079 18438 4785 1 11 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.496 -1.577 18438 4786 1 11 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.739 -1.639 18438 4787 1 11 . 1 1 48 48 TYR H H 48 7.529 7.529 7.479 0.050 18438 4788 1 11 . 1 1 49 49 LEU N N 49 120.670 120.670 121.127 -0.457 18438 4789 1 11 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.076 -0.013 18438 4790 1 11 . 1 1 49 49 LEU C C 49 178.091 178.091 178.810 -0.719 18438 4791 1 11 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.103 0.156 18438 4792 1 11 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.710 0.549 18438 4793 1 11 . 1 1 49 49 LEU H H 49 8.847 8.847 8.338 0.509 18438 4794 1 11 . 1 1 50 50 LYS N N 50 119.596 119.596 119.615 -0.019 18438 4795 1 11 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.807 -0.037 18438 4796 1 11 . 1 1 50 50 LYS C C 50 179.263 179.263 179.025 0.238 18438 4797 1 11 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.657 0.980 18438 4798 1 11 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.271 -0.273 18438 4799 1 11 . 1 1 50 50 LYS H H 50 8.001 8.001 7.993 0.008 18438 4800 1 11 . 1 1 51 51 TYR N N 51 118.606 118.606 118.327 0.279 18438 4801 1 11 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.302 -0.003 18438 4802 1 11 . 1 1 51 51 TYR C C 51 179.107 179.107 178.357 0.750 18438 4803 1 11 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.543 -1.305 18438 4804 1 11 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.476 -1.139 18438 4805 1 11 . 1 1 51 51 TYR H H 51 8.274 8.274 8.107 0.167 18438 4806 1 11 . 1 1 52 52 SER N N 52 117.699 117.699 116.936 0.763 18438 4807 1 11 . 1 1 52 52 SER HA H 52 4.227 4.227 4.183 0.044 18438 4808 1 11 . 1 1 52 52 SER C C 52 175.669 175.669 176.436 -0.767 18438 4809 1 11 . 1 1 52 52 SER CA C 52 63.312 63.312 62.493 0.819 18438 4810 1 11 . 1 1 52 52 SER CB C 52 63.520 63.520 63.328 0.192 18438 4811 1 11 . 1 1 52 52 SER H H 52 8.303 8.303 8.024 0.279 18438 4812 1 11 . 1 1 53 53 ILE N N 53 121.571 121.571 122.620 -1.049 18438 4813 1 11 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.469 -0.188 18438 4814 1 11 . 1 1 53 53 ILE C C 53 176.685 176.685 177.162 -0.477 18438 4815 1 11 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.703 0.336 18438 4816 1 11 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.540 -0.018 18438 4817 1 11 . 1 1 53 53 ILE H H 53 8.543 8.543 8.280 0.263 18438 4818 1 11 . 1 1 54 54 LYS N N 54 117.799 117.799 119.751 -1.952 18438 4819 1 11 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.836 0.041 18438 4820 1 11 . 1 1 54 54 LYS C C 54 179.107 179.107 178.806 0.301 18438 4821 1 11 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.673 0.179 18438 4822 1 11 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.262 -0.248 18438 4823 1 11 . 1 1 54 54 LYS H H 54 7.572 7.572 7.929 -0.357 18438 4824 1 11 . 1 1 55 55 ALA N N 55 121.284 121.284 121.986 -0.702 18438 4825 1 11 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.147 -0.032 18438 4826 1 11 . 1 1 55 55 ALA C C 55 180.201 180.201 179.960 0.241 18438 4827 1 11 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.967 0.030 18438 4828 1 11 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.310 -0.390 18438 4829 1 11 . 1 1 55 55 ALA H H 55 7.669 7.669 7.723 -0.054 18438 4830 1 11 . 1 1 56 56 LEU N N 56 119.236 119.236 118.608 0.628 18438 4831 1 11 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.058 0.362 18438 4832 1 11 . 1 1 56 56 LEU C C 56 179.966 179.966 178.912 1.054 18438 4833 1 11 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.336 -1.242 18438 4834 1 11 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.681 0.680 18438 4835 1 11 . 1 1 56 56 LEU H H 56 8.302 8.302 7.816 0.486 18438 4836 1 11 . 1 1 57 57 VAL N N 57 122.357 122.357 119.918 2.439 18438 4837 1 11 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.025 0.342 18438 4838 1 11 . 1 1 57 57 VAL C C 57 180.669 180.669 178.757 1.912 18438 4839 1 11 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.806 -0.700 18438 4840 1 11 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.655 0.351 18438 4841 1 11 . 1 1 57 57 VAL H H 57 8.555 8.555 8.142 0.413 18438 4842 1 11 . 1 1 58 58 GLN N N 58 120.472 120.472 119.292 1.180 18438 4843 1 11 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.105 0.020 18438 4844 1 11 . 1 1 58 58 GLN C C 58 177.154 177.154 177.584 -0.430 18438 4845 1 11 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.415 0.405 18438 4846 1 11 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.597 -0.397 18438 4847 1 11 . 1 1 58 58 GLN H H 58 8.078 8.078 7.796 0.282 18438 4848 1 11 . 1 1 59 59 ASN N N 59 114.176 114.176 115.826 -1.650 18438 4849 1 11 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.767 0.112 18438 4850 1 11 . 1 1 59 59 ASN C C 59 175.122 175.122 174.204 0.918 18438 4851 1 11 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.976 -2.396 18438 4852 1 11 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.776 -1.080 18438 4853 1 11 . 1 1 59 59 ASN H H 59 7.704 7.704 7.772 -0.068 18438 4854 1 11 . 1 1 60 60 ASP N N 60 113.376 113.376 116.044 -2.668 18438 4855 1 11 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.316 0.147 18438 4856 1 11 . 1 1 60 60 ASP C C 60 175.279 175.279 176.211 -0.932 18438 4857 1 11 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.614 0.458 18438 4858 1 11 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.232 0.677 18438 4859 1 11 . 1 1 60 60 ASP H H 60 7.900 7.900 7.732 0.168 18438 4860 1 11 . 1 1 61 61 THR N N 61 117.382 117.382 113.190 4.192 18438 4861 1 11 . 1 1 61 61 THR HA H 61 4.097 4.097 4.291 -0.194 18438 4862 1 11 . 1 1 61 61 THR C C 61 174.966 174.966 174.373 0.593 18438 4863 1 11 . 1 1 61 61 THR CA C 61 67.141 67.141 65.802 1.339 18438 4864 1 11 . 1 1 61 61 THR CB C 61 68.143 68.143 69.803 -1.660 18438 4865 1 11 . 1 1 61 61 THR H H 61 8.776 8.776 8.373 0.403 18438 4866 1 11 . 1 1 62 62 LEU N N 62 118.406 118.406 120.411 -2.005 18438 4867 1 11 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.402 -0.239 18438 4868 1 11 . 1 1 62 62 LEU C C 62 175.122 175.122 175.574 -0.452 18438 4869 1 11 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.283 -1.442 18438 4870 1 11 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.766 -0.300 18438 4871 1 11 . 1 1 62 62 LEU H H 62 7.653 7.653 7.666 -0.013 18438 4872 1 11 . 1 1 63 63 LEU N N 63 119.075 119.075 121.344 -2.269 18438 4873 1 11 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.785 -0.135 18438 4874 1 11 . 1 1 63 63 LEU C C 63 175.904 175.904 175.771 0.133 18438 4875 1 11 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.676 -0.652 18438 4876 1 11 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.959 -0.918 18438 4877 1 11 . 1 1 63 63 LEU H H 63 9.145 9.145 8.734 0.411 18438 4878 1 11 . 1 1 64 64 GLN N N 64 123.978 123.978 123.998 -0.020 18438 4879 1 11 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.424 0.152 18438 4880 1 11 . 1 1 64 64 GLN C C 64 175.435 175.435 175.058 0.377 18438 4881 1 11 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.900 -0.874 18438 4882 1 11 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.675 0.581 18438 4883 1 11 . 1 1 64 64 GLN H H 64 8.995 8.995 8.763 0.232 18438 4884 1 11 . 1 1 65 65 VAL N N 65 126.750 126.750 128.411 -1.661 18438 4885 1 11 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.268 -0.243 18438 4886 1 11 . 1 1 65 65 VAL C C 65 175.747 175.747 174.248 1.499 18438 4887 1 11 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.091 0.829 18438 4888 1 11 . 1 1 65 65 VAL CB C 65 32.502 32.502 32.903 -0.401 18438 4889 1 11 . 1 1 65 65 VAL H H 65 8.520 8.520 8.702 -0.182 18438 4890 1 11 . 1 1 66 66 LYS N N 66 124.150 124.150 125.719 -1.569 18438 4891 1 11 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.917 -0.705 18438 4892 1 11 . 1 1 66 66 LYS C C 66 176.607 176.607 177.464 -0.857 18438 4893 1 11 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.097 1.679 18438 4894 1 11 . 1 1 66 66 LYS CB C 66 33.019 33.019 32.791 0.229 18438 4895 1 11 . 1 1 66 66 LYS H H 66 8.311 8.311 8.525 -0.214 18438 4896 1 11 . 1 1 67 67 GLY N N 67 109.952 109.952 114.852 -4.900 18438 4897 1 11 . 1 1 67 67 GLY C C 67 173.716 173.716 174.817 -1.101 18438 4898 1 11 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.713 -0.811 18438 4899 1 11 . 1 1 67 67 GLY H H 67 8.401 8.401 8.445 -0.044 18438 4900 1 11 . 1 1 68 68 THR N N 68 111.619 111.619 112.320 -0.701 18438 4901 1 11 . 1 1 68 68 THR HA H 68 4.399 4.399 4.515 -0.116 18438 4902 1 11 . 1 1 68 68 THR C C 68 175.279 175.279 175.305 -0.026 18438 4903 1 11 . 1 1 68 68 THR CA C 68 61.243 61.243 58.971 2.272 18438 4904 1 11 . 1 1 68 68 THR CB C 68 69.860 69.860 69.467 0.393 18438 4905 1 11 . 1 1 68 68 THR H H 68 8.032 8.032 7.830 0.202 18438 4906 1 11 . 1 1 69 69 GLY N N 69 111.951 111.951 108.523 3.428 18438 4907 1 11 . 1 1 69 69 GLY C C 69 174.572 174.572 172.789 1.783 18438 4908 1 11 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.982 0.598 18438 4909 1 11 . 1 1 69 69 GLY H H 69 8.581 8.581 7.824 0.757 18438 4910 1 11 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.803 -0.501 18438 4911 1 11 . 1 1 70 70 ALA C C 70 177.774 177.774 176.666 1.108 18438 4912 1 11 . 1 1 70 70 ALA CA C 70 53.061 53.061 50.944 2.118 18438 4913 1 11 . 1 1 70 70 ALA CB C 70 18.921 18.921 20.795 -1.874 18438 4914 1 11 . 1 1 71 71 ASN N N 71 115.782 115.782 119.122 -3.340 18438 4915 1 11 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.427 0.453 18438 4916 1 11 . 1 1 71 71 ASN C C 71 174.966 174.966 175.702 -0.736 18438 4917 1 11 . 1 1 71 71 ASN CA C 71 52.744 52.744 55.286 -2.542 18438 4918 1 11 . 1 1 71 71 ASN CB C 71 39.217 39.217 38.199 1.018 18438 4919 1 11 . 1 1 71 71 ASN H H 71 8.151 8.151 8.668 -0.517 18438 4920 1 11 . 1 1 72 72 GLY N N 72 107.783 107.783 107.473 0.310 18438 4921 1 11 . 1 1 72 72 GLY C C 72 172.700 172.700 172.444 0.256 18438 4922 1 11 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.004 0.898 18438 4923 1 11 . 1 1 72 72 GLY H H 72 8.051 8.051 7.993 0.058 18438 4924 1 11 . 1 1 73 73 SER N N 73 114.063 114.063 119.590 -5.527 18438 4925 1 11 . 1 1 73 73 SER HA H 73 4.484 4.484 4.892 -0.408 18438 4926 1 11 . 1 1 73 73 SER C C 73 172.480 172.480 172.580 -0.100 18438 4927 1 11 . 1 1 73 73 SER CA C 73 56.717 56.717 56.957 -0.240 18438 4928 1 11 . 1 1 73 73 SER CB C 73 65.043 65.043 65.729 -0.686 18438 4929 1 11 . 1 1 73 73 SER H H 73 7.761 7.761 7.974 -0.213 18438 4930 1 11 . 1 1 74 74 PHE N N 74 119.449 119.449 119.282 0.167 18438 4931 1 11 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.713 -0.231 18438 4932 1 11 . 1 1 74 74 PHE C C 74 174.185 174.185 174.734 -0.549 18438 4933 1 11 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.643 0.818 18438 4934 1 11 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.762 -0.751 18438 4935 1 11 . 1 1 74 74 PHE H H 74 8.489 8.489 8.789 -0.300 18438 4936 1 11 . 1 1 75 75 LYS N N 75 119.294 119.294 119.607 -0.313 18438 4937 1 11 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.838 0.121 18438 4938 1 11 . 1 1 75 75 LYS C C 75 175.669 175.669 174.589 1.080 18438 4939 1 11 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.689 -1.285 18438 4940 1 11 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.332 0.907 18438 4941 1 11 . 1 1 75 75 LYS H H 75 8.894 8.894 8.381 0.513 18438 4942 1 11 . 1 1 76 76 LEU N N 76 121.201 121.201 121.000 0.201 18438 4943 1 11 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.644 -0.272 18438 4944 1 11 . 1 1 76 76 LEU C C 76 177.075 177.075 177.276 -0.201 18438 4945 1 11 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.900 0.878 18438 4946 1 11 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.270 -0.629 18438 4947 1 11 . 1 1 76 76 LEU H H 76 9.023 9.023 8.711 0.312 18438 4948 1 11 . 1 1 77 77 ASN N N 77 120.222 120.222 121.027 -0.805 18438 4949 1 11 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.768 -0.095 18438 4950 1 11 . 1 1 77 77 ASN C C 77 175.669 175.669 175.345 0.324 18438 4951 1 11 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.098 -1.296 18438 4952 1 11 . 1 1 77 77 ASN CB C 77 37.863 37.863 39.101 -1.238 18438 4953 1 11 . 1 1 77 77 ASN H H 77 8.333 8.333 8.318 0.015 18438 4954 1 11 . 1 1 78 78 ARG N N 78 125.225 125.225 122.923 2.302 18438 4955 1 11 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.228 -0.015 18438 4956 1 11 . 1 1 78 78 ARG C C 78 176.607 176.607 176.786 -0.179 18438 4957 1 11 . 1 1 78 78 ARG CA C 78 57.376 57.376 57.968 -0.592 18438 4958 1 11 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.401 -0.360 18438 4959 1 11 . 1 1 78 78 ARG H H 78 8.373 8.373 8.703 -0.330 18438 4960 1 11 . 1 1 79 79 LYS N N 79 119.831 119.831 118.413 1.418 18438 4961 1 11 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.458 -0.253 18438 4962 1 11 . 1 1 79 79 LYS C C 79 177.075 177.075 176.281 0.794 18438 4963 1 11 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.180 0.963 18438 4964 1 11 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.711 0.630 18438 4965 1 11 . 1 1 79 79 LYS H H 79 8.095 8.095 8.430 -0.335 18438 4966 1 11 . 1 1 80 80 LYS N N 80 119.767 119.767 118.384 1.383 18438 4967 1 11 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.246 0.058 18438 4968 1 11 . 1 1 80 80 LYS C C 80 176.607 176.607 177.292 -0.685 18438 4969 1 11 . 1 1 80 80 LYS CA C 80 56.085 56.085 57.519 -1.434 18438 4970 1 11 . 1 1 80 80 LYS CB C 80 33.017 33.017 30.755 2.263 18438 4971 1 11 . 1 1 80 80 LYS H H 80 7.671 7.671 7.989 -0.318 18438 4972 1 11 . 1 1 81 81 LEU N N 81 121.868 121.868 119.142 2.726 18438 4973 1 11 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.161 0.196 18438 4974 1 11 . 1 1 81 81 LEU C C 81 177.214 177.214 178.083 -0.869 18438 4975 1 11 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.029 -1.658 18438 4976 1 11 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.398 0.089 18438 4977 1 11 . 1 1 81 81 LEU H H 81 7.996 7.996 7.926 0.070 18438 4978 1 11 . 1 1 82 82 GLU N N 82 120.499 120.499 115.771 4.728 18438 4979 1 11 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.442 -0.100 18438 4980 1 11 . 1 1 82 82 GLU C C 82 175.875 175.875 177.652 -1.777 18438 4981 1 11 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.361 -0.030 18438 4982 1 11 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.971 -0.649 18438 4983 1 11 . 1 1 82 82 GLU H H 82 8.262 8.262 7.874 0.388 18438 4984 1 12 . 1 1 3 3 MET HA H 3 4.270 4.270 4.549 -0.279 18438 4985 1 12 . 1 1 3 3 MET C C 3 175.362 175.362 175.932 -0.570 18438 4986 1 12 . 1 1 3 3 MET CA C 3 55.318 55.318 55.190 0.128 18438 4987 1 12 . 1 1 3 3 MET CB C 3 32.724 32.724 33.614 -0.890 18438 4988 1 12 . 1 1 4 4 GLN N N 4 122.983 122.983 117.562 5.421 18438 4989 1 12 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.172 0.391 18438 4990 1 12 . 1 1 4 4 GLN C C 4 173.835 173.835 174.702 -0.867 18438 4991 1 12 . 1 1 4 4 GLN CA C 4 53.521 53.521 56.112 -2.591 18438 4992 1 12 . 1 1 4 4 GLN CB C 4 28.765 28.765 26.401 2.364 18438 4993 1 12 . 1 1 4 4 GLN H H 4 8.267 8.267 8.674 -0.407 18438 4994 1 12 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.423 -0.455 18438 4995 1 12 . 1 1 5 5 PRO CA C 5 63.992 63.992 63.631 0.361 18438 4996 1 12 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.748 -0.052 18438 4997 1 12 . 1 1 6 6 GLY C C 6 175.512 175.512 174.867 0.645 18438 4998 1 12 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.602 1.434 18438 4999 1 12 . 1 1 7 7 LYS N N 7 121.187 121.187 121.295 -0.108 18438 5000 1 12 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.308 -0.156 18438 5001 1 12 . 1 1 7 7 LYS C C 7 179.107 179.107 177.512 1.595 18438 5002 1 12 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.694 0.261 18438 5003 1 12 . 1 1 7 7 LYS CB C 7 31.641 31.641 31.884 -0.243 18438 5004 1 12 . 1 1 7 7 LYS H H 7 7.788 7.788 7.718 0.070 18438 5005 1 12 . 1 1 8 8 TYR N N 8 119.428 119.428 117.749 1.679 18438 5006 1 12 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.509 -0.207 18438 5007 1 12 . 1 1 8 8 TYR C C 8 177.544 177.544 177.637 -0.093 18438 5008 1 12 . 1 1 8 8 TYR CA C 8 63.600 63.600 62.089 1.512 18438 5009 1 12 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.395 -0.226 18438 5010 1 12 . 1 1 8 8 TYR H H 8 8.197 8.197 8.324 -0.127 18438 5011 1 12 . 1 1 9 9 SER N N 9 116.845 116.845 115.417 1.428 18438 5012 1 12 . 1 1 9 9 SER HA H 9 4.241 4.241 4.193 0.048 18438 5013 1 12 . 1 1 9 9 SER C C 9 175.982 175.982 176.475 -0.493 18438 5014 1 12 . 1 1 9 9 SER CA C 9 62.258 62.258 61.927 0.331 18438 5015 1 12 . 1 1 9 9 SER CB C 9 62.254 62.254 62.432 -0.178 18438 5016 1 12 . 1 1 9 9 SER H H 9 8.279 8.279 8.661 -0.382 18438 5017 1 12 . 1 1 10 10 GLN N N 10 120.862 120.862 122.093 -1.231 18438 5018 1 12 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.033 0.053 18438 5019 1 12 . 1 1 10 10 GLN C C 10 177.779 177.779 178.398 -0.619 18438 5020 1 12 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.590 0.152 18438 5021 1 12 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.456 -0.556 18438 5022 1 12 . 1 1 10 10 GLN H H 10 7.765 7.765 7.653 0.112 18438 5023 1 12 . 1 1 11 11 LEU N N 11 119.752 119.752 121.876 -2.124 18438 5024 1 12 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.167 0.227 18438 5025 1 12 . 1 1 11 11 LEU C C 11 180.357 180.357 178.631 1.726 18438 5026 1 12 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.820 -0.105 18438 5027 1 12 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.908 0.030 18438 5028 1 12 . 1 1 11 11 LEU H H 11 7.805 7.805 8.070 -0.265 18438 5029 1 12 . 1 1 12 12 VAL N N 12 122.619 122.619 118.768 3.851 18438 5030 1 12 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.471 -0.140 18438 5031 1 12 . 1 1 12 12 VAL C C 12 176.841 176.841 178.093 -1.252 18438 5032 1 12 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.069 1.348 18438 5033 1 12 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.561 -0.241 18438 5034 1 12 . 1 1 12 12 VAL H H 12 8.355 8.355 7.741 0.614 18438 5035 1 12 . 1 1 13 13 VAL N N 13 118.472 118.472 119.832 -1.360 18438 5036 1 12 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.524 -0.130 18438 5037 1 12 . 1 1 13 13 VAL C C 13 177.622 177.622 178.164 -0.542 18438 5038 1 12 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.006 0.761 18438 5039 1 12 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.516 0.388 18438 5040 1 12 . 1 1 13 13 VAL H H 13 7.636 7.636 7.706 -0.070 18438 5041 1 12 . 1 1 14 14 GLU N N 14 117.137 117.137 118.540 -1.403 18438 5042 1 12 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.094 -0.020 18438 5043 1 12 . 1 1 14 14 GLU C C 14 179.576 179.576 179.237 0.339 18438 5044 1 12 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.295 -0.466 18438 5045 1 12 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.443 -0.043 18438 5046 1 12 . 1 1 14 14 GLU H H 14 8.642 8.642 8.202 0.440 18438 5047 1 12 . 1 1 15 15 THR N N 15 116.678 116.678 117.492 -0.814 18438 5048 1 12 . 1 1 15 15 THR HA H 15 3.859 3.859 4.064 -0.205 18438 5049 1 12 . 1 1 15 15 THR C C 15 175.669 175.669 176.340 -0.671 18438 5050 1 12 . 1 1 15 15 THR CA C 15 67.743 67.743 67.537 0.206 18438 5051 1 12 . 1 1 15 15 THR CB C 15 67.761 67.761 68.595 -0.834 18438 5052 1 12 . 1 1 15 15 THR H H 15 8.354 8.354 8.050 0.304 18438 5053 1 12 . 1 1 16 16 ILE N N 16 121.241 121.241 121.181 0.060 18438 5054 1 12 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.786 -0.282 18438 5055 1 12 . 1 1 16 16 ILE C C 16 179.576 179.576 177.292 2.284 18438 5056 1 12 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.981 1.873 18438 5057 1 12 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.450 0.758 18438 5058 1 12 . 1 1 16 16 ILE H H 16 8.342 8.342 7.995 0.347 18438 5059 1 12 . 1 1 17 17 ARG N N 17 120.540 120.540 120.234 0.306 18438 5060 1 12 . 1 1 17 17 ARG HA H 17 3.982 3.982 3.978 0.004 18438 5061 1 12 . 1 1 17 17 ARG C C 17 178.482 178.482 178.312 0.170 18438 5062 1 12 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.291 0.236 18438 5063 1 12 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.113 0.189 18438 5064 1 12 . 1 1 17 17 ARG H H 17 8.496 8.496 7.707 0.789 18438 5065 1 12 . 1 1 18 18 ARG N N 18 118.955 118.955 118.027 0.928 18438 5066 1 12 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.142 -0.152 18438 5067 1 12 . 1 1 18 18 ARG C C 18 178.794 178.794 178.321 0.473 18438 5068 1 12 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.058 0.957 18438 5069 1 12 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.860 0.251 18438 5070 1 12 . 1 1 18 18 ARG H H 18 8.257 8.257 7.925 0.332 18438 5071 1 12 . 1 1 19 19 LEU N N 19 118.486 118.486 117.333 1.153 18438 5072 1 12 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.255 -0.202 18438 5073 1 12 . 1 1 19 19 LEU C C 19 179.419 179.419 177.999 1.420 18438 5074 1 12 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.555 1.547 18438 5075 1 12 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.348 -0.052 18438 5076 1 12 . 1 1 19 19 LEU H H 19 8.179 8.179 7.864 0.315 18438 5077 1 12 . 1 1 20 20 GLY N N 20 104.303 104.303 106.160 -1.857 18438 5078 1 12 . 1 1 20 20 GLY C C 20 175.200 175.200 174.911 0.289 18438 5079 1 12 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.522 1.963 18438 5080 1 12 . 1 1 20 20 GLY H H 20 7.520 7.520 7.743 -0.223 18438 5081 1 12 . 1 1 21 21 GLU N N 21 118.725 118.725 119.125 -0.400 18438 5082 1 12 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.360 -0.140 18438 5083 1 12 . 1 1 21 21 GLU C C 21 179.280 179.280 175.851 3.429 18438 5084 1 12 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.470 1.099 18438 5085 1 12 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.571 -0.591 18438 5086 1 12 . 1 1 21 21 GLU H H 21 8.674 8.674 7.505 1.169 18438 5087 1 12 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.439 -0.434 18438 5088 1 12 . 1 1 22 22 ARG C C 22 177.150 177.150 176.860 0.290 18438 5089 1 12 . 1 1 22 22 ARG CA C 22 59.467 59.467 57.180 2.287 18438 5090 1 12 . 1 1 22 22 ARG CB C 22 29.953 29.953 32.242 -2.288 18438 5091 1 12 . 1 1 23 23 ASN N N 23 114.707 114.707 117.779 -3.072 18438 5092 1 12 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.686 0.312 18438 5093 1 12 . 1 1 23 23 ASN C C 23 174.888 174.888 175.494 -0.606 18438 5094 1 12 . 1 1 23 23 ASN CA C 23 51.900 51.900 54.656 -2.756 18438 5095 1 12 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.768 -2.264 18438 5096 1 12 . 1 1 23 23 ASN H H 23 8.662 8.662 8.131 0.531 18438 5097 1 12 . 1 1 24 24 GLY N N 24 104.147 104.147 106.446 -2.299 18438 5098 1 12 . 1 1 24 24 GLY C C 24 172.075 172.075 172.941 -0.866 18438 5099 1 12 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.685 0.014 18438 5100 1 12 . 1 1 24 24 GLY H H 24 7.130 7.130 8.334 -1.204 18438 5101 1 12 . 1 1 25 25 SER N N 25 113.134 113.134 119.010 -5.876 18438 5102 1 12 . 1 1 25 25 SER HA H 25 5.329 5.329 4.825 0.504 18438 5103 1 12 . 1 1 25 25 SER C C 25 173.716 173.716 174.883 -1.167 18438 5104 1 12 . 1 1 25 25 SER CA C 25 57.259 57.259 56.743 0.516 18438 5105 1 12 . 1 1 25 25 SER CB C 25 66.600 66.600 64.879 1.721 18438 5106 1 12 . 1 1 25 25 SER H H 25 8.661 8.661 8.407 0.254 18438 5107 1 12 . 1 1 26 26 SER N N 26 121.159 121.159 122.007 -0.848 18438 5108 1 12 . 1 1 26 26 SER HA H 26 4.962 4.962 4.277 0.685 18438 5109 1 12 . 1 1 26 26 SER C C 26 174.732 174.732 175.808 -1.076 18438 5110 1 12 . 1 1 26 26 SER CA C 26 56.600 56.600 58.812 -2.212 18438 5111 1 12 . 1 1 26 26 SER CB C 26 65.369 65.369 63.669 1.700 18438 5112 1 12 . 1 1 26 26 SER H H 26 8.841 8.841 8.849 -0.008 18438 5113 1 12 . 1 1 27 27 LEU N N 27 121.372 121.372 125.315 -3.943 18438 5114 1 12 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.205 -0.100 18438 5115 1 12 . 1 1 27 27 LEU C C 27 177.935 177.935 178.319 -0.384 18438 5116 1 12 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.703 0.124 18438 5117 1 12 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.801 -0.860 18438 5118 1 12 . 1 1 27 27 LEU H H 27 9.303 9.303 9.148 0.155 18438 5119 1 12 . 1 1 28 28 ALA N N 28 119.606 119.606 120.216 -0.610 18438 5120 1 12 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.184 -0.022 18438 5121 1 12 . 1 1 28 28 ALA C C 28 180.279 180.279 179.853 0.426 18438 5122 1 12 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.197 0.528 18438 5123 1 12 . 1 1 28 28 ALA CB C 28 18.247 18.247 17.952 0.295 18438 5124 1 12 . 1 1 28 28 ALA H H 28 8.509 8.509 8.336 0.173 18438 5125 1 12 . 1 1 29 29 LYS N N 29 120.138 120.138 119.518 0.620 18438 5126 1 12 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.158 -0.029 18438 5127 1 12 . 1 1 29 29 LYS C C 29 178.950 178.950 178.785 0.165 18438 5128 1 12 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.177 0.408 18438 5129 1 12 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.010 0.473 18438 5130 1 12 . 1 1 29 29 LYS H H 29 7.873 7.873 7.449 0.424 18438 5131 1 12 . 1 1 30 30 ILE N N 30 119.535 119.535 120.045 -0.510 18438 5132 1 12 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.677 -0.172 18438 5133 1 12 . 1 1 30 30 ILE C C 30 177.466 177.466 177.502 -0.036 18438 5134 1 12 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.545 -0.184 18438 5135 1 12 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.143 0.479 18438 5136 1 12 . 1 1 30 30 ILE H H 30 8.505 8.505 8.365 0.140 18438 5137 1 12 . 1 1 31 31 TYR N N 31 119.439 119.439 120.762 -1.323 18438 5138 1 12 . 1 1 31 31 TYR HA H 31 3.968 3.968 3.979 -0.011 18438 5139 1 12 . 1 1 31 31 TYR C C 31 175.513 175.513 177.437 -1.924 18438 5140 1 12 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.283 -1.383 18438 5141 1 12 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.360 -0.421 18438 5142 1 12 . 1 1 31 31 TYR H H 31 9.231 9.231 8.200 1.031 18438 5143 1 12 . 1 1 32 32 THR N N 32 113.378 113.378 113.956 -0.578 18438 5144 1 12 . 1 1 32 32 THR HA H 32 3.314 3.314 3.915 -0.601 18438 5145 1 12 . 1 1 32 32 THR C C 32 175.435 175.435 175.964 -0.529 18438 5146 1 12 . 1 1 32 32 THR CA C 32 66.900 66.900 66.206 0.694 18438 5147 1 12 . 1 1 32 32 THR CB C 32 68.631 68.631 68.591 0.040 18438 5148 1 12 . 1 1 32 32 THR H H 32 7.936 7.936 7.845 0.091 18438 5149 1 12 . 1 1 33 33 GLU N N 33 117.565 117.565 118.294 -0.729 18438 5150 1 12 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.290 -0.240 18438 5151 1 12 . 1 1 33 33 GLU C C 33 178.716 178.716 178.172 0.544 18438 5152 1 12 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.025 -0.825 18438 5153 1 12 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.829 0.134 18438 5154 1 12 . 1 1 33 33 GLU H H 33 7.359 7.359 7.548 -0.189 18438 5155 1 12 . 1 1 34 34 ALA N N 34 124.323 124.323 121.308 3.015 18438 5156 1 12 . 1 1 34 34 ALA HA H 34 3.629 3.629 4.024 -0.395 18438 5157 1 12 . 1 1 34 34 ALA C C 34 177.232 177.232 177.624 -0.392 18438 5158 1 12 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.532 1.122 18438 5159 1 12 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.605 -0.314 18438 5160 1 12 . 1 1 34 34 ALA H H 34 8.940 8.940 7.737 1.203 18438 5161 1 12 . 1 1 35 35 LYS N N 35 110.920 110.920 115.887 -4.967 18438 5162 1 12 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.747 0.032 18438 5163 1 12 . 1 1 35 35 LYS C C 35 176.060 176.060 177.246 -1.186 18438 5164 1 12 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.846 -0.142 18438 5165 1 12 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.773 -0.975 18438 5166 1 12 . 1 1 35 35 LYS H H 35 7.277 7.277 7.513 -0.236 18438 5167 1 12 . 1 1 36 36 LYS N N 36 116.850 116.850 119.967 -3.117 18438 5168 1 12 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.110 -0.190 18438 5169 1 12 . 1 1 36 36 LYS C C 36 177.544 177.544 175.879 1.665 18438 5170 1 12 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.549 0.234 18438 5171 1 12 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.236 0.808 18438 5172 1 12 . 1 1 36 36 LYS H H 36 6.808 6.808 7.430 -0.622 18438 5173 1 12 . 1 1 37 37 VAL N N 37 120.331 120.331 117.890 2.441 18438 5174 1 12 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.289 -0.145 18438 5175 1 12 . 1 1 37 37 VAL C C 37 177.134 177.134 175.119 2.015 18438 5176 1 12 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.281 1.947 18438 5177 1 12 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.226 -0.165 18438 5178 1 12 . 1 1 37 37 VAL H H 37 7.413 7.413 7.025 0.388 18438 5179 1 12 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.290 0.016 18438 5180 1 12 . 1 1 38 38 PRO C C 38 176.763 176.763 176.734 0.029 18438 5181 1 12 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.951 0.469 18438 5182 1 12 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.963 -0.002 18438 5183 1 12 . 1 1 39 39 TRP N N 39 110.211 110.211 114.236 -4.025 18438 5184 1 12 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.654 0.070 18438 5185 1 12 . 1 1 39 39 TRP C C 39 176.216 176.216 176.082 0.134 18438 5186 1 12 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.101 -1.601 18438 5187 1 12 . 1 1 39 39 TRP CB C 39 28.927 28.927 29.108 -0.181 18438 5188 1 12 . 1 1 39 39 TRP H H 39 6.356 6.356 7.584 -1.228 18438 5189 1 12 . 1 1 40 40 PHE N N 40 124.624 124.624 125.089 -0.465 18438 5190 1 12 . 1 1 40 40 PHE HA H 40 3.696 3.696 3.899 -0.203 18438 5191 1 12 . 1 1 40 40 PHE C C 40 174.966 174.966 174.478 0.488 18438 5192 1 12 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.565 1.643 18438 5193 1 12 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.087 0.691 18438 5194 1 12 . 1 1 40 40 PHE H H 40 7.282 7.282 6.935 0.347 18438 5195 1 12 . 1 1 41 41 ASP N N 41 127.204 127.204 127.401 -0.197 18438 5196 1 12 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.663 -0.021 18438 5197 1 12 . 1 1 41 41 ASP C C 41 175.904 175.904 176.000 -0.096 18438 5198 1 12 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.287 0.042 18438 5199 1 12 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.507 -1.227 18438 5200 1 12 . 1 1 41 41 ASP H H 41 7.038 7.038 7.919 -0.881 18438 5201 1 12 . 1 1 42 42 GLN N N 42 125.531 125.531 123.693 1.838 18438 5202 1 12 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.487 -0.310 18438 5203 1 12 . 1 1 42 42 GLN C C 42 178.169 178.169 175.904 2.265 18438 5204 1 12 . 1 1 42 42 GLN CA C 42 57.959 57.959 56.846 1.113 18438 5205 1 12 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.009 -0.487 18438 5206 1 12 . 1 1 42 42 GLN H H 42 9.072 9.072 8.819 0.253 18438 5207 1 12 . 1 1 43 43 GLN N N 43 118.221 118.221 118.766 -0.545 18438 5208 1 12 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.356 -0.029 18438 5209 1 12 . 1 1 43 43 GLN C C 43 177.154 177.154 177.232 -0.078 18438 5210 1 12 . 1 1 43 43 GLN CA C 43 58.141 58.141 56.993 1.148 18438 5211 1 12 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.931 -0.677 18438 5212 1 12 . 1 1 43 43 GLN H H 43 8.356 8.356 7.726 0.630 18438 5213 1 12 . 1 1 44 44 ASN N N 44 115.402 115.402 117.837 -2.435 18438 5214 1 12 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.360 0.371 18438 5215 1 12 . 1 1 44 44 ASN C C 44 175.200 175.200 176.733 -1.533 18438 5216 1 12 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.831 -2.232 18438 5217 1 12 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.793 2.266 18438 5218 1 12 . 1 1 44 44 ASN H H 44 8.163 8.163 8.425 -0.262 18438 5219 1 12 . 1 1 45 45 GLY N N 45 109.680 109.680 108.440 1.240 18438 5220 1 12 . 1 1 45 45 GLY C C 45 175.200 175.200 175.779 -0.579 18438 5221 1 12 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.230 1.970 18438 5222 1 12 . 1 1 45 45 GLY H H 45 8.094 8.094 7.845 0.249 18438 5223 1 12 . 1 1 46 46 ARG N N 46 121.367 121.367 120.931 0.436 18438 5224 1 12 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.495 -0.606 18438 5225 1 12 . 1 1 46 46 ARG C C 46 178.091 178.091 178.030 0.061 18438 5226 1 12 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.750 1.120 18438 5227 1 12 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.592 -0.309 18438 5228 1 12 . 1 1 46 46 ARG H H 46 8.893 8.893 7.733 1.160 18438 5229 1 12 . 1 1 47 47 THR N N 47 116.630 116.630 116.032 0.598 18438 5230 1 12 . 1 1 47 47 THR HA H 47 3.668 3.668 4.111 -0.443 18438 5231 1 12 . 1 1 47 47 THR C C 47 176.060 176.060 177.071 -1.011 18438 5232 1 12 . 1 1 47 47 THR CA C 47 66.345 66.345 67.100 -0.755 18438 5233 1 12 . 1 1 47 47 THR CB C 47 67.794 67.794 68.207 -0.412 18438 5234 1 12 . 1 1 47 47 THR H H 47 7.397 7.397 7.520 -0.123 18438 5235 1 12 . 1 1 48 48 TYR N N 48 120.826 120.826 120.525 0.301 18438 5236 1 12 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.215 0.198 18438 5237 1 12 . 1 1 48 48 TYR C C 48 180.279 180.279 177.869 2.410 18438 5238 1 12 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.351 -1.431 18438 5239 1 12 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.517 -1.417 18438 5240 1 12 . 1 1 48 48 TYR H H 48 7.529 7.529 7.479 0.050 18438 5241 1 12 . 1 1 49 49 LEU N N 49 120.670 120.670 120.168 0.502 18438 5242 1 12 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.076 -0.013 18438 5243 1 12 . 1 1 49 49 LEU C C 49 178.091 178.091 178.999 -0.908 18438 5244 1 12 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.073 0.186 18438 5245 1 12 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.807 0.452 18438 5246 1 12 . 1 1 49 49 LEU H H 49 8.847 8.847 8.511 0.336 18438 5247 1 12 . 1 1 50 50 LYS N N 50 119.596 119.596 119.395 0.201 18438 5248 1 12 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.882 -0.112 18438 5249 1 12 . 1 1 50 50 LYS C C 50 179.263 179.263 179.297 -0.034 18438 5250 1 12 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.432 1.204 18438 5251 1 12 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.161 -0.163 18438 5252 1 12 . 1 1 50 50 LYS H H 50 8.001 8.001 7.868 0.133 18438 5253 1 12 . 1 1 51 51 TYR N N 51 118.606 118.606 119.299 -0.693 18438 5254 1 12 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.347 -0.048 18438 5255 1 12 . 1 1 51 51 TYR C C 51 179.107 179.107 178.160 0.947 18438 5256 1 12 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.291 -1.053 18438 5257 1 12 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.583 -1.246 18438 5258 1 12 . 1 1 51 51 TYR H H 51 8.274 8.274 8.359 -0.085 18438 5259 1 12 . 1 1 52 52 SER N N 52 117.699 117.699 116.745 0.954 18438 5260 1 12 . 1 1 52 52 SER HA H 52 4.227 4.227 4.218 0.009 18438 5261 1 12 . 1 1 52 52 SER C C 52 175.669 175.669 176.804 -1.135 18438 5262 1 12 . 1 1 52 52 SER CA C 52 63.312 63.312 62.592 0.720 18438 5263 1 12 . 1 1 52 52 SER CB C 52 63.520 63.520 63.024 0.496 18438 5264 1 12 . 1 1 52 52 SER H H 52 8.303 8.303 8.008 0.295 18438 5265 1 12 . 1 1 53 53 ILE N N 53 121.571 121.571 122.779 -1.208 18438 5266 1 12 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.484 -0.203 18438 5267 1 12 . 1 1 53 53 ILE C C 53 176.685 176.685 177.091 -0.406 18438 5268 1 12 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.804 0.235 18438 5269 1 12 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.476 0.046 18438 5270 1 12 . 1 1 53 53 ILE H H 53 8.543 8.543 8.507 0.036 18438 5271 1 12 . 1 1 54 54 LYS N N 54 117.799 117.799 119.974 -2.175 18438 5272 1 12 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.844 0.033 18438 5273 1 12 . 1 1 54 54 LYS C C 54 179.107 179.107 178.833 0.274 18438 5274 1 12 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.687 0.165 18438 5275 1 12 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.280 -0.266 18438 5276 1 12 . 1 1 54 54 LYS H H 54 7.572 7.572 7.501 0.071 18438 5277 1 12 . 1 1 55 55 ALA N N 55 121.284 121.284 121.724 -0.440 18438 5278 1 12 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.177 -0.062 18438 5279 1 12 . 1 1 55 55 ALA C C 55 180.201 180.201 179.955 0.246 18438 5280 1 12 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.986 0.012 18438 5281 1 12 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.341 -0.421 18438 5282 1 12 . 1 1 55 55 ALA H H 55 7.669 7.669 7.925 -0.256 18438 5283 1 12 . 1 1 56 56 LEU N N 56 119.236 119.236 118.481 0.755 18438 5284 1 12 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.065 0.355 18438 5285 1 12 . 1 1 56 56 LEU C C 56 179.966 179.966 178.805 1.161 18438 5286 1 12 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.240 -1.146 18438 5287 1 12 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.854 0.507 18438 5288 1 12 . 1 1 56 56 LEU H H 56 8.302 8.302 7.916 0.386 18438 5289 1 12 . 1 1 57 57 VAL N N 57 122.357 122.357 119.439 2.918 18438 5290 1 12 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.006 0.361 18438 5291 1 12 . 1 1 57 57 VAL C C 57 180.669 180.669 178.769 1.900 18438 5292 1 12 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.245 -1.139 18438 5293 1 12 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.616 0.390 18438 5294 1 12 . 1 1 57 57 VAL H H 57 8.555 8.555 8.156 0.399 18438 5295 1 12 . 1 1 58 58 GLN N N 58 120.472 120.472 119.282 1.190 18438 5296 1 12 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.099 0.026 18438 5297 1 12 . 1 1 58 58 GLN C C 58 177.154 177.154 177.380 -0.226 18438 5298 1 12 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.486 0.334 18438 5299 1 12 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.711 -0.511 18438 5300 1 12 . 1 1 58 58 GLN H H 58 8.078 8.078 7.712 0.366 18438 5301 1 12 . 1 1 59 59 ASN N N 59 114.176 114.176 115.066 -0.890 18438 5302 1 12 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.775 0.104 18438 5303 1 12 . 1 1 59 59 ASN C C 59 175.122 175.122 174.169 0.953 18438 5304 1 12 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.788 -2.208 18438 5305 1 12 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.133 -1.437 18438 5306 1 12 . 1 1 59 59 ASN H H 59 7.704 7.704 7.744 -0.040 18438 5307 1 12 . 1 1 60 60 ASP N N 60 113.376 113.376 115.054 -1.678 18438 5308 1 12 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.425 0.038 18438 5309 1 12 . 1 1 60 60 ASP C C 60 175.279 175.279 176.386 -1.107 18438 5310 1 12 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.940 0.132 18438 5311 1 12 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.002 0.908 18438 5312 1 12 . 1 1 60 60 ASP H H 60 7.900 7.900 7.706 0.194 18438 5313 1 12 . 1 1 61 61 THR N N 61 117.382 117.382 111.901 5.481 18438 5314 1 12 . 1 1 61 61 THR HA H 61 4.097 4.097 4.259 -0.162 18438 5315 1 12 . 1 1 61 61 THR C C 61 174.966 174.966 174.649 0.317 18438 5316 1 12 . 1 1 61 61 THR CA C 61 67.141 67.141 65.843 1.298 18438 5317 1 12 . 1 1 61 61 THR CB C 61 68.143 68.143 69.688 -1.544 18438 5318 1 12 . 1 1 61 61 THR H H 61 8.776 8.776 8.074 0.702 18438 5319 1 12 . 1 1 62 62 LEU N N 62 118.406 118.406 119.432 -1.026 18438 5320 1 12 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.189 -0.026 18438 5321 1 12 . 1 1 62 62 LEU C C 62 175.122 175.122 175.848 -0.726 18438 5322 1 12 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.310 -1.469 18438 5323 1 12 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.521 -0.056 18438 5324 1 12 . 1 1 62 62 LEU H H 62 7.653 7.653 7.664 -0.011 18438 5325 1 12 . 1 1 63 63 LEU N N 63 119.075 119.075 120.829 -1.754 18438 5326 1 12 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.796 -0.146 18438 5327 1 12 . 1 1 63 63 LEU C C 63 175.904 175.904 175.786 0.118 18438 5328 1 12 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.597 -0.573 18438 5329 1 12 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.243 -0.202 18438 5330 1 12 . 1 1 63 63 LEU H H 63 9.145 9.145 8.638 0.507 18438 5331 1 12 . 1 1 64 64 GLN N N 64 123.978 123.978 125.310 -1.332 18438 5332 1 12 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.519 0.057 18438 5333 1 12 . 1 1 64 64 GLN C C 64 175.435 175.435 175.511 -0.076 18438 5334 1 12 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.735 -0.709 18438 5335 1 12 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.925 0.331 18438 5336 1 12 . 1 1 64 64 GLN H H 64 8.995 8.995 8.865 0.130 18438 5337 1 12 . 1 1 65 65 VAL N N 65 126.750 126.750 129.203 -2.453 18438 5338 1 12 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.142 -0.117 18438 5339 1 12 . 1 1 65 65 VAL C C 65 175.747 175.747 174.784 0.963 18438 5340 1 12 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.229 0.691 18438 5341 1 12 . 1 1 65 65 VAL CB C 65 32.502 32.502 30.758 1.744 18438 5342 1 12 . 1 1 65 65 VAL H H 65 8.520 8.520 8.490 0.030 18438 5343 1 12 . 1 1 66 66 LYS N N 66 124.150 124.150 123.805 0.345 18438 5344 1 12 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.424 -0.212 18438 5345 1 12 . 1 1 66 66 LYS C C 66 176.607 176.607 176.298 0.309 18438 5346 1 12 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.060 0.716 18438 5347 1 12 . 1 1 66 66 LYS CB C 66 33.019 33.019 31.330 1.689 18438 5348 1 12 . 1 1 66 66 LYS H H 66 8.311 8.311 8.102 0.209 18438 5349 1 12 . 1 1 67 67 GLY N N 67 109.952 109.952 109.258 0.694 18438 5350 1 12 . 1 1 67 67 GLY C C 67 173.716 173.716 173.600 0.116 18438 5351 1 12 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.280 -0.378 18438 5352 1 12 . 1 1 67 67 GLY H H 67 8.401 8.401 7.358 1.043 18438 5353 1 12 . 1 1 68 68 THR N N 68 111.619 111.619 115.949 -4.330 18438 5354 1 12 . 1 1 68 68 THR HA H 68 4.399 4.399 4.662 -0.263 18438 5355 1 12 . 1 1 68 68 THR C C 68 175.279 175.279 175.464 -0.185 18438 5356 1 12 . 1 1 68 68 THR CA C 68 61.243 61.243 61.348 -0.105 18438 5357 1 12 . 1 1 68 68 THR CB C 68 69.860 69.860 70.094 -0.234 18438 5358 1 12 . 1 1 68 68 THR H H 68 8.032 8.032 7.255 0.777 18438 5359 1 12 . 1 1 69 69 GLY N N 69 111.951 111.951 117.331 -5.380 18438 5360 1 12 . 1 1 69 69 GLY C C 69 174.572 174.572 173.973 0.599 18438 5361 1 12 . 1 1 69 69 GLY CA C 69 45.580 45.580 46.358 -0.778 18438 5362 1 12 . 1 1 69 69 GLY H H 69 8.581 8.581 8.838 -0.257 18438 5363 1 12 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.457 -0.155 18438 5364 1 12 . 1 1 70 70 ALA C C 70 177.774 177.774 175.747 2.027 18438 5365 1 12 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.983 1.078 18438 5366 1 12 . 1 1 70 70 ALA CB C 70 18.921 18.921 20.221 -1.300 18438 5367 1 12 . 1 1 71 71 ASN N N 71 115.782 115.782 118.215 -2.433 18438 5368 1 12 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.902 -0.022 18438 5369 1 12 . 1 1 71 71 ASN C C 71 174.966 174.966 175.130 -0.164 18438 5370 1 12 . 1 1 71 71 ASN CA C 71 52.744 52.744 52.361 0.383 18438 5371 1 12 . 1 1 71 71 ASN CB C 71 39.217 39.217 41.314 -2.097 18438 5372 1 12 . 1 1 71 71 ASN H H 71 8.151 8.151 7.999 0.152 18438 5373 1 12 . 1 1 72 72 GLY N N 72 107.783 107.783 109.215 -1.432 18438 5374 1 12 . 1 1 72 72 GLY C C 72 172.700 172.700 173.737 -1.037 18438 5375 1 12 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.534 0.368 18438 5376 1 12 . 1 1 72 72 GLY H H 72 8.051 8.051 8.491 -0.440 18438 5377 1 12 . 1 1 73 73 SER N N 73 114.063 114.063 118.375 -4.312 18438 5378 1 12 . 1 1 73 73 SER HA H 73 4.484 4.484 4.284 0.200 18438 5379 1 12 . 1 1 73 73 SER C C 73 172.480 172.480 173.052 -0.572 18438 5380 1 12 . 1 1 73 73 SER CA C 73 56.717 56.717 59.067 -2.350 18438 5381 1 12 . 1 1 73 73 SER CB C 73 65.043 65.043 64.552 0.491 18438 5382 1 12 . 1 1 73 73 SER H H 73 7.761 7.761 7.782 -0.021 18438 5383 1 12 . 1 1 74 74 PHE N N 74 119.449 119.449 117.184 2.265 18438 5384 1 12 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.443 0.039 18438 5385 1 12 . 1 1 74 74 PHE C C 74 174.185 174.185 174.722 -0.537 18438 5386 1 12 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.977 0.484 18438 5387 1 12 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.659 -0.648 18438 5388 1 12 . 1 1 74 74 PHE H H 74 8.489 8.489 8.615 -0.126 18438 5389 1 12 . 1 1 75 75 LYS N N 75 119.294 119.294 119.444 -0.150 18438 5390 1 12 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.823 0.136 18438 5391 1 12 . 1 1 75 75 LYS C C 75 175.669 175.669 174.435 1.234 18438 5392 1 12 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.304 -0.900 18438 5393 1 12 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.135 1.104 18438 5394 1 12 . 1 1 75 75 LYS H H 75 8.894 8.894 8.532 0.362 18438 5395 1 12 . 1 1 76 76 LEU N N 76 121.201 121.201 120.941 0.260 18438 5396 1 12 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.284 0.088 18438 5397 1 12 . 1 1 76 76 LEU C C 76 177.075 177.075 177.189 -0.114 18438 5398 1 12 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.377 0.401 18438 5399 1 12 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.341 -0.700 18438 5400 1 12 . 1 1 76 76 LEU H H 76 9.023 9.023 8.608 0.415 18438 5401 1 12 . 1 1 77 77 ASN N N 77 120.222 120.222 120.891 -0.669 18438 5402 1 12 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.771 -0.098 18438 5403 1 12 . 1 1 77 77 ASN C C 77 175.669 175.669 177.198 -1.529 18438 5404 1 12 . 1 1 77 77 ASN CA C 77 51.802 51.802 52.674 -0.872 18438 5405 1 12 . 1 1 77 77 ASN CB C 77 37.863 37.863 40.111 -2.248 18438 5406 1 12 . 1 1 77 77 ASN H H 77 8.333 8.333 8.345 -0.012 18438 5407 1 12 . 1 1 78 78 ARG N N 78 125.225 125.225 124.186 1.039 18438 5408 1 12 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.091 0.122 18438 5409 1 12 . 1 1 78 78 ARG C C 78 176.607 176.607 176.864 -0.257 18438 5410 1 12 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.836 -1.460 18438 5411 1 12 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.359 -0.318 18438 5412 1 12 . 1 1 78 78 ARG H H 78 8.373 8.373 8.813 -0.440 18438 5413 1 12 . 1 1 79 79 LYS N N 79 119.831 119.831 116.553 3.278 18438 5414 1 12 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.416 -0.211 18438 5415 1 12 . 1 1 79 79 LYS C C 79 177.075 177.075 175.260 1.815 18438 5416 1 12 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.425 0.718 18438 5417 1 12 . 1 1 79 79 LYS CB C 79 32.341 32.341 32.166 0.175 18438 5418 1 12 . 1 1 79 79 LYS H H 79 8.095 8.095 7.833 0.262 18438 5419 1 12 . 1 1 80 80 LYS N N 80 119.767 119.767 119.437 0.330 18438 5420 1 12 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.454 -0.150 18438 5421 1 12 . 1 1 80 80 LYS C C 80 176.607 176.607 177.062 -0.455 18438 5422 1 12 . 1 1 80 80 LYS CA C 80 56.085 56.085 55.423 0.662 18438 5423 1 12 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.888 0.129 18438 5424 1 12 . 1 1 80 80 LYS H H 80 7.671 7.671 7.910 -0.239 18438 5425 1 12 . 1 1 81 81 LEU N N 81 121.868 121.868 122.532 -0.664 18438 5426 1 12 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.100 0.257 18438 5427 1 12 . 1 1 81 81 LEU C C 81 177.214 177.214 176.935 0.279 18438 5428 1 12 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.519 -2.148 18438 5429 1 12 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.202 0.285 18438 5430 1 12 . 1 1 81 81 LEU H H 81 7.996 7.996 8.103 -0.107 18438 5431 1 12 . 1 1 82 82 GLU N N 82 120.499 120.499 118.112 2.387 18438 5432 1 12 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.408 -0.066 18438 5433 1 12 . 1 1 82 82 GLU C C 82 175.875 175.875 176.327 -0.452 18438 5434 1 12 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.173 0.158 18438 5435 1 12 . 1 1 82 82 GLU CB C 82 30.322 30.322 29.323 0.999 18438 5436 1 12 . 1 1 82 82 GLU H H 82 8.262 8.262 8.472 -0.210 18438 5437 1 13 . 1 1 3 3 MET HA H 3 4.270 4.270 4.886 -0.616 18438 5438 1 13 . 1 1 3 3 MET C C 3 175.362 175.362 175.688 -0.326 18438 5439 1 13 . 1 1 3 3 MET CA C 3 55.318 55.318 54.620 0.698 18438 5440 1 13 . 1 1 3 3 MET CB C 3 32.724 32.724 34.663 -1.939 18438 5441 1 13 . 1 1 4 4 GLN N N 4 122.983 122.983 121.644 1.339 18438 5442 1 13 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.694 -0.131 18438 5443 1 13 . 1 1 4 4 GLN C C 4 173.835 173.835 173.978 -0.143 18438 5444 1 13 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.052 0.469 18438 5445 1 13 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.039 -0.274 18438 5446 1 13 . 1 1 4 4 GLN H H 4 8.267 8.267 8.410 -0.143 18438 5447 1 13 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.306 -0.338 18438 5448 1 13 . 1 1 5 5 PRO CA C 5 63.992 63.992 63.098 0.894 18438 5449 1 13 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.522 0.174 18438 5450 1 13 . 1 1 6 6 GLY C C 6 175.512 175.512 174.233 1.279 18438 5451 1 13 . 1 1 6 6 GLY CA C 6 46.036 46.036 45.289 0.747 18438 5452 1 13 . 1 1 7 7 LYS N N 7 121.187 121.187 123.221 -2.034 18438 5453 1 13 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.080 0.072 18438 5454 1 13 . 1 1 7 7 LYS C C 7 179.107 179.107 176.967 2.140 18438 5455 1 13 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.599 0.356 18438 5456 1 13 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.292 -0.651 18438 5457 1 13 . 1 1 7 7 LYS H H 7 7.788 7.788 8.609 -0.821 18438 5458 1 13 . 1 1 8 8 TYR N N 8 119.428 119.428 119.913 -0.485 18438 5459 1 13 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.581 -0.279 18438 5460 1 13 . 1 1 8 8 TYR C C 8 177.544 177.544 178.306 -0.762 18438 5461 1 13 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.651 1.949 18438 5462 1 13 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.965 0.204 18438 5463 1 13 . 1 1 8 8 TYR H H 8 8.197 8.197 8.399 -0.202 18438 5464 1 13 . 1 1 9 9 SER N N 9 116.845 116.845 115.223 1.622 18438 5465 1 13 . 1 1 9 9 SER HA H 9 4.241 4.241 4.144 0.097 18438 5466 1 13 . 1 1 9 9 SER C C 9 175.982 175.982 176.563 -0.581 18438 5467 1 13 . 1 1 9 9 SER CA C 9 62.258 62.258 61.542 0.716 18438 5468 1 13 . 1 1 9 9 SER CB C 9 62.254 62.254 62.294 -0.040 18438 5469 1 13 . 1 1 9 9 SER H H 9 8.279 8.279 8.289 -0.010 18438 5470 1 13 . 1 1 10 10 GLN N N 10 120.862 120.862 121.752 -0.890 18438 5471 1 13 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.103 -0.017 18438 5472 1 13 . 1 1 10 10 GLN C C 10 177.779 177.779 178.161 -0.382 18438 5473 1 13 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.523 0.219 18438 5474 1 13 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.874 -0.974 18438 5475 1 13 . 1 1 10 10 GLN H H 10 7.765 7.765 7.934 -0.169 18438 5476 1 13 . 1 1 11 11 LEU N N 11 119.752 119.752 121.390 -1.638 18438 5477 1 13 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.122 0.272 18438 5478 1 13 . 1 1 11 11 LEU C C 11 180.357 180.357 178.665 1.692 18438 5479 1 13 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.944 -0.229 18438 5480 1 13 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.922 0.016 18438 5481 1 13 . 1 1 11 11 LEU H H 11 7.805 7.805 7.700 0.105 18438 5482 1 13 . 1 1 12 12 VAL N N 12 122.619 122.619 118.483 4.136 18438 5483 1 13 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.494 -0.163 18438 5484 1 13 . 1 1 12 12 VAL C C 12 176.841 176.841 178.063 -1.222 18438 5485 1 13 . 1 1 12 12 VAL CA C 12 68.417 68.417 66.998 1.419 18438 5486 1 13 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.567 -0.248 18438 5487 1 13 . 1 1 12 12 VAL H H 12 8.355 8.355 7.681 0.674 18438 5488 1 13 . 1 1 13 13 VAL N N 13 118.472 118.472 120.066 -1.594 18438 5489 1 13 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.550 -0.156 18438 5490 1 13 . 1 1 13 13 VAL C C 13 177.622 177.622 178.084 -0.462 18438 5491 1 13 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.056 0.711 18438 5492 1 13 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.477 0.427 18438 5493 1 13 . 1 1 13 13 VAL H H 13 7.636 7.636 7.604 0.032 18438 5494 1 13 . 1 1 14 14 GLU N N 14 117.137 117.137 118.501 -1.364 18438 5495 1 13 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.122 -0.048 18438 5496 1 13 . 1 1 14 14 GLU C C 14 179.576 179.576 179.321 0.255 18438 5497 1 13 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.207 -0.378 18438 5498 1 13 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.445 -0.045 18438 5499 1 13 . 1 1 14 14 GLU H H 14 8.642 8.642 8.271 0.371 18438 5500 1 13 . 1 1 15 15 THR N N 15 116.678 116.678 117.501 -0.823 18438 5501 1 13 . 1 1 15 15 THR HA H 15 3.859 3.859 4.090 -0.231 18438 5502 1 13 . 1 1 15 15 THR C C 15 175.669 175.669 176.235 -0.566 18438 5503 1 13 . 1 1 15 15 THR CA C 15 67.743 67.743 67.332 0.411 18438 5504 1 13 . 1 1 15 15 THR CB C 15 67.761 67.761 68.626 -0.865 18438 5505 1 13 . 1 1 15 15 THR H H 15 8.354 8.354 7.968 0.386 18438 5506 1 13 . 1 1 16 16 ILE N N 16 121.241 121.241 121.345 -0.104 18438 5507 1 13 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.746 -0.242 18438 5508 1 13 . 1 1 16 16 ILE C C 16 179.576 179.576 177.760 1.816 18438 5509 1 13 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.189 1.665 18438 5510 1 13 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.605 0.603 18438 5511 1 13 . 1 1 16 16 ILE H H 16 8.342 8.342 8.039 0.303 18438 5512 1 13 . 1 1 17 17 ARG N N 17 120.540 120.540 120.087 0.453 18438 5513 1 13 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.042 -0.060 18438 5514 1 13 . 1 1 17 17 ARG C C 17 178.482 178.482 178.303 0.179 18438 5515 1 13 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.282 0.245 18438 5516 1 13 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.130 0.172 18438 5517 1 13 . 1 1 17 17 ARG H H 17 8.496 8.496 7.855 0.641 18438 5518 1 13 . 1 1 18 18 ARG N N 18 118.955 118.955 118.742 0.213 18438 5519 1 13 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.123 -0.133 18438 5520 1 13 . 1 1 18 18 ARG C C 18 178.794 178.794 178.347 0.447 18438 5521 1 13 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.224 0.791 18438 5522 1 13 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.886 0.225 18438 5523 1 13 . 1 1 18 18 ARG H H 18 8.257 8.257 7.651 0.606 18438 5524 1 13 . 1 1 19 19 LEU N N 19 118.486 118.486 116.348 2.138 18438 5525 1 13 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.319 -0.266 18438 5526 1 13 . 1 1 19 19 LEU C C 19 179.419 179.419 177.572 1.847 18438 5527 1 13 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.435 1.667 18438 5528 1 13 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.643 -0.347 18438 5529 1 13 . 1 1 19 19 LEU H H 19 8.179 8.179 7.704 0.475 18438 5530 1 13 . 1 1 20 20 GLY N N 20 104.303 104.303 106.595 -2.292 18438 5531 1 13 . 1 1 20 20 GLY C C 20 175.200 175.200 175.002 0.198 18438 5532 1 13 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.571 1.914 18438 5533 1 13 . 1 1 20 20 GLY H H 20 7.520 7.520 7.757 -0.237 18438 5534 1 13 . 1 1 21 21 GLU N N 21 118.725 118.725 120.150 -1.425 18438 5535 1 13 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.321 -0.101 18438 5536 1 13 . 1 1 21 21 GLU C C 21 179.280 179.280 178.509 0.771 18438 5537 1 13 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.023 1.546 18438 5538 1 13 . 1 1 21 21 GLU CB C 21 29.980 29.980 29.745 0.235 18438 5539 1 13 . 1 1 21 21 GLU H H 21 8.674 8.674 7.740 0.934 18438 5540 1 13 . 1 1 22 22 ARG HA H 22 4.005 4.005 3.933 0.072 18438 5541 1 13 . 1 1 22 22 ARG C C 22 177.150 177.150 176.213 0.937 18438 5542 1 13 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.975 0.492 18438 5543 1 13 . 1 1 22 22 ARG CB C 22 29.953 29.953 29.347 0.606 18438 5544 1 13 . 1 1 23 23 ASN N N 23 114.707 114.707 115.312 -0.605 18438 5545 1 13 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.713 0.285 18438 5546 1 13 . 1 1 23 23 ASN C C 23 174.888 174.888 175.140 -0.252 18438 5547 1 13 . 1 1 23 23 ASN CA C 23 51.900 51.900 52.354 -0.454 18438 5548 1 13 . 1 1 23 23 ASN CB C 23 38.504 38.504 38.581 -0.077 18438 5549 1 13 . 1 1 23 23 ASN H H 23 8.662 8.662 8.207 0.455 18438 5550 1 13 . 1 1 24 24 GLY N N 24 104.147 104.147 108.267 -4.120 18438 5551 1 13 . 1 1 24 24 GLY C C 24 172.075 172.075 173.050 -0.975 18438 5552 1 13 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.730 -0.030 18438 5553 1 13 . 1 1 24 24 GLY H H 24 7.130 7.130 7.530 -0.400 18438 5554 1 13 . 1 1 25 25 SER N N 25 113.134 113.134 116.809 -3.675 18438 5555 1 13 . 1 1 25 25 SER HA H 25 5.329 5.329 4.771 0.558 18438 5556 1 13 . 1 1 25 25 SER C C 25 173.716 173.716 174.686 -0.970 18438 5557 1 13 . 1 1 25 25 SER CA C 25 57.259 57.259 57.359 -0.100 18438 5558 1 13 . 1 1 25 25 SER CB C 25 66.600 66.600 66.138 0.462 18438 5559 1 13 . 1 1 25 25 SER H H 25 8.661 8.661 8.255 0.406 18438 5560 1 13 . 1 1 26 26 SER N N 26 121.159 121.159 121.978 -0.819 18438 5561 1 13 . 1 1 26 26 SER HA H 26 4.962 4.962 4.617 0.345 18438 5562 1 13 . 1 1 26 26 SER C C 26 174.732 174.732 175.875 -1.143 18438 5563 1 13 . 1 1 26 26 SER CA C 26 56.600 56.600 58.851 -2.251 18438 5564 1 13 . 1 1 26 26 SER CB C 26 65.369 65.369 63.796 1.573 18438 5565 1 13 . 1 1 26 26 SER H H 26 8.841 8.841 9.036 -0.195 18438 5566 1 13 . 1 1 27 27 LEU N N 27 121.372 121.372 124.416 -3.044 18438 5567 1 13 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.148 -0.043 18438 5568 1 13 . 1 1 27 27 LEU C C 27 177.935 177.935 178.019 -0.084 18438 5569 1 13 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.395 0.432 18438 5570 1 13 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.012 -1.071 18438 5571 1 13 . 1 1 27 27 LEU H H 27 9.303 9.303 9.326 -0.023 18438 5572 1 13 . 1 1 28 28 ALA N N 28 119.606 119.606 119.423 0.183 18438 5573 1 13 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.043 0.119 18438 5574 1 13 . 1 1 28 28 ALA C C 28 180.279 180.279 179.308 0.971 18438 5575 1 13 . 1 1 28 28 ALA CA C 28 55.725 55.725 54.952 0.773 18438 5576 1 13 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.230 0.017 18438 5577 1 13 . 1 1 28 28 ALA H H 28 8.509 8.509 8.345 0.164 18438 5578 1 13 . 1 1 29 29 LYS N N 29 120.138 120.138 120.308 -0.170 18438 5579 1 13 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.163 -0.034 18438 5580 1 13 . 1 1 29 29 LYS C C 29 178.950 178.950 179.010 -0.060 18438 5581 1 13 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.779 -0.194 18438 5582 1 13 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.475 0.008 18438 5583 1 13 . 1 1 29 29 LYS H H 29 7.873 7.873 7.627 0.246 18438 5584 1 13 . 1 1 30 30 ILE N N 30 119.535 119.535 119.904 -0.369 18438 5585 1 13 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.679 -0.174 18438 5586 1 13 . 1 1 30 30 ILE C C 30 177.466 177.466 177.589 -0.123 18438 5587 1 13 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.446 -0.085 18438 5588 1 13 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.194 0.429 18438 5589 1 13 . 1 1 30 30 ILE H H 30 8.505 8.505 8.357 0.148 18438 5590 1 13 . 1 1 31 31 TYR N N 31 119.439 119.439 120.306 -0.867 18438 5591 1 13 . 1 1 31 31 TYR HA H 31 3.968 3.968 3.979 -0.011 18438 5592 1 13 . 1 1 31 31 TYR C C 31 175.513 175.513 177.517 -2.004 18438 5593 1 13 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.977 -1.077 18438 5594 1 13 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.416 -0.477 18438 5595 1 13 . 1 1 31 31 TYR H H 31 9.231 9.231 8.093 1.138 18438 5596 1 13 . 1 1 32 32 THR N N 32 113.378 113.378 113.855 -0.477 18438 5597 1 13 . 1 1 32 32 THR HA H 32 3.314 3.314 3.965 -0.651 18438 5598 1 13 . 1 1 32 32 THR C C 32 175.435 175.435 176.069 -0.634 18438 5599 1 13 . 1 1 32 32 THR CA C 32 66.900 66.900 66.226 0.674 18438 5600 1 13 . 1 1 32 32 THR CB C 32 68.631 68.631 68.351 0.280 18438 5601 1 13 . 1 1 32 32 THR H H 32 7.936 7.936 7.939 -0.003 18438 5602 1 13 . 1 1 33 33 GLU N N 33 117.565 117.565 118.456 -0.891 18438 5603 1 13 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.279 -0.229 18438 5604 1 13 . 1 1 33 33 GLU C C 33 178.716 178.716 178.372 0.344 18438 5605 1 13 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.004 -0.804 18438 5606 1 13 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.575 0.388 18438 5607 1 13 . 1 1 33 33 GLU H H 33 7.359 7.359 7.562 -0.203 18438 5608 1 13 . 1 1 34 34 ALA N N 34 124.323 124.323 122.167 2.156 18438 5609 1 13 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.860 -0.231 18438 5610 1 13 . 1 1 34 34 ALA C C 34 177.232 177.232 178.163 -0.931 18438 5611 1 13 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.100 0.554 18438 5612 1 13 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.424 -0.133 18438 5613 1 13 . 1 1 34 34 ALA H H 34 8.940 8.940 7.607 1.333 18438 5614 1 13 . 1 1 35 35 LYS N N 35 110.920 110.920 114.897 -3.977 18438 5615 1 13 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.376 -0.597 18438 5616 1 13 . 1 1 35 35 LYS C C 35 176.060 176.060 177.068 -1.008 18438 5617 1 13 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.465 -0.762 18438 5618 1 13 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.575 -0.777 18438 5619 1 13 . 1 1 35 35 LYS H H 35 7.277 7.277 7.492 -0.215 18438 5620 1 13 . 1 1 36 36 LYS N N 36 116.850 116.850 117.508 -0.658 18438 5621 1 13 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.058 -0.138 18438 5622 1 13 . 1 1 36 36 LYS C C 36 177.544 177.544 176.772 0.772 18438 5623 1 13 . 1 1 36 36 LYS CA C 36 56.783 56.783 57.186 -0.403 18438 5624 1 13 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.584 0.459 18438 5625 1 13 . 1 1 36 36 LYS H H 36 6.808 6.808 7.197 -0.389 18438 5626 1 13 . 1 1 37 37 VAL N N 37 120.331 120.331 119.357 0.974 18438 5627 1 13 . 1 1 37 37 VAL HA H 37 4.144 4.144 3.989 0.155 18438 5628 1 13 . 1 1 37 37 VAL C C 37 177.134 177.134 175.922 1.212 18438 5629 1 13 . 1 1 37 37 VAL CA C 37 60.228 60.228 60.163 0.066 18438 5630 1 13 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.899 0.162 18438 5631 1 13 . 1 1 37 37 VAL H H 37 7.413 7.413 7.029 0.384 18438 5632 1 13 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.326 -0.020 18438 5633 1 13 . 1 1 38 38 PRO C C 38 176.763 176.763 176.633 0.130 18438 5634 1 13 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.655 0.765 18438 5635 1 13 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.001 -0.040 18438 5636 1 13 . 1 1 39 39 TRP N N 39 110.211 110.211 116.976 -6.765 18438 5637 1 13 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.637 0.087 18438 5638 1 13 . 1 1 39 39 TRP C C 39 176.216 176.216 176.099 0.117 18438 5639 1 13 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.825 -2.325 18438 5640 1 13 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.661 0.266 18438 5641 1 13 . 1 1 39 39 TRP H H 39 6.356 6.356 7.340 -0.984 18438 5642 1 13 . 1 1 40 40 PHE N N 40 124.624 124.624 124.425 0.199 18438 5643 1 13 . 1 1 40 40 PHE HA H 40 3.696 3.696 3.996 -0.300 18438 5644 1 13 . 1 1 40 40 PHE C C 40 174.966 174.966 175.175 -0.209 18438 5645 1 13 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.695 1.513 18438 5646 1 13 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.590 0.188 18438 5647 1 13 . 1 1 40 40 PHE H H 40 7.282 7.282 6.994 0.288 18438 5648 1 13 . 1 1 41 41 ASP N N 41 127.204 127.204 128.668 -1.464 18438 5649 1 13 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.699 -0.057 18438 5650 1 13 . 1 1 41 41 ASP C C 41 175.904 175.904 176.380 -0.476 18438 5651 1 13 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.349 -0.020 18438 5652 1 13 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.632 -1.352 18438 5653 1 13 . 1 1 41 41 ASP H H 41 7.038 7.038 7.979 -0.941 18438 5654 1 13 . 1 1 42 42 GLN N N 42 125.531 125.531 124.382 1.149 18438 5655 1 13 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.183 -0.006 18438 5656 1 13 . 1 1 42 42 GLN C C 42 178.169 178.169 178.244 -0.075 18438 5657 1 13 . 1 1 42 42 GLN CA C 42 57.959 57.959 59.281 -1.321 18438 5658 1 13 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.802 -1.280 18438 5659 1 13 . 1 1 42 42 GLN H H 42 9.072 9.072 8.779 0.293 18438 5660 1 13 . 1 1 43 43 GLN N N 43 118.221 118.221 118.433 -0.212 18438 5661 1 13 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.076 0.251 18438 5662 1 13 . 1 1 43 43 GLN C C 43 177.154 177.154 178.420 -1.266 18438 5663 1 13 . 1 1 43 43 GLN CA C 43 58.141 58.141 58.648 -0.507 18438 5664 1 13 . 1 1 43 43 GLN CB C 43 29.254 29.254 28.542 0.712 18438 5665 1 13 . 1 1 43 43 GLN H H 43 8.356 8.356 8.426 -0.070 18438 5666 1 13 . 1 1 44 44 ASN N N 44 115.402 115.402 115.947 -0.545 18438 5667 1 13 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.413 0.318 18438 5668 1 13 . 1 1 44 44 ASN C C 44 175.200 175.200 176.904 -1.704 18438 5669 1 13 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.352 -1.752 18438 5670 1 13 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.440 2.619 18438 5671 1 13 . 1 1 44 44 ASN H H 44 8.163 8.163 8.338 -0.175 18438 5672 1 13 . 1 1 45 45 GLY N N 45 109.680 109.680 108.956 0.724 18438 5673 1 13 . 1 1 45 45 GLY C C 45 175.200 175.200 176.048 -0.848 18438 5674 1 13 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.508 1.692 18438 5675 1 13 . 1 1 45 45 GLY H H 45 8.094 8.094 7.978 0.116 18438 5676 1 13 . 1 1 46 46 ARG N N 46 121.367 121.367 120.929 0.438 18438 5677 1 13 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.400 -0.511 18438 5678 1 13 . 1 1 46 46 ARG C C 46 178.091 178.091 178.533 -0.442 18438 5679 1 13 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.195 1.675 18438 5680 1 13 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.531 -0.248 18438 5681 1 13 . 1 1 46 46 ARG H H 46 8.893 8.893 8.113 0.780 18438 5682 1 13 . 1 1 47 47 THR N N 47 116.630 116.630 116.805 -0.175 18438 5683 1 13 . 1 1 47 47 THR HA H 47 3.668 3.668 4.113 -0.445 18438 5684 1 13 . 1 1 47 47 THR C C 47 176.060 176.060 177.047 -0.987 18438 5685 1 13 . 1 1 47 47 THR CA C 47 66.345 66.345 66.707 -0.362 18438 5686 1 13 . 1 1 47 47 THR CB C 47 67.794 67.794 68.617 -0.823 18438 5687 1 13 . 1 1 47 47 THR H H 47 7.397 7.397 7.563 -0.166 18438 5688 1 13 . 1 1 48 48 TYR N N 48 120.826 120.826 120.886 -0.060 18438 5689 1 13 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.257 0.156 18438 5690 1 13 . 1 1 48 48 TYR C C 48 180.279 180.279 178.242 2.037 18438 5691 1 13 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.077 -1.157 18438 5692 1 13 . 1 1 48 48 TYR CB C 48 35.100 35.100 37.110 -2.010 18438 5693 1 13 . 1 1 48 48 TYR H H 48 7.529 7.529 7.695 -0.166 18438 5694 1 13 . 1 1 49 49 LEU N N 49 120.670 120.670 119.439 1.231 18438 5695 1 13 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.088 -0.025 18438 5696 1 13 . 1 1 49 49 LEU C C 49 178.091 178.091 179.022 -0.931 18438 5697 1 13 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.935 0.324 18438 5698 1 13 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.584 0.675 18438 5699 1 13 . 1 1 49 49 LEU H H 49 8.847 8.847 8.688 0.159 18438 5700 1 13 . 1 1 50 50 LYS N N 50 119.596 119.596 120.360 -0.764 18438 5701 1 13 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.829 -0.059 18438 5702 1 13 . 1 1 50 50 LYS C C 50 179.263 179.263 178.937 0.326 18438 5703 1 13 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.773 0.865 18438 5704 1 13 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.262 -0.264 18438 5705 1 13 . 1 1 50 50 LYS H H 50 8.001 8.001 7.733 0.268 18438 5706 1 13 . 1 1 51 51 TYR N N 51 118.606 118.606 118.139 0.467 18438 5707 1 13 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.325 -0.026 18438 5708 1 13 . 1 1 51 51 TYR C C 51 179.107 179.107 178.477 0.630 18438 5709 1 13 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.143 -0.905 18438 5710 1 13 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.354 -1.017 18438 5711 1 13 . 1 1 51 51 TYR H H 51 8.274 8.274 8.175 0.099 18438 5712 1 13 . 1 1 52 52 SER N N 52 117.699 117.699 117.562 0.137 18438 5713 1 13 . 1 1 52 52 SER HA H 52 4.227 4.227 4.163 0.064 18438 5714 1 13 . 1 1 52 52 SER C C 52 175.669 175.669 176.520 -0.851 18438 5715 1 13 . 1 1 52 52 SER CA C 52 63.312 63.312 62.782 0.530 18438 5716 1 13 . 1 1 52 52 SER CB C 52 63.520 63.520 63.123 0.397 18438 5717 1 13 . 1 1 52 52 SER H H 52 8.303 8.303 8.217 0.086 18438 5718 1 13 . 1 1 53 53 ILE N N 53 121.571 121.571 122.676 -1.105 18438 5719 1 13 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.458 -0.177 18438 5720 1 13 . 1 1 53 53 ILE C C 53 176.685 176.685 177.326 -0.641 18438 5721 1 13 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.689 0.350 18438 5722 1 13 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.481 0.041 18438 5723 1 13 . 1 1 53 53 ILE H H 53 8.543 8.543 8.133 0.410 18438 5724 1 13 . 1 1 54 54 LYS N N 54 117.799 117.799 119.771 -1.972 18438 5725 1 13 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.832 0.045 18438 5726 1 13 . 1 1 54 54 LYS C C 54 179.107 179.107 178.844 0.263 18438 5727 1 13 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.804 0.048 18438 5728 1 13 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.277 -0.263 18438 5729 1 13 . 1 1 54 54 LYS H H 54 7.572 7.572 7.816 -0.244 18438 5730 1 13 . 1 1 55 55 ALA N N 55 121.284 121.284 121.247 0.037 18438 5731 1 13 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.199 -0.084 18438 5732 1 13 . 1 1 55 55 ALA C C 55 180.201 180.201 180.054 0.147 18438 5733 1 13 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.804 0.193 18438 5734 1 13 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.435 -0.515 18438 5735 1 13 . 1 1 55 55 ALA H H 55 7.669 7.669 7.813 -0.144 18438 5736 1 13 . 1 1 56 56 LEU N N 56 119.236 119.236 118.334 0.902 18438 5737 1 13 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.135 0.285 18438 5738 1 13 . 1 1 56 56 LEU C C 56 179.966 179.966 178.470 1.496 18438 5739 1 13 . 1 1 56 56 LEU CA C 56 56.094 56.094 56.916 -0.822 18438 5740 1 13 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.715 0.646 18438 5741 1 13 . 1 1 56 56 LEU H H 56 8.302 8.302 8.000 0.302 18438 5742 1 13 . 1 1 57 57 VAL N N 57 122.357 122.357 119.585 2.772 18438 5743 1 13 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.038 0.329 18438 5744 1 13 . 1 1 57 57 VAL C C 57 180.669 180.669 178.833 1.836 18438 5745 1 13 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.294 -0.188 18438 5746 1 13 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.000 1.006 18438 5747 1 13 . 1 1 57 57 VAL H H 57 8.555 8.555 8.049 0.506 18438 5748 1 13 . 1 1 58 58 GLN N N 58 120.472 120.472 118.231 2.241 18438 5749 1 13 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.183 -0.058 18438 5750 1 13 . 1 1 58 58 GLN C C 58 177.154 177.154 177.545 -0.391 18438 5751 1 13 . 1 1 58 58 GLN CA C 58 58.820 58.820 57.973 0.847 18438 5752 1 13 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.586 -0.386 18438 5753 1 13 . 1 1 58 58 GLN H H 58 8.078 8.078 7.560 0.518 18438 5754 1 13 . 1 1 59 59 ASN N N 59 114.176 114.176 117.143 -2.967 18438 5755 1 13 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.749 0.130 18438 5756 1 13 . 1 1 59 59 ASN C C 59 175.122 175.122 174.245 0.877 18438 5757 1 13 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.861 -2.280 18438 5758 1 13 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.023 -1.327 18438 5759 1 13 . 1 1 59 59 ASN H H 59 7.704 7.704 7.947 -0.243 18438 5760 1 13 . 1 1 60 60 ASP N N 60 113.376 113.376 114.608 -1.232 18438 5761 1 13 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.402 0.061 18438 5762 1 13 . 1 1 60 60 ASP C C 60 175.279 175.279 176.167 -0.888 18438 5763 1 13 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.605 0.467 18438 5764 1 13 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.740 1.169 18438 5765 1 13 . 1 1 60 60 ASP H H 60 7.900 7.900 8.234 -0.334 18438 5766 1 13 . 1 1 61 61 THR N N 61 117.382 117.382 112.970 4.412 18438 5767 1 13 . 1 1 61 61 THR HA H 61 4.097 4.097 4.143 -0.046 18438 5768 1 13 . 1 1 61 61 THR C C 61 174.966 174.966 173.891 1.075 18438 5769 1 13 . 1 1 61 61 THR CA C 61 67.141 67.141 66.006 1.135 18438 5770 1 13 . 1 1 61 61 THR CB C 61 68.143 68.143 69.754 -1.611 18438 5771 1 13 . 1 1 61 61 THR H H 61 8.776 8.776 8.292 0.484 18438 5772 1 13 . 1 1 62 62 LEU N N 62 118.406 118.406 120.001 -1.595 18438 5773 1 13 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.365 -0.202 18438 5774 1 13 . 1 1 62 62 LEU C C 62 175.122 175.122 175.412 -0.290 18438 5775 1 13 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.306 -1.464 18438 5776 1 13 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.515 -0.050 18438 5777 1 13 . 1 1 62 62 LEU H H 62 7.653 7.653 7.689 -0.036 18438 5778 1 13 . 1 1 63 63 LEU N N 63 119.075 119.075 122.240 -3.165 18438 5779 1 13 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.795 -0.145 18438 5780 1 13 . 1 1 63 63 LEU C C 63 175.904 175.904 175.564 0.340 18438 5781 1 13 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.739 -0.715 18438 5782 1 13 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.659 0.382 18438 5783 1 13 . 1 1 63 63 LEU H H 63 9.145 9.145 8.734 0.411 18438 5784 1 13 . 1 1 64 64 GLN N N 64 123.978 123.978 123.854 0.124 18438 5785 1 13 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.593 -0.017 18438 5786 1 13 . 1 1 64 64 GLN C C 64 175.435 175.435 175.376 0.059 18438 5787 1 13 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.617 -0.591 18438 5788 1 13 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.675 0.581 18438 5789 1 13 . 1 1 64 64 GLN H H 64 8.995 8.995 8.809 0.186 18438 5790 1 13 . 1 1 65 65 VAL N N 65 126.750 126.750 129.047 -2.297 18438 5791 1 13 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.319 -0.294 18438 5792 1 13 . 1 1 65 65 VAL C C 65 175.747 175.747 174.309 1.438 18438 5793 1 13 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.461 0.459 18438 5794 1 13 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.459 1.042 18438 5795 1 13 . 1 1 65 65 VAL H H 65 8.520 8.520 8.743 -0.223 18438 5796 1 13 . 1 1 66 66 LYS N N 66 124.150 124.150 125.460 -1.310 18438 5797 1 13 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.625 -0.413 18438 5798 1 13 . 1 1 66 66 LYS C C 66 176.607 176.607 177.625 -1.018 18438 5799 1 13 . 1 1 66 66 LYS CA C 66 56.776 56.776 54.689 2.087 18438 5800 1 13 . 1 1 66 66 LYS CB C 66 33.019 33.019 33.250 -0.231 18438 5801 1 13 . 1 1 66 66 LYS H H 66 8.311 8.311 8.110 0.201 18438 5802 1 13 . 1 1 67 67 GLY N N 67 109.952 109.952 110.682 -0.730 18438 5803 1 13 . 1 1 67 67 GLY C C 67 173.716 173.716 175.339 -1.623 18438 5804 1 13 . 1 1 67 67 GLY CA C 67 44.902 44.902 46.089 -1.187 18438 5805 1 13 . 1 1 67 67 GLY H H 67 8.401 8.401 8.517 -0.116 18438 5806 1 13 . 1 1 68 68 THR N N 68 111.619 111.619 114.120 -2.501 18438 5807 1 13 . 1 1 68 68 THR HA H 68 4.399 4.399 4.463 -0.064 18438 5808 1 13 . 1 1 68 68 THR C C 68 175.279 175.279 174.853 0.426 18438 5809 1 13 . 1 1 68 68 THR CA C 68 61.243 61.243 61.728 -0.485 18438 5810 1 13 . 1 1 68 68 THR CB C 68 69.860 69.860 68.796 1.064 18438 5811 1 13 . 1 1 68 68 THR H H 68 8.032 8.032 7.965 0.067 18438 5812 1 13 . 1 1 69 69 GLY N N 69 111.951 111.951 109.515 2.436 18438 5813 1 13 . 1 1 69 69 GLY C C 69 174.572 174.572 173.318 1.254 18438 5814 1 13 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.472 1.108 18438 5815 1 13 . 1 1 69 69 GLY H H 69 8.581 8.581 7.509 1.072 18438 5816 1 13 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.902 0.400 18438 5817 1 13 . 1 1 70 70 ALA C C 70 177.774 177.774 177.704 0.070 18438 5818 1 13 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.397 0.664 18438 5819 1 13 . 1 1 70 70 ALA CB C 70 18.921 18.921 18.476 0.445 18438 5820 1 13 . 1 1 71 71 ASN N N 71 115.782 115.782 114.716 1.066 18438 5821 1 13 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.378 0.502 18438 5822 1 13 . 1 1 71 71 ASN C C 71 174.966 174.966 174.208 0.758 18438 5823 1 13 . 1 1 71 71 ASN CA C 71 52.744 52.744 54.971 -2.227 18438 5824 1 13 . 1 1 71 71 ASN CB C 71 39.217 39.217 37.718 1.499 18438 5825 1 13 . 1 1 71 71 ASN H H 71 8.151 8.151 8.530 -0.379 18438 5826 1 13 . 1 1 72 72 GLY N N 72 107.783 107.783 106.931 0.852 18438 5827 1 13 . 1 1 72 72 GLY C C 72 172.700 172.700 172.743 -0.043 18438 5828 1 13 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.961 -0.059 18438 5829 1 13 . 1 1 72 72 GLY H H 72 8.051 8.051 7.649 0.402 18438 5830 1 13 . 1 1 73 73 SER N N 73 114.063 114.063 120.898 -6.835 18438 5831 1 13 . 1 1 73 73 SER HA H 73 4.484 4.484 4.435 0.049 18438 5832 1 13 . 1 1 73 73 SER C C 73 172.480 172.480 172.672 -0.192 18438 5833 1 13 . 1 1 73 73 SER CA C 73 56.717 56.717 57.217 -0.499 18438 5834 1 13 . 1 1 73 73 SER CB C 73 65.043 65.043 64.209 0.834 18438 5835 1 13 . 1 1 73 73 SER H H 73 7.761 7.761 8.368 -0.607 18438 5836 1 13 . 1 1 74 74 PHE N N 74 119.449 119.449 123.312 -3.863 18438 5837 1 13 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.429 0.053 18438 5838 1 13 . 1 1 74 74 PHE C C 74 174.185 174.185 175.716 -1.531 18438 5839 1 13 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.425 1.036 18438 5840 1 13 . 1 1 74 74 PHE CB C 74 43.011 43.011 41.749 1.262 18438 5841 1 13 . 1 1 74 74 PHE H H 74 8.489 8.489 8.571 -0.082 18438 5842 1 13 . 1 1 75 75 LYS N N 75 119.294 119.294 121.726 -2.432 18438 5843 1 13 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.837 0.122 18438 5844 1 13 . 1 1 75 75 LYS C C 75 175.669 175.669 174.768 0.901 18438 5845 1 13 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.103 -0.699 18438 5846 1 13 . 1 1 75 75 LYS CB C 75 37.239 37.239 35.955 1.284 18438 5847 1 13 . 1 1 75 75 LYS H H 75 8.894 8.894 8.452 0.442 18438 5848 1 13 . 1 1 76 76 LEU N N 76 121.201 121.201 120.736 0.465 18438 5849 1 13 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.622 -0.250 18438 5850 1 13 . 1 1 76 76 LEU C C 76 177.075 177.075 177.334 -0.259 18438 5851 1 13 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.970 0.808 18438 5852 1 13 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.459 -0.818 18438 5853 1 13 . 1 1 76 76 LEU H H 76 9.023 9.023 8.633 0.390 18438 5854 1 13 . 1 1 77 77 ASN N N 77 120.222 120.222 121.862 -1.640 18438 5855 1 13 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.672 0.001 18438 5856 1 13 . 1 1 77 77 ASN C C 77 175.669 175.669 175.536 0.133 18438 5857 1 13 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.370 -1.568 18438 5858 1 13 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.267 -0.404 18438 5859 1 13 . 1 1 77 77 ASN H H 77 8.333 8.333 8.480 -0.147 18438 5860 1 13 . 1 1 78 78 ARG N N 78 125.225 125.225 126.733 -1.508 18438 5861 1 13 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.418 -0.205 18438 5862 1 13 . 1 1 78 78 ARG C C 78 176.607 176.607 176.809 -0.202 18438 5863 1 13 . 1 1 78 78 ARG CA C 78 57.376 57.376 56.359 1.016 18438 5864 1 13 . 1 1 78 78 ARG CB C 78 30.041 30.041 31.107 -1.066 18438 5865 1 13 . 1 1 78 78 ARG H H 78 8.373 8.373 8.310 0.063 18438 5866 1 13 . 1 1 79 79 LYS N N 79 119.831 119.831 120.347 -0.516 18438 5867 1 13 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.565 -0.360 18438 5868 1 13 . 1 1 79 79 LYS C C 79 177.075 177.075 175.654 1.421 18438 5869 1 13 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.448 1.695 18438 5870 1 13 . 1 1 79 79 LYS CB C 79 32.341 32.341 32.406 -0.065 18438 5871 1 13 . 1 1 79 79 LYS H H 79 8.095 8.095 7.846 0.249 18438 5872 1 13 . 1 1 80 80 LYS N N 80 119.767 119.767 120.899 -1.132 18438 5873 1 13 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.064 0.240 18438 5874 1 13 . 1 1 80 80 LYS C C 80 176.607 176.607 177.959 -1.352 18438 5875 1 13 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.218 -2.133 18438 5876 1 13 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.790 1.227 18438 5877 1 13 . 1 1 80 80 LYS H H 80 7.671 7.671 8.498 -0.827 18438 5878 1 13 . 1 1 81 81 LEU N N 81 121.868 121.868 118.967 2.901 18438 5879 1 13 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.073 0.284 18438 5880 1 13 . 1 1 81 81 LEU C C 81 177.214 177.214 178.344 -1.130 18438 5881 1 13 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.021 -1.650 18438 5882 1 13 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.674 0.813 18438 5883 1 13 . 1 1 81 81 LEU H H 81 7.996 7.996 8.003 -0.007 18438 5884 1 13 . 1 1 82 82 GLU N N 82 120.499 120.499 116.848 3.651 18438 5885 1 13 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.528 -0.186 18438 5886 1 13 . 1 1 82 82 GLU C C 82 175.875 175.875 177.166 -1.291 18438 5887 1 13 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.469 -0.138 18438 5888 1 13 . 1 1 82 82 GLU CB C 82 30.322 30.322 31.509 -1.187 18438 5889 1 13 . 1 1 82 82 GLU H H 82 8.262 8.262 7.751 0.511 18438 5890 1 14 . 1 1 3 3 MET HA H 3 4.270 4.270 4.245 0.025 18438 5891 1 14 . 1 1 3 3 MET C C 3 175.362 175.362 175.161 0.201 18438 5892 1 14 . 1 1 3 3 MET CA C 3 55.318 55.318 56.315 -0.997 18438 5893 1 14 . 1 1 3 3 MET CB C 3 32.724 32.724 32.340 0.384 18438 5894 1 14 . 1 1 4 4 GLN N N 4 122.983 122.983 120.365 2.618 18438 5895 1 14 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.605 -0.042 18438 5896 1 14 . 1 1 4 4 GLN C C 4 173.835 173.835 174.305 -0.470 18438 5897 1 14 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.262 -0.741 18438 5898 1 14 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.790 -0.025 18438 5899 1 14 . 1 1 4 4 GLN H H 4 8.267 8.267 8.669 -0.402 18438 5900 1 14 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.314 -0.346 18438 5901 1 14 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.947 1.046 18438 5902 1 14 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.844 -0.148 18438 5903 1 14 . 1 1 6 6 GLY C C 6 175.512 175.512 174.418 1.094 18438 5904 1 14 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.551 1.485 18438 5905 1 14 . 1 1 7 7 LYS N N 7 121.187 121.187 123.222 -2.035 18438 5906 1 14 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.993 0.159 18438 5907 1 14 . 1 1 7 7 LYS C C 7 179.107 179.107 177.577 1.530 18438 5908 1 14 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.456 -0.501 18438 5909 1 14 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.425 -0.784 18438 5910 1 14 . 1 1 7 7 LYS H H 7 7.788 7.788 7.791 -0.003 18438 5911 1 14 . 1 1 8 8 TYR N N 8 119.428 119.428 117.865 1.563 18438 5912 1 14 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.586 -0.284 18438 5913 1 14 . 1 1 8 8 TYR C C 8 177.544 177.544 178.113 -0.569 18438 5914 1 14 . 1 1 8 8 TYR CA C 8 63.600 63.600 60.874 2.726 18438 5915 1 14 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.907 0.263 18438 5916 1 14 . 1 1 8 8 TYR H H 8 8.197 8.197 8.380 -0.183 18438 5917 1 14 . 1 1 9 9 SER N N 9 116.845 116.845 115.300 1.545 18438 5918 1 14 . 1 1 9 9 SER HA H 9 4.241 4.241 4.150 0.091 18438 5919 1 14 . 1 1 9 9 SER C C 9 175.982 175.982 176.617 -0.635 18438 5920 1 14 . 1 1 9 9 SER CA C 9 62.258 62.258 62.032 0.226 18438 5921 1 14 . 1 1 9 9 SER CB C 9 62.254 62.254 62.893 -0.639 18438 5922 1 14 . 1 1 9 9 SER H H 9 8.279 8.279 7.944 0.335 18438 5923 1 14 . 1 1 10 10 GLN N N 10 120.862 120.862 121.660 -0.798 18438 5924 1 14 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.156 -0.070 18438 5925 1 14 . 1 1 10 10 GLN C C 10 177.779 177.779 178.618 -0.839 18438 5926 1 14 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.018 0.724 18438 5927 1 14 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.223 -0.323 18438 5928 1 14 . 1 1 10 10 GLN H H 10 7.765 7.765 7.606 0.159 18438 5929 1 14 . 1 1 11 11 LEU N N 11 119.752 119.752 122.123 -2.371 18438 5930 1 14 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.183 0.211 18438 5931 1 14 . 1 1 11 11 LEU C C 11 180.357 180.357 178.845 1.512 18438 5932 1 14 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.845 -0.130 18438 5933 1 14 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.916 0.022 18438 5934 1 14 . 1 1 11 11 LEU H H 11 7.805 7.805 8.245 -0.440 18438 5935 1 14 . 1 1 12 12 VAL N N 12 122.619 122.619 118.794 3.825 18438 5936 1 14 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.486 -0.155 18438 5937 1 14 . 1 1 12 12 VAL C C 12 176.841 176.841 178.105 -1.264 18438 5938 1 14 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.065 1.352 18438 5939 1 14 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.637 -0.318 18438 5940 1 14 . 1 1 12 12 VAL H H 12 8.355 8.355 7.653 0.702 18438 5941 1 14 . 1 1 13 13 VAL N N 13 118.472 118.472 119.844 -1.372 18438 5942 1 14 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.506 -0.112 18438 5943 1 14 . 1 1 13 13 VAL C C 13 177.622 177.622 178.093 -0.471 18438 5944 1 14 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.076 0.691 18438 5945 1 14 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.513 0.391 18438 5946 1 14 . 1 1 13 13 VAL H H 13 7.636 7.636 7.716 -0.080 18438 5947 1 14 . 1 1 14 14 GLU N N 14 117.137 117.137 118.880 -1.743 18438 5948 1 14 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.017 0.057 18438 5949 1 14 . 1 1 14 14 GLU C C 14 179.576 179.576 179.298 0.278 18438 5950 1 14 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.611 -0.782 18438 5951 1 14 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.471 -0.071 18438 5952 1 14 . 1 1 14 14 GLU H H 14 8.642 8.642 8.072 0.570 18438 5953 1 14 . 1 1 15 15 THR N N 15 116.678 116.678 116.893 -0.215 18438 5954 1 14 . 1 1 15 15 THR HA H 15 3.859 3.859 4.028 -0.169 18438 5955 1 14 . 1 1 15 15 THR C C 15 175.669 175.669 176.442 -0.773 18438 5956 1 14 . 1 1 15 15 THR CA C 15 67.743 67.743 67.505 0.238 18438 5957 1 14 . 1 1 15 15 THR CB C 15 67.761 67.761 68.513 -0.751 18438 5958 1 14 . 1 1 15 15 THR H H 15 8.354 8.354 8.082 0.272 18438 5959 1 14 . 1 1 16 16 ILE N N 16 121.241 121.241 121.080 0.161 18438 5960 1 14 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.664 -0.160 18438 5961 1 14 . 1 1 16 16 ILE C C 16 179.576 179.576 177.815 1.761 18438 5962 1 14 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.217 1.637 18438 5963 1 14 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.458 0.750 18438 5964 1 14 . 1 1 16 16 ILE H H 16 8.342 8.342 8.088 0.254 18438 5965 1 14 . 1 1 17 17 ARG N N 17 120.540 120.540 119.627 0.913 18438 5966 1 14 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.057 -0.075 18438 5967 1 14 . 1 1 17 17 ARG C C 17 178.482 178.482 178.661 -0.179 18438 5968 1 14 . 1 1 17 17 ARG CA C 17 59.527 59.527 58.965 0.562 18438 5969 1 14 . 1 1 17 17 ARG CB C 17 30.302 30.302 29.982 0.320 18438 5970 1 14 . 1 1 17 17 ARG H H 17 8.496 8.496 7.794 0.702 18438 5971 1 14 . 1 1 18 18 ARG N N 18 118.955 118.955 118.256 0.699 18438 5972 1 14 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.131 -0.141 18438 5973 1 14 . 1 1 18 18 ARG C C 18 178.794 178.794 178.974 -0.180 18438 5974 1 14 . 1 1 18 18 ARG CA C 18 59.015 59.015 57.942 1.073 18438 5975 1 14 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.989 0.122 18438 5976 1 14 . 1 1 18 18 ARG H H 18 8.257 8.257 7.877 0.380 18438 5977 1 14 . 1 1 19 19 LEU N N 19 118.486 118.486 117.583 0.903 18438 5978 1 14 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.187 -0.134 18438 5979 1 14 . 1 1 19 19 LEU C C 19 179.419 179.419 177.997 1.422 18438 5980 1 14 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.833 1.269 18438 5981 1 14 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.447 -0.151 18438 5982 1 14 . 1 1 19 19 LEU H H 19 8.179 8.179 8.020 0.159 18438 5983 1 14 . 1 1 20 20 GLY N N 20 104.303 104.303 106.316 -2.013 18438 5984 1 14 . 1 1 20 20 GLY C C 20 175.200 175.200 174.818 0.382 18438 5985 1 14 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.461 2.024 18438 5986 1 14 . 1 1 20 20 GLY H H 20 7.520 7.520 7.744 -0.224 18438 5987 1 14 . 1 1 21 21 GLU N N 21 118.725 118.725 120.030 -1.305 18438 5988 1 14 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.274 -0.054 18438 5989 1 14 . 1 1 21 21 GLU C C 21 179.280 179.280 176.861 2.419 18438 5990 1 14 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.085 1.484 18438 5991 1 14 . 1 1 21 21 GLU CB C 21 29.980 29.980 29.776 0.204 18438 5992 1 14 . 1 1 21 21 GLU H H 21 8.674 8.674 7.789 0.885 18438 5993 1 14 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.106 -0.101 18438 5994 1 14 . 1 1 22 22 ARG C C 22 177.150 177.150 177.492 -0.342 18438 5995 1 14 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.824 0.643 18438 5996 1 14 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.496 -0.543 18438 5997 1 14 . 1 1 23 23 ASN N N 23 114.707 114.707 115.645 -0.938 18438 5998 1 14 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.644 0.354 18438 5999 1 14 . 1 1 23 23 ASN C C 23 174.888 174.888 175.236 -0.348 18438 6000 1 14 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.724 -1.824 18438 6001 1 14 . 1 1 23 23 ASN CB C 23 38.504 38.504 39.840 -1.336 18438 6002 1 14 . 1 1 23 23 ASN H H 23 8.662 8.662 8.019 0.643 18438 6003 1 14 . 1 1 24 24 GLY N N 24 104.147 104.147 106.021 -1.874 18438 6004 1 14 . 1 1 24 24 GLY C C 24 172.075 172.075 172.639 -0.564 18438 6005 1 14 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.415 0.285 18438 6006 1 14 . 1 1 24 24 GLY H H 24 7.130 7.130 8.030 -0.900 18438 6007 1 14 . 1 1 25 25 SER N N 25 113.134 113.134 116.577 -3.443 18438 6008 1 14 . 1 1 25 25 SER HA H 25 5.329 5.329 4.805 0.524 18438 6009 1 14 . 1 1 25 25 SER C C 25 173.716 173.716 174.993 -1.277 18438 6010 1 14 . 1 1 25 25 SER CA C 25 57.259 57.259 55.455 1.804 18438 6011 1 14 . 1 1 25 25 SER CB C 25 66.600 66.600 64.951 1.649 18438 6012 1 14 . 1 1 25 25 SER H H 25 8.661 8.661 8.464 0.197 18438 6013 1 14 . 1 1 26 26 SER N N 26 121.159 121.159 123.856 -2.697 18438 6014 1 14 . 1 1 26 26 SER HA H 26 4.962 4.962 4.586 0.376 18438 6015 1 14 . 1 1 26 26 SER C C 26 174.732 174.732 175.733 -1.001 18438 6016 1 14 . 1 1 26 26 SER CA C 26 56.600 56.600 58.354 -1.754 18438 6017 1 14 . 1 1 26 26 SER CB C 26 65.369 65.369 64.188 1.181 18438 6018 1 14 . 1 1 26 26 SER H H 26 8.841 8.841 8.886 -0.045 18438 6019 1 14 . 1 1 27 27 LEU N N 27 121.372 121.372 123.857 -2.485 18438 6020 1 14 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.196 -0.091 18438 6021 1 14 . 1 1 27 27 LEU C C 27 177.935 177.935 178.038 -0.103 18438 6022 1 14 . 1 1 27 27 LEU CA C 27 58.827 58.827 57.794 1.033 18438 6023 1 14 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.836 -0.895 18438 6024 1 14 . 1 1 27 27 LEU H H 27 9.303 9.303 8.306 0.997 18438 6025 1 14 . 1 1 28 28 ALA N N 28 119.606 119.606 121.144 -1.538 18438 6026 1 14 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.035 0.127 18438 6027 1 14 . 1 1 28 28 ALA C C 28 180.279 180.279 179.399 0.880 18438 6028 1 14 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.243 0.482 18438 6029 1 14 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.112 0.135 18438 6030 1 14 . 1 1 28 28 ALA H H 28 8.509 8.509 8.202 0.307 18438 6031 1 14 . 1 1 29 29 LYS N N 29 120.138 120.138 119.852 0.286 18438 6032 1 14 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.185 -0.056 18438 6033 1 14 . 1 1 29 29 LYS C C 29 178.950 178.950 178.985 -0.035 18438 6034 1 14 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.388 0.197 18438 6035 1 14 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.260 0.223 18438 6036 1 14 . 1 1 29 29 LYS H H 29 7.873 7.873 7.534 0.339 18438 6037 1 14 . 1 1 30 30 ILE N N 30 119.535 119.535 119.579 -0.044 18438 6038 1 14 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.670 -0.165 18438 6039 1 14 . 1 1 30 30 ILE C C 30 177.466 177.466 177.709 -0.243 18438 6040 1 14 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.655 -0.294 18438 6041 1 14 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.026 0.596 18438 6042 1 14 . 1 1 30 30 ILE H H 30 8.505 8.505 8.350 0.155 18438 6043 1 14 . 1 1 31 31 TYR N N 31 119.439 119.439 121.014 -1.575 18438 6044 1 14 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.024 -0.056 18438 6045 1 14 . 1 1 31 31 TYR C C 31 175.513 175.513 177.494 -1.981 18438 6046 1 14 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.088 -1.188 18438 6047 1 14 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.287 -0.348 18438 6048 1 14 . 1 1 31 31 TYR H H 31 9.231 9.231 7.927 1.304 18438 6049 1 14 . 1 1 32 32 THR N N 32 113.378 113.378 113.942 -0.564 18438 6050 1 14 . 1 1 32 32 THR HA H 32 3.314 3.314 3.847 -0.533 18438 6051 1 14 . 1 1 32 32 THR C C 32 175.435 175.435 175.888 -0.453 18438 6052 1 14 . 1 1 32 32 THR CA C 32 66.900 66.900 66.068 0.832 18438 6053 1 14 . 1 1 32 32 THR CB C 32 68.631 68.631 68.654 -0.023 18438 6054 1 14 . 1 1 32 32 THR H H 32 7.936 7.936 8.080 -0.144 18438 6055 1 14 . 1 1 33 33 GLU N N 33 117.565 117.565 118.287 -0.722 18438 6056 1 14 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.311 -0.261 18438 6057 1 14 . 1 1 33 33 GLU C C 33 178.716 178.716 178.066 0.650 18438 6058 1 14 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.778 -0.578 18438 6059 1 14 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.866 0.097 18438 6060 1 14 . 1 1 33 33 GLU H H 33 7.359 7.359 7.549 -0.190 18438 6061 1 14 . 1 1 34 34 ALA N N 34 124.323 124.323 120.986 3.337 18438 6062 1 14 . 1 1 34 34 ALA HA H 34 3.629 3.629 4.036 -0.407 18438 6063 1 14 . 1 1 34 34 ALA C C 34 177.232 177.232 177.313 -0.081 18438 6064 1 14 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.161 1.493 18438 6065 1 14 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.553 -0.262 18438 6066 1 14 . 1 1 34 34 ALA H H 34 8.940 8.940 7.840 1.100 18438 6067 1 14 . 1 1 35 35 LYS N N 35 110.920 110.920 115.512 -4.592 18438 6068 1 14 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.728 0.051 18438 6069 1 14 . 1 1 35 35 LYS C C 35 176.060 176.060 177.342 -1.282 18438 6070 1 14 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.816 -0.112 18438 6071 1 14 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.852 -1.054 18438 6072 1 14 . 1 1 35 35 LYS H H 35 7.277 7.277 7.441 -0.164 18438 6073 1 14 . 1 1 36 36 LYS N N 36 116.850 116.850 122.236 -5.386 18438 6074 1 14 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.196 -0.276 18438 6075 1 14 . 1 1 36 36 LYS C C 36 177.544 177.544 175.130 2.414 18438 6076 1 14 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.160 0.623 18438 6077 1 14 . 1 1 36 36 LYS CB C 36 33.044 33.044 31.471 1.573 18438 6078 1 14 . 1 1 36 36 LYS H H 36 6.808 6.808 7.370 -0.562 18438 6079 1 14 . 1 1 37 37 VAL N N 37 120.331 120.331 118.900 1.431 18438 6080 1 14 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.434 -0.290 18438 6081 1 14 . 1 1 37 37 VAL C C 37 177.134 177.134 175.459 1.675 18438 6082 1 14 . 1 1 37 37 VAL CA C 37 60.228 60.228 57.859 2.369 18438 6083 1 14 . 1 1 37 37 VAL CB C 37 31.061 31.061 32.205 -1.144 18438 6084 1 14 . 1 1 37 37 VAL H H 37 7.413 7.413 7.214 0.199 18438 6085 1 14 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.406 -0.100 18438 6086 1 14 . 1 1 38 38 PRO C C 38 176.763 176.763 176.718 0.045 18438 6087 1 14 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.674 0.746 18438 6088 1 14 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.081 -0.120 18438 6089 1 14 . 1 1 39 39 TRP N N 39 110.211 110.211 116.997 -6.786 18438 6090 1 14 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.755 -0.031 18438 6091 1 14 . 1 1 39 39 TRP C C 39 176.216 176.216 175.420 0.796 18438 6092 1 14 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.596 -1.097 18438 6093 1 14 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.829 0.098 18438 6094 1 14 . 1 1 39 39 TRP H H 39 6.356 6.356 7.478 -1.122 18438 6095 1 14 . 1 1 40 40 PHE N N 40 124.624 124.624 122.788 1.836 18438 6096 1 14 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.241 -0.545 18438 6097 1 14 . 1 1 40 40 PHE C C 40 174.966 174.966 174.754 0.212 18438 6098 1 14 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.334 1.874 18438 6099 1 14 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.969 -0.191 18438 6100 1 14 . 1 1 40 40 PHE H H 40 7.282 7.282 7.079 0.203 18438 6101 1 14 . 1 1 41 41 ASP N N 41 127.204 127.204 126.050 1.154 18438 6102 1 14 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.690 -0.048 18438 6103 1 14 . 1 1 41 41 ASP C C 41 175.904 175.904 176.079 -0.175 18438 6104 1 14 . 1 1 41 41 ASP CA C 41 53.329 53.329 52.810 0.519 18438 6105 1 14 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.362 -1.082 18438 6106 1 14 . 1 1 41 41 ASP H H 41 7.038 7.038 8.057 -1.019 18438 6107 1 14 . 1 1 42 42 GLN N N 42 125.531 125.531 123.595 1.936 18438 6108 1 14 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.421 -0.244 18438 6109 1 14 . 1 1 42 42 GLN C C 42 178.169 178.169 177.147 1.022 18438 6110 1 14 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.738 0.221 18438 6111 1 14 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.777 -1.255 18438 6112 1 14 . 1 1 42 42 GLN H H 42 9.072 9.072 8.886 0.186 18438 6113 1 14 . 1 1 43 43 GLN N N 43 118.221 118.221 118.638 -0.417 18438 6114 1 14 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.326 0.001 18438 6115 1 14 . 1 1 43 43 GLN C C 43 177.154 177.154 177.099 0.055 18438 6116 1 14 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.542 0.599 18438 6117 1 14 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.331 -0.077 18438 6118 1 14 . 1 1 43 43 GLN H H 43 8.356 8.356 7.671 0.685 18438 6119 1 14 . 1 1 44 44 ASN N N 44 115.402 115.402 115.505 -0.103 18438 6120 1 14 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.572 0.159 18438 6121 1 14 . 1 1 44 44 ASN C C 44 175.200 175.200 176.415 -1.215 18438 6122 1 14 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.627 -1.027 18438 6123 1 14 . 1 1 44 44 ASN CB C 44 41.059 41.059 39.364 1.694 18438 6124 1 14 . 1 1 44 44 ASN H H 44 8.163 8.163 8.135 0.028 18438 6125 1 14 . 1 1 45 45 GLY N N 45 109.680 109.680 109.012 0.668 18438 6126 1 14 . 1 1 45 45 GLY C C 45 175.200 175.200 175.763 -0.563 18438 6127 1 14 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.647 1.553 18438 6128 1 14 . 1 1 45 45 GLY H H 45 8.094 8.094 8.003 0.091 18438 6129 1 14 . 1 1 46 46 ARG N N 46 121.367 121.367 120.385 0.982 18438 6130 1 14 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.338 -0.449 18438 6131 1 14 . 1 1 46 46 ARG C C 46 178.091 178.091 178.109 -0.018 18438 6132 1 14 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.276 1.594 18438 6133 1 14 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.210 0.073 18438 6134 1 14 . 1 1 46 46 ARG H H 46 8.893 8.893 8.471 0.422 18438 6135 1 14 . 1 1 47 47 THR N N 47 116.630 116.630 116.832 -0.202 18438 6136 1 14 . 1 1 47 47 THR HA H 47 3.668 3.668 4.080 -0.412 18438 6137 1 14 . 1 1 47 47 THR C C 47 176.060 176.060 177.002 -0.942 18438 6138 1 14 . 1 1 47 47 THR CA C 47 66.345 66.345 67.094 -0.749 18438 6139 1 14 . 1 1 47 47 THR CB C 47 67.794 67.794 68.307 -0.513 18438 6140 1 14 . 1 1 47 47 THR H H 47 7.397 7.397 7.484 -0.087 18438 6141 1 14 . 1 1 48 48 TYR N N 48 120.826 120.826 121.009 -0.183 18438 6142 1 14 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.182 0.231 18438 6143 1 14 . 1 1 48 48 TYR C C 48 180.279 180.279 177.957 2.322 18438 6144 1 14 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.913 -1.993 18438 6145 1 14 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.801 -1.701 18438 6146 1 14 . 1 1 48 48 TYR H H 48 7.529 7.529 7.703 -0.174 18438 6147 1 14 . 1 1 49 49 LEU N N 49 120.670 120.670 119.462 1.208 18438 6148 1 14 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.109 -0.046 18438 6149 1 14 . 1 1 49 49 LEU C C 49 178.091 178.091 179.022 -0.931 18438 6150 1 14 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.879 0.380 18438 6151 1 14 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.785 0.474 18438 6152 1 14 . 1 1 49 49 LEU H H 49 8.847 8.847 8.677 0.170 18438 6153 1 14 . 1 1 50 50 LYS N N 50 119.596 119.596 119.964 -0.368 18438 6154 1 14 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.903 -0.133 18438 6155 1 14 . 1 1 50 50 LYS C C 50 179.263 179.263 179.217 0.046 18438 6156 1 14 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.389 1.248 18438 6157 1 14 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.069 -0.071 18438 6158 1 14 . 1 1 50 50 LYS H H 50 8.001 8.001 7.845 0.156 18438 6159 1 14 . 1 1 51 51 TYR N N 51 118.606 118.606 119.338 -0.732 18438 6160 1 14 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.283 0.016 18438 6161 1 14 . 1 1 51 51 TYR C C 51 179.107 179.107 178.382 0.725 18438 6162 1 14 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.395 -1.157 18438 6163 1 14 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.362 -1.025 18438 6164 1 14 . 1 1 51 51 TYR H H 51 8.274 8.274 8.348 -0.074 18438 6165 1 14 . 1 1 52 52 SER N N 52 117.699 117.699 116.622 1.077 18438 6166 1 14 . 1 1 52 52 SER HA H 52 4.227 4.227 4.196 0.031 18438 6167 1 14 . 1 1 52 52 SER C C 52 175.669 175.669 176.799 -1.130 18438 6168 1 14 . 1 1 52 52 SER CA C 52 63.312 63.312 62.722 0.590 18438 6169 1 14 . 1 1 52 52 SER CB C 52 63.520 63.520 63.157 0.363 18438 6170 1 14 . 1 1 52 52 SER H H 52 8.303 8.303 8.187 0.116 18438 6171 1 14 . 1 1 53 53 ILE N N 53 121.571 121.571 122.605 -1.034 18438 6172 1 14 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.464 -0.183 18438 6173 1 14 . 1 1 53 53 ILE C C 53 176.685 176.685 177.144 -0.459 18438 6174 1 14 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.733 0.306 18438 6175 1 14 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.470 0.052 18438 6176 1 14 . 1 1 53 53 ILE H H 53 8.543 8.543 8.415 0.128 18438 6177 1 14 . 1 1 54 54 LYS N N 54 117.799 117.799 120.081 -2.282 18438 6178 1 14 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.901 -0.024 18438 6179 1 14 . 1 1 54 54 LYS C C 54 179.107 179.107 178.843 0.264 18438 6180 1 14 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.677 0.175 18438 6181 1 14 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.345 -0.331 18438 6182 1 14 . 1 1 54 54 LYS H H 54 7.572 7.572 7.757 -0.185 18438 6183 1 14 . 1 1 55 55 ALA N N 55 121.284 121.284 121.953 -0.669 18438 6184 1 14 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.479 -0.364 18438 6185 1 14 . 1 1 55 55 ALA C C 55 180.201 180.201 180.046 0.155 18438 6186 1 14 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.722 0.275 18438 6187 1 14 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.566 -0.646 18438 6188 1 14 . 1 1 55 55 ALA H H 55 7.669 7.669 8.164 -0.495 18438 6189 1 14 . 1 1 56 56 LEU N N 56 119.236 119.236 119.038 0.198 18438 6190 1 14 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.069 0.351 18438 6191 1 14 . 1 1 56 56 LEU C C 56 179.966 179.966 178.784 1.182 18438 6192 1 14 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.463 -1.369 18438 6193 1 14 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.969 0.392 18438 6194 1 14 . 1 1 56 56 LEU H H 56 8.302 8.302 7.923 0.379 18438 6195 1 14 . 1 1 57 57 VAL N N 57 122.357 122.357 119.234 3.123 18438 6196 1 14 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.912 0.455 18438 6197 1 14 . 1 1 57 57 VAL C C 57 180.669 180.669 178.716 1.953 18438 6198 1 14 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.352 -1.246 18438 6199 1 14 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.639 0.367 18438 6200 1 14 . 1 1 57 57 VAL H H 57 8.555 8.555 8.202 0.353 18438 6201 1 14 . 1 1 58 58 GLN N N 58 120.472 120.472 119.355 1.117 18438 6202 1 14 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.082 0.043 18438 6203 1 14 . 1 1 58 58 GLN C C 58 177.154 177.154 177.329 -0.175 18438 6204 1 14 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.533 0.287 18438 6205 1 14 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.888 -0.688 18438 6206 1 14 . 1 1 58 58 GLN H H 58 8.078 8.078 8.089 -0.011 18438 6207 1 14 . 1 1 59 59 ASN N N 59 114.176 114.176 115.448 -1.272 18438 6208 1 14 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.856 0.023 18438 6209 1 14 . 1 1 59 59 ASN C C 59 175.122 175.122 174.078 1.044 18438 6210 1 14 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.288 -1.708 18438 6211 1 14 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.442 -0.746 18438 6212 1 14 . 1 1 59 59 ASN H H 59 7.704 7.704 7.798 -0.094 18438 6213 1 14 . 1 1 60 60 ASP N N 60 113.376 113.376 114.189 -0.813 18438 6214 1 14 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.420 0.043 18438 6215 1 14 . 1 1 60 60 ASP C C 60 175.279 175.279 176.196 -0.917 18438 6216 1 14 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.907 0.165 18438 6217 1 14 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.849 1.060 18438 6218 1 14 . 1 1 60 60 ASP H H 60 7.900 7.900 7.570 0.330 18438 6219 1 14 . 1 1 61 61 THR N N 61 117.382 117.382 111.622 5.760 18438 6220 1 14 . 1 1 61 61 THR HA H 61 4.097 4.097 4.211 -0.114 18438 6221 1 14 . 1 1 61 61 THR C C 61 174.966 174.966 173.993 0.973 18438 6222 1 14 . 1 1 61 61 THR CA C 61 67.141 67.141 65.352 1.789 18438 6223 1 14 . 1 1 61 61 THR CB C 61 68.143 68.143 69.849 -1.706 18438 6224 1 14 . 1 1 61 61 THR H H 61 8.776 8.776 8.325 0.451 18438 6225 1 14 . 1 1 62 62 LEU N N 62 118.406 118.406 120.487 -2.081 18438 6226 1 14 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.191 -0.028 18438 6227 1 14 . 1 1 62 62 LEU C C 62 175.122 175.122 175.670 -0.548 18438 6228 1 14 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.424 -1.583 18438 6229 1 14 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.078 0.387 18438 6230 1 14 . 1 1 62 62 LEU H H 62 7.653 7.653 7.400 0.253 18438 6231 1 14 . 1 1 63 63 LEU N N 63 119.075 119.075 123.201 -4.126 18438 6232 1 14 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.697 -0.047 18438 6233 1 14 . 1 1 63 63 LEU C C 63 175.904 175.904 175.763 0.141 18438 6234 1 14 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.887 -0.863 18438 6235 1 14 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.466 0.575 18438 6236 1 14 . 1 1 63 63 LEU H H 63 9.145 9.145 8.940 0.205 18438 6237 1 14 . 1 1 64 64 GLN N N 64 123.978 123.978 125.039 -1.061 18438 6238 1 14 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.577 -0.001 18438 6239 1 14 . 1 1 64 64 GLN C C 64 175.435 175.435 175.949 -0.514 18438 6240 1 14 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.636 -0.611 18438 6241 1 14 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.958 0.298 18438 6242 1 14 . 1 1 64 64 GLN H H 64 8.995 8.995 8.820 0.175 18438 6243 1 14 . 1 1 65 65 VAL N N 65 126.750 126.750 124.440 2.310 18438 6244 1 14 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.084 -0.059 18438 6245 1 14 . 1 1 65 65 VAL C C 65 175.747 175.747 175.614 0.133 18438 6246 1 14 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.366 -0.446 18438 6247 1 14 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.499 1.003 18438 6248 1 14 . 1 1 65 65 VAL H H 65 8.520 8.520 8.675 -0.155 18438 6249 1 14 . 1 1 66 66 LYS N N 66 124.150 124.150 117.230 6.920 18438 6250 1 14 . 1 1 66 66 LYS HA H 66 4.212 4.212 3.903 0.309 18438 6251 1 14 . 1 1 66 66 LYS C C 66 176.607 176.607 177.297 -0.690 18438 6252 1 14 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.950 -0.174 18438 6253 1 14 . 1 1 66 66 LYS CB C 66 33.019 33.019 30.649 2.370 18438 6254 1 14 . 1 1 66 66 LYS H H 66 8.311 8.311 7.478 0.833 18438 6255 1 14 . 1 1 67 67 GLY N N 67 109.952 109.952 108.309 1.643 18438 6256 1 14 . 1 1 67 67 GLY C C 67 173.716 173.716 174.555 -0.839 18438 6257 1 14 . 1 1 67 67 GLY CA C 67 44.902 44.902 44.912 -0.010 18438 6258 1 14 . 1 1 67 67 GLY H H 67 8.401 8.401 8.582 -0.181 18438 6259 1 14 . 1 1 68 68 THR N N 68 111.619 111.619 116.856 -5.237 18438 6260 1 14 . 1 1 68 68 THR HA H 68 4.399 4.399 4.394 0.005 18438 6261 1 14 . 1 1 68 68 THR C C 68 175.279 175.279 174.425 0.854 18438 6262 1 14 . 1 1 68 68 THR CA C 68 61.243 61.243 62.307 -1.064 18438 6263 1 14 . 1 1 68 68 THR CB C 68 69.860 69.860 68.541 1.319 18438 6264 1 14 . 1 1 68 68 THR H H 68 8.032 8.032 7.735 0.297 18438 6265 1 14 . 1 1 69 69 GLY N N 69 111.951 111.951 109.239 2.712 18438 6266 1 14 . 1 1 69 69 GLY C C 69 174.572 174.572 173.129 1.443 18438 6267 1 14 . 1 1 69 69 GLY CA C 69 45.580 45.580 46.259 -0.679 18438 6268 1 14 . 1 1 69 69 GLY H H 69 8.581 8.581 8.142 0.439 18438 6269 1 14 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.328 -0.026 18438 6270 1 14 . 1 1 70 70 ALA C C 70 177.774 177.774 176.417 1.357 18438 6271 1 14 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.166 0.895 18438 6272 1 14 . 1 1 70 70 ALA CB C 70 18.921 18.921 19.015 -0.094 18438 6273 1 14 . 1 1 71 71 ASN N N 71 115.782 115.782 117.299 -1.517 18438 6274 1 14 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.802 0.078 18438 6275 1 14 . 1 1 71 71 ASN C C 71 174.966 174.966 175.791 -0.825 18438 6276 1 14 . 1 1 71 71 ASN CA C 71 52.744 52.744 51.273 1.471 18438 6277 1 14 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.685 -0.468 18438 6278 1 14 . 1 1 71 71 ASN H H 71 8.151 8.151 7.972 0.179 18438 6279 1 14 . 1 1 72 72 GLY N N 72 107.783 107.783 108.141 -0.358 18438 6280 1 14 . 1 1 72 72 GLY C C 72 172.700 172.700 173.400 -0.700 18438 6281 1 14 . 1 1 72 72 GLY CA C 72 44.902 44.902 45.419 -0.517 18438 6282 1 14 . 1 1 72 72 GLY H H 72 8.051 8.051 8.560 -0.509 18438 6283 1 14 . 1 1 73 73 SER N N 73 114.063 114.063 119.800 -5.737 18438 6284 1 14 . 1 1 73 73 SER HA H 73 4.484 4.484 4.742 -0.258 18438 6285 1 14 . 1 1 73 73 SER C C 73 172.480 172.480 173.267 -0.787 18438 6286 1 14 . 1 1 73 73 SER CA C 73 56.717 56.717 56.847 -0.130 18438 6287 1 14 . 1 1 73 73 SER CB C 73 65.043 65.043 65.129 -0.086 18438 6288 1 14 . 1 1 73 73 SER H H 73 7.761 7.761 7.925 -0.164 18438 6289 1 14 . 1 1 74 74 PHE N N 74 119.449 119.449 119.140 0.309 18438 6290 1 14 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.855 -0.373 18438 6291 1 14 . 1 1 74 74 PHE C C 74 174.185 174.185 175.079 -0.894 18438 6292 1 14 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.723 0.738 18438 6293 1 14 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.940 -0.929 18438 6294 1 14 . 1 1 74 74 PHE H H 74 8.489 8.489 8.787 -0.298 18438 6295 1 14 . 1 1 75 75 LYS N N 75 119.294 119.294 119.063 0.231 18438 6296 1 14 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.818 0.141 18438 6297 1 14 . 1 1 75 75 LYS C C 75 175.669 175.669 174.134 1.535 18438 6298 1 14 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.766 -1.362 18438 6299 1 14 . 1 1 75 75 LYS CB C 75 37.239 37.239 35.906 1.333 18438 6300 1 14 . 1 1 75 75 LYS H H 75 8.894 8.894 8.471 0.423 18438 6301 1 14 . 1 1 76 76 LEU N N 76 121.201 121.201 121.186 0.015 18438 6302 1 14 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.699 -0.327 18438 6303 1 14 . 1 1 76 76 LEU C C 76 177.075 177.075 177.791 -0.716 18438 6304 1 14 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.211 0.568 18438 6305 1 14 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.437 -0.796 18438 6306 1 14 . 1 1 76 76 LEU H H 76 9.023 9.023 8.641 0.382 18438 6307 1 14 . 1 1 77 77 ASN N N 77 120.222 120.222 122.691 -2.469 18438 6308 1 14 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.587 0.086 18438 6309 1 14 . 1 1 77 77 ASN C C 77 175.669 175.669 175.681 -0.012 18438 6310 1 14 . 1 1 77 77 ASN CA C 77 51.802 51.802 55.618 -3.816 18438 6311 1 14 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.858 -0.995 18438 6312 1 14 . 1 1 77 77 ASN H H 77 8.333 8.333 8.679 -0.346 18438 6313 1 14 . 1 1 78 78 ARG N N 78 125.225 125.225 118.414 6.811 18438 6314 1 14 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.309 -0.096 18438 6315 1 14 . 1 1 78 78 ARG C C 78 176.607 176.607 174.973 1.634 18438 6316 1 14 . 1 1 78 78 ARG CA C 78 57.376 57.376 57.207 0.169 18438 6317 1 14 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.544 -0.503 18438 6318 1 14 . 1 1 78 78 ARG H H 78 8.373 8.373 8.392 -0.019 18438 6319 1 14 . 1 1 79 79 LYS N N 79 119.831 119.831 120.741 -0.910 18438 6320 1 14 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.388 -0.183 18438 6321 1 14 . 1 1 79 79 LYS C C 79 177.075 177.075 175.545 1.530 18438 6322 1 14 . 1 1 79 79 LYS CA C 79 57.143 57.143 57.027 0.116 18438 6323 1 14 . 1 1 79 79 LYS CB C 79 32.341 32.341 32.220 0.121 18438 6324 1 14 . 1 1 79 79 LYS H H 79 8.095 8.095 8.093 0.002 18438 6325 1 14 . 1 1 80 80 LYS N N 80 119.767 119.767 120.433 -0.666 18438 6326 1 14 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.283 0.021 18438 6327 1 14 . 1 1 80 80 LYS C C 80 176.607 176.607 177.398 -0.791 18438 6328 1 14 . 1 1 80 80 LYS CA C 80 56.085 56.085 56.513 -0.428 18438 6329 1 14 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.181 0.836 18438 6330 1 14 . 1 1 80 80 LYS H H 80 7.671 7.671 8.402 -0.731 18438 6331 1 14 . 1 1 81 81 LEU N N 81 121.868 121.868 120.647 1.221 18438 6332 1 14 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.025 0.332 18438 6333 1 14 . 1 1 81 81 LEU C C 81 177.214 177.214 177.791 -0.577 18438 6334 1 14 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.649 -2.278 18438 6335 1 14 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.032 0.455 18438 6336 1 14 . 1 1 81 81 LEU H H 81 7.996 7.996 7.989 0.007 18438 6337 1 14 . 1 1 82 82 GLU N N 82 120.499 120.499 115.285 5.214 18438 6338 1 14 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.032 0.310 18438 6339 1 14 . 1 1 82 82 GLU C C 82 175.875 175.875 176.694 -0.819 18438 6340 1 14 . 1 1 82 82 GLU CA C 82 56.331 56.331 57.998 -1.667 18438 6341 1 14 . 1 1 82 82 GLU CB C 82 30.322 30.322 28.137 2.185 18438 6342 1 14 . 1 1 82 82 GLU H H 82 8.262 8.262 8.906 -0.644 18438 6343 1 15 . 1 1 3 3 MET HA H 3 4.270 4.270 4.576 -0.306 18438 6344 1 15 . 1 1 3 3 MET C C 3 175.362 175.362 175.815 -0.453 18438 6345 1 15 . 1 1 3 3 MET CA C 3 55.318 55.318 55.388 -0.070 18438 6346 1 15 . 1 1 3 3 MET CB C 3 32.724 32.724 32.824 -0.100 18438 6347 1 15 . 1 1 4 4 GLN N N 4 122.983 122.983 121.385 1.598 18438 6348 1 15 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.573 -0.010 18438 6349 1 15 . 1 1 4 4 GLN C C 4 173.835 173.835 174.678 -0.843 18438 6350 1 15 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.304 -0.783 18438 6351 1 15 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.609 0.156 18438 6352 1 15 . 1 1 4 4 GLN H H 4 8.267 8.267 7.888 0.379 18438 6353 1 15 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.529 -0.561 18438 6354 1 15 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.735 1.257 18438 6355 1 15 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.478 -0.782 18438 6356 1 15 . 1 1 6 6 GLY C C 6 175.512 175.512 175.073 0.439 18438 6357 1 15 . 1 1 6 6 GLY CA C 6 46.036 46.036 45.495 0.541 18438 6358 1 15 . 1 1 7 7 LYS N N 7 121.187 121.187 119.837 1.350 18438 6359 1 15 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.527 0.625 18438 6360 1 15 . 1 1 7 7 LYS C C 7 179.107 179.107 177.852 1.255 18438 6361 1 15 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.866 -0.911 18438 6362 1 15 . 1 1 7 7 LYS CB C 7 31.641 31.641 30.483 1.158 18438 6363 1 15 . 1 1 7 7 LYS H H 7 7.788 7.788 8.000 -0.212 18438 6364 1 15 . 1 1 8 8 TYR N N 8 119.428 119.428 120.484 -1.056 18438 6365 1 15 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.578 -0.276 18438 6366 1 15 . 1 1 8 8 TYR C C 8 177.544 177.544 178.288 -0.744 18438 6367 1 15 . 1 1 8 8 TYR CA C 8 63.600 63.600 60.469 3.131 18438 6368 1 15 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.334 -0.164 18438 6369 1 15 . 1 1 8 8 TYR H H 8 8.197 8.197 8.127 0.070 18438 6370 1 15 . 1 1 9 9 SER N N 9 116.845 116.845 115.307 1.538 18438 6371 1 15 . 1 1 9 9 SER HA H 9 4.241 4.241 4.112 0.129 18438 6372 1 15 . 1 1 9 9 SER C C 9 175.982 175.982 176.778 -0.796 18438 6373 1 15 . 1 1 9 9 SER CA C 9 62.258 62.258 61.367 0.891 18438 6374 1 15 . 1 1 9 9 SER CB C 9 62.254 62.254 62.679 -0.425 18438 6375 1 15 . 1 1 9 9 SER H H 9 8.279 8.279 7.834 0.445 18438 6376 1 15 . 1 1 10 10 GLN N N 10 120.862 120.862 121.300 -0.438 18438 6377 1 15 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.236 -0.150 18438 6378 1 15 . 1 1 10 10 GLN C C 10 177.779 177.779 178.412 -0.633 18438 6379 1 15 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.529 0.213 18438 6380 1 15 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.430 -0.530 18438 6381 1 15 . 1 1 10 10 GLN H H 10 7.765 7.765 8.336 -0.571 18438 6382 1 15 . 1 1 11 11 LEU N N 11 119.752 119.752 121.789 -2.037 18438 6383 1 15 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.266 0.128 18438 6384 1 15 . 1 1 11 11 LEU C C 11 180.357 180.357 179.063 1.294 18438 6385 1 15 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.459 0.256 18438 6386 1 15 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.956 -0.018 18438 6387 1 15 . 1 1 11 11 LEU H H 11 7.805 7.805 7.835 -0.030 18438 6388 1 15 . 1 1 12 12 VAL N N 12 122.619 122.619 119.082 3.537 18438 6389 1 15 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.526 -0.195 18438 6390 1 15 . 1 1 12 12 VAL C C 12 176.841 176.841 177.928 -1.087 18438 6391 1 15 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.150 1.267 18438 6392 1 15 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.598 -0.279 18438 6393 1 15 . 1 1 12 12 VAL H H 12 8.355 8.355 7.802 0.553 18438 6394 1 15 . 1 1 13 13 VAL N N 13 118.472 118.472 119.318 -0.846 18438 6395 1 15 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.564 -0.170 18438 6396 1 15 . 1 1 13 13 VAL C C 13 177.622 177.622 178.223 -0.601 18438 6397 1 15 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.714 1.053 18438 6398 1 15 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.382 0.522 18438 6399 1 15 . 1 1 13 13 VAL H H 13 7.636 7.636 7.539 0.097 18438 6400 1 15 . 1 1 14 14 GLU N N 14 117.137 117.137 119.637 -2.500 18438 6401 1 15 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.019 0.055 18438 6402 1 15 . 1 1 14 14 GLU C C 14 179.576 179.576 179.126 0.450 18438 6403 1 15 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.689 -0.860 18438 6404 1 15 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.506 -0.106 18438 6405 1 15 . 1 1 14 14 GLU H H 14 8.642 8.642 7.881 0.761 18438 6406 1 15 . 1 1 15 15 THR N N 15 116.678 116.678 117.535 -0.857 18438 6407 1 15 . 1 1 15 15 THR HA H 15 3.859 3.859 3.977 -0.118 18438 6408 1 15 . 1 1 15 15 THR C C 15 175.669 175.669 176.835 -1.166 18438 6409 1 15 . 1 1 15 15 THR CA C 15 67.743 67.743 67.079 0.664 18438 6410 1 15 . 1 1 15 15 THR CB C 15 67.761 67.761 68.767 -1.006 18438 6411 1 15 . 1 1 15 15 THR H H 15 8.354 8.354 7.954 0.400 18438 6412 1 15 . 1 1 16 16 ILE N N 16 121.241 121.241 120.652 0.589 18438 6413 1 15 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.814 -0.310 18438 6414 1 15 . 1 1 16 16 ILE C C 16 179.576 179.576 177.912 1.664 18438 6415 1 15 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.105 1.749 18438 6416 1 15 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.669 0.539 18438 6417 1 15 . 1 1 16 16 ILE H H 16 8.342 8.342 8.025 0.317 18438 6418 1 15 . 1 1 17 17 ARG N N 17 120.540 120.540 120.302 0.238 18438 6419 1 15 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.025 -0.043 18438 6420 1 15 . 1 1 17 17 ARG C C 17 178.482 178.482 178.354 0.128 18438 6421 1 15 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.241 0.286 18438 6422 1 15 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.055 0.247 18438 6423 1 15 . 1 1 17 17 ARG H H 17 8.496 8.496 7.573 0.923 18438 6424 1 15 . 1 1 18 18 ARG N N 18 118.955 118.955 117.622 1.333 18438 6425 1 15 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.128 -0.138 18438 6426 1 15 . 1 1 18 18 ARG C C 18 178.794 178.794 179.074 -0.280 18438 6427 1 15 . 1 1 18 18 ARG CA C 18 59.015 59.015 57.974 1.041 18438 6428 1 15 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.007 0.104 18438 6429 1 15 . 1 1 18 18 ARG H H 18 8.257 8.257 7.977 0.280 18438 6430 1 15 . 1 1 19 19 LEU N N 19 118.486 118.486 117.562 0.924 18438 6431 1 15 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.182 -0.129 18438 6432 1 15 . 1 1 19 19 LEU C C 19 179.419 179.419 178.089 1.330 18438 6433 1 15 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.822 1.280 18438 6434 1 15 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.406 -0.110 18438 6435 1 15 . 1 1 19 19 LEU H H 19 8.179 8.179 7.938 0.241 18438 6436 1 15 . 1 1 20 20 GLY N N 20 104.303 104.303 106.447 -2.144 18438 6437 1 15 . 1 1 20 20 GLY C C 20 175.200 175.200 175.052 0.148 18438 6438 1 15 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.396 2.089 18438 6439 1 15 . 1 1 20 20 GLY H H 20 7.520 7.520 7.862 -0.342 18438 6440 1 15 . 1 1 21 21 GLU N N 21 118.725 118.725 119.628 -0.903 18438 6441 1 15 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.293 -0.073 18438 6442 1 15 . 1 1 21 21 GLU C C 21 179.280 179.280 177.708 1.572 18438 6443 1 15 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.654 0.915 18438 6444 1 15 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.599 -0.619 18438 6445 1 15 . 1 1 21 21 GLU H H 21 8.674 8.674 7.898 0.776 18438 6446 1 15 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.279 -0.274 18438 6447 1 15 . 1 1 22 22 ARG C C 22 177.150 177.150 176.699 0.451 18438 6448 1 15 . 1 1 22 22 ARG CA C 22 59.467 59.467 57.597 1.870 18438 6449 1 15 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.508 -0.555 18438 6450 1 15 . 1 1 23 23 ASN N N 23 114.707 114.707 116.998 -2.291 18438 6451 1 15 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.762 0.236 18438 6452 1 15 . 1 1 23 23 ASN C C 23 174.888 174.888 175.566 -0.678 18438 6453 1 15 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.114 -1.214 18438 6454 1 15 . 1 1 23 23 ASN CB C 23 38.504 38.504 41.508 -3.004 18438 6455 1 15 . 1 1 23 23 ASN H H 23 8.662 8.662 8.262 0.400 18438 6456 1 15 . 1 1 24 24 GLY N N 24 104.147 104.147 107.545 -3.398 18438 6457 1 15 . 1 1 24 24 GLY C C 24 172.075 172.075 173.009 -0.934 18438 6458 1 15 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.854 -0.154 18438 6459 1 15 . 1 1 24 24 GLY H H 24 7.130 7.130 7.956 -0.826 18438 6460 1 15 . 1 1 25 25 SER N N 25 113.134 113.134 117.918 -4.784 18438 6461 1 15 . 1 1 25 25 SER HA H 25 5.329 5.329 4.872 0.457 18438 6462 1 15 . 1 1 25 25 SER C C 25 173.716 173.716 175.016 -1.300 18438 6463 1 15 . 1 1 25 25 SER CA C 25 57.259 57.259 56.754 0.505 18438 6464 1 15 . 1 1 25 25 SER CB C 25 66.600 66.600 64.818 1.782 18438 6465 1 15 . 1 1 25 25 SER H H 25 8.661 8.661 8.390 0.271 18438 6466 1 15 . 1 1 26 26 SER N N 26 121.159 121.159 121.093 0.066 18438 6467 1 15 . 1 1 26 26 SER HA H 26 4.962 4.962 4.714 0.248 18438 6468 1 15 . 1 1 26 26 SER C C 26 174.732 174.732 175.946 -1.214 18438 6469 1 15 . 1 1 26 26 SER CA C 26 56.600 56.600 57.879 -1.279 18438 6470 1 15 . 1 1 26 26 SER CB C 26 65.369 65.369 64.001 1.368 18438 6471 1 15 . 1 1 26 26 SER H H 26 8.841 8.841 8.923 -0.082 18438 6472 1 15 . 1 1 27 27 LEU N N 27 121.372 121.372 123.011 -1.639 18438 6473 1 15 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.183 -0.078 18438 6474 1 15 . 1 1 27 27 LEU C C 27 177.935 177.935 178.286 -0.351 18438 6475 1 15 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.117 0.710 18438 6476 1 15 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.843 -0.902 18438 6477 1 15 . 1 1 27 27 LEU H H 27 9.303 9.303 8.585 0.718 18438 6478 1 15 . 1 1 28 28 ALA N N 28 119.606 119.606 120.211 -0.605 18438 6479 1 15 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.068 0.094 18438 6480 1 15 . 1 1 28 28 ALA C C 28 180.279 180.279 179.348 0.931 18438 6481 1 15 . 1 1 28 28 ALA CA C 28 55.725 55.725 54.951 0.774 18438 6482 1 15 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.095 0.152 18438 6483 1 15 . 1 1 28 28 ALA H H 28 8.509 8.509 8.162 0.347 18438 6484 1 15 . 1 1 29 29 LYS N N 29 120.138 120.138 119.896 0.242 18438 6485 1 15 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.136 -0.007 18438 6486 1 15 . 1 1 29 29 LYS C C 29 178.950 178.950 178.967 -0.017 18438 6487 1 15 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.467 0.118 18438 6488 1 15 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.101 0.382 18438 6489 1 15 . 1 1 29 29 LYS H H 29 7.873 7.873 7.504 0.369 18438 6490 1 15 . 1 1 30 30 ILE N N 30 119.535 119.535 119.475 0.060 18438 6491 1 15 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.734 -0.229 18438 6492 1 15 . 1 1 30 30 ILE C C 30 177.466 177.466 177.417 0.049 18438 6493 1 15 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.135 0.226 18438 6494 1 15 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.242 0.380 18438 6495 1 15 . 1 1 30 30 ILE H H 30 8.505 8.505 8.333 0.172 18438 6496 1 15 . 1 1 31 31 TYR N N 31 119.439 119.439 121.598 -2.159 18438 6497 1 15 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.053 -0.085 18438 6498 1 15 . 1 1 31 31 TYR C C 31 175.513 175.513 177.350 -1.837 18438 6499 1 15 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.469 -1.569 18438 6500 1 15 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.253 -0.314 18438 6501 1 15 . 1 1 31 31 TYR H H 31 9.231 9.231 8.065 1.166 18438 6502 1 15 . 1 1 32 32 THR N N 32 113.378 113.378 113.002 0.376 18438 6503 1 15 . 1 1 32 32 THR HA H 32 3.314 3.314 3.855 -0.541 18438 6504 1 15 . 1 1 32 32 THR C C 32 175.435 175.435 175.787 -0.352 18438 6505 1 15 . 1 1 32 32 THR CA C 32 66.900 66.900 66.865 0.035 18438 6506 1 15 . 1 1 32 32 THR CB C 32 68.631 68.631 68.397 0.234 18438 6507 1 15 . 1 1 32 32 THR H H 32 7.936 7.936 8.086 -0.150 18438 6508 1 15 . 1 1 33 33 GLU N N 33 117.565 117.565 118.515 -0.950 18438 6509 1 15 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.281 -0.231 18438 6510 1 15 . 1 1 33 33 GLU C C 33 178.716 178.716 178.487 0.229 18438 6511 1 15 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.548 -0.348 18438 6512 1 15 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.307 0.656 18438 6513 1 15 . 1 1 33 33 GLU H H 33 7.359 7.359 7.548 -0.189 18438 6514 1 15 . 1 1 34 34 ALA N N 34 124.323 124.323 123.133 1.190 18438 6515 1 15 . 1 1 34 34 ALA HA H 34 3.629 3.629 4.015 -0.386 18438 6516 1 15 . 1 1 34 34 ALA C C 34 177.232 177.232 178.249 -1.017 18438 6517 1 15 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.463 0.191 18438 6518 1 15 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.759 -0.468 18438 6519 1 15 . 1 1 34 34 ALA H H 34 8.940 8.940 7.797 1.143 18438 6520 1 15 . 1 1 35 35 LYS N N 35 110.920 110.920 114.423 -3.503 18438 6521 1 15 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.567 0.212 18438 6522 1 15 . 1 1 35 35 LYS C C 35 176.060 176.060 176.999 -0.939 18438 6523 1 15 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.185 -0.481 18438 6524 1 15 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.091 -0.293 18438 6525 1 15 . 1 1 35 35 LYS H H 35 7.277 7.277 7.302 -0.025 18438 6526 1 15 . 1 1 36 36 LYS N N 36 116.850 116.850 117.916 -1.066 18438 6527 1 15 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.010 -0.090 18438 6528 1 15 . 1 1 36 36 LYS C C 36 177.544 177.544 177.175 0.369 18438 6529 1 15 . 1 1 36 36 LYS CA C 36 56.783 56.783 57.286 -0.503 18438 6530 1 15 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.488 0.556 18438 6531 1 15 . 1 1 36 36 LYS H H 36 6.808 6.808 7.228 -0.420 18438 6532 1 15 . 1 1 37 37 VAL N N 37 120.331 120.331 117.360 2.971 18438 6533 1 15 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.141 0.003 18438 6534 1 15 . 1 1 37 37 VAL C C 37 177.134 177.134 175.682 1.452 18438 6535 1 15 . 1 1 37 37 VAL CA C 37 60.228 60.228 59.508 0.720 18438 6536 1 15 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.000 0.062 18438 6537 1 15 . 1 1 37 37 VAL H H 37 7.413 7.413 7.233 0.180 18438 6538 1 15 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.386 -0.080 18438 6539 1 15 . 1 1 38 38 PRO C C 38 176.763 176.763 176.801 -0.038 18438 6540 1 15 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.590 0.830 18438 6541 1 15 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.996 -0.035 18438 6542 1 15 . 1 1 39 39 TRP N N 39 110.211 110.211 116.091 -5.880 18438 6543 1 15 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.701 0.023 18438 6544 1 15 . 1 1 39 39 TRP C C 39 176.216 176.216 175.786 0.430 18438 6545 1 15 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.682 -1.182 18438 6546 1 15 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.726 0.202 18438 6547 1 15 . 1 1 39 39 TRP H H 39 6.356 6.356 7.599 -1.243 18438 6548 1 15 . 1 1 40 40 PHE N N 40 124.624 124.624 123.097 1.527 18438 6549 1 15 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.315 -0.619 18438 6550 1 15 . 1 1 40 40 PHE C C 40 174.966 174.966 174.858 0.108 18438 6551 1 15 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.742 1.466 18438 6552 1 15 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.478 0.299 18438 6553 1 15 . 1 1 40 40 PHE H H 40 7.282 7.282 6.977 0.305 18438 6554 1 15 . 1 1 41 41 ASP N N 41 127.204 127.204 128.172 -0.968 18438 6555 1 15 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.757 -0.115 18438 6556 1 15 . 1 1 41 41 ASP C C 41 175.904 175.904 176.164 -0.260 18438 6557 1 15 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.626 -0.297 18438 6558 1 15 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.443 -1.163 18438 6559 1 15 . 1 1 41 41 ASP H H 41 7.038 7.038 8.098 -1.060 18438 6560 1 15 . 1 1 42 42 GLN N N 42 125.531 125.531 124.268 1.263 18438 6561 1 15 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.527 -0.350 18438 6562 1 15 . 1 1 42 42 GLN C C 42 178.169 178.169 177.257 0.912 18438 6563 1 15 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.312 0.647 18438 6564 1 15 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.465 -0.943 18438 6565 1 15 . 1 1 42 42 GLN H H 42 9.072 9.072 8.927 0.145 18438 6566 1 15 . 1 1 43 43 GLN N N 43 118.221 118.221 119.798 -1.577 18438 6567 1 15 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.309 0.018 18438 6568 1 15 . 1 1 43 43 GLN C C 43 177.154 177.154 178.070 -0.916 18438 6569 1 15 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.668 0.473 18438 6570 1 15 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.811 -0.557 18438 6571 1 15 . 1 1 43 43 GLN H H 43 8.356 8.356 7.850 0.506 18438 6572 1 15 . 1 1 44 44 ASN N N 44 115.402 115.402 117.882 -2.480 18438 6573 1 15 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.382 0.349 18438 6574 1 15 . 1 1 44 44 ASN C C 44 175.200 175.200 176.708 -1.508 18438 6575 1 15 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.473 -1.873 18438 6576 1 15 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.411 2.648 18438 6577 1 15 . 1 1 44 44 ASN H H 44 8.163 8.163 8.433 -0.270 18438 6578 1 15 . 1 1 45 45 GLY N N 45 109.680 109.680 108.800 0.880 18438 6579 1 15 . 1 1 45 45 GLY C C 45 175.200 175.200 175.538 -0.338 18438 6580 1 15 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.218 1.982 18438 6581 1 15 . 1 1 45 45 GLY H H 45 8.094 8.094 8.092 0.002 18438 6582 1 15 . 1 1 46 46 ARG N N 46 121.367 121.367 120.789 0.578 18438 6583 1 15 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.378 -0.489 18438 6584 1 15 . 1 1 46 46 ARG C C 46 178.091 178.091 178.192 -0.101 18438 6585 1 15 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.159 1.711 18438 6586 1 15 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.453 -0.170 18438 6587 1 15 . 1 1 46 46 ARG H H 46 8.893 8.893 7.737 1.156 18438 6588 1 15 . 1 1 47 47 THR N N 47 116.630 116.630 116.778 -0.148 18438 6589 1 15 . 1 1 47 47 THR HA H 47 3.668 3.668 4.119 -0.451 18438 6590 1 15 . 1 1 47 47 THR C C 47 176.060 176.060 177.009 -0.949 18438 6591 1 15 . 1 1 47 47 THR CA C 47 66.345 66.345 67.039 -0.694 18438 6592 1 15 . 1 1 47 47 THR CB C 47 67.794 67.794 68.324 -0.530 18438 6593 1 15 . 1 1 47 47 THR H H 47 7.397 7.397 7.458 -0.061 18438 6594 1 15 . 1 1 48 48 TYR N N 48 120.826 120.826 120.799 0.027 18438 6595 1 15 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.212 0.201 18438 6596 1 15 . 1 1 48 48 TYR C C 48 180.279 180.279 178.205 2.074 18438 6597 1 15 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.521 -1.601 18438 6598 1 15 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.745 -1.645 18438 6599 1 15 . 1 1 48 48 TYR H H 48 7.529 7.529 7.617 -0.088 18438 6600 1 15 . 1 1 49 49 LEU N N 49 120.670 120.670 120.404 0.266 18438 6601 1 15 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.155 -0.092 18438 6602 1 15 . 1 1 49 49 LEU C C 49 178.091 178.091 179.256 -1.165 18438 6603 1 15 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.575 0.684 18438 6604 1 15 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.988 0.271 18438 6605 1 15 . 1 1 49 49 LEU H H 49 8.847 8.847 8.396 0.451 18438 6606 1 15 . 1 1 50 50 LYS N N 50 119.596 119.596 119.475 0.121 18438 6607 1 15 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.869 -0.099 18438 6608 1 15 . 1 1 50 50 LYS C C 50 179.263 179.263 179.376 -0.113 18438 6609 1 15 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.431 1.206 18438 6610 1 15 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.124 -0.126 18438 6611 1 15 . 1 1 50 50 LYS H H 50 8.001 8.001 7.871 0.130 18438 6612 1 15 . 1 1 51 51 TYR N N 51 118.606 118.606 119.176 -0.570 18438 6613 1 15 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.300 -0.001 18438 6614 1 15 . 1 1 51 51 TYR C C 51 179.107 179.107 178.099 1.008 18438 6615 1 15 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.485 -1.247 18438 6616 1 15 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.807 -1.470 18438 6617 1 15 . 1 1 51 51 TYR H H 51 8.274 8.274 8.316 -0.042 18438 6618 1 15 . 1 1 52 52 SER N N 52 117.699 117.699 116.535 1.164 18438 6619 1 15 . 1 1 52 52 SER HA H 52 4.227 4.227 4.152 0.075 18438 6620 1 15 . 1 1 52 52 SER C C 52 175.669 175.669 177.016 -1.347 18438 6621 1 15 . 1 1 52 52 SER CA C 52 63.312 63.312 62.297 1.015 18438 6622 1 15 . 1 1 52 52 SER CB C 52 63.520 63.520 63.146 0.374 18438 6623 1 15 . 1 1 52 52 SER H H 52 8.303 8.303 8.092 0.211 18438 6624 1 15 . 1 1 53 53 ILE N N 53 121.571 121.571 123.320 -1.749 18438 6625 1 15 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.538 -0.257 18438 6626 1 15 . 1 1 53 53 ILE C C 53 176.685 176.685 177.483 -0.798 18438 6627 1 15 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.427 0.612 18438 6628 1 15 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.352 0.170 18438 6629 1 15 . 1 1 53 53 ILE H H 53 8.543 8.543 8.554 -0.011 18438 6630 1 15 . 1 1 54 54 LYS N N 54 117.799 117.799 119.868 -2.069 18438 6631 1 15 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.843 0.034 18438 6632 1 15 . 1 1 54 54 LYS C C 54 179.107 179.107 178.620 0.487 18438 6633 1 15 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.157 0.695 18438 6634 1 15 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.098 -0.084 18438 6635 1 15 . 1 1 54 54 LYS H H 54 7.572 7.572 7.519 0.053 18438 6636 1 15 . 1 1 55 55 ALA N N 55 121.284 121.284 121.684 -0.400 18438 6637 1 15 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.181 -0.066 18438 6638 1 15 . 1 1 55 55 ALA C C 55 180.201 180.201 180.088 0.113 18438 6639 1 15 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.886 0.111 18438 6640 1 15 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.299 -0.379 18438 6641 1 15 . 1 1 55 55 ALA H H 55 7.669 7.669 7.969 -0.300 18438 6642 1 15 . 1 1 56 56 LEU N N 56 119.236 119.236 118.706 0.530 18438 6643 1 15 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.054 0.366 18438 6644 1 15 . 1 1 56 56 LEU C C 56 179.966 179.966 178.852 1.114 18438 6645 1 15 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.334 -1.240 18438 6646 1 15 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.736 0.625 18438 6647 1 15 . 1 1 56 56 LEU H H 56 8.302 8.302 7.993 0.309 18438 6648 1 15 . 1 1 57 57 VAL N N 57 122.357 122.357 119.390 2.967 18438 6649 1 15 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.906 0.461 18438 6650 1 15 . 1 1 57 57 VAL C C 57 180.669 180.669 178.754 1.915 18438 6651 1 15 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.742 -0.636 18438 6652 1 15 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.654 0.352 18438 6653 1 15 . 1 1 57 57 VAL H H 57 8.555 8.555 7.975 0.580 18438 6654 1 15 . 1 1 58 58 GLN N N 58 120.472 120.472 118.205 2.267 18438 6655 1 15 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.145 -0.020 18438 6656 1 15 . 1 1 58 58 GLN C C 58 177.154 177.154 177.588 -0.434 18438 6657 1 15 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.205 0.616 18438 6658 1 15 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.554 -0.354 18438 6659 1 15 . 1 1 58 58 GLN H H 58 8.078 8.078 7.614 0.464 18438 6660 1 15 . 1 1 59 59 ASN N N 59 114.176 114.176 115.618 -1.442 18438 6661 1 15 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.831 0.048 18438 6662 1 15 . 1 1 59 59 ASN C C 59 175.122 175.122 174.253 0.869 18438 6663 1 15 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.620 -2.040 18438 6664 1 15 . 1 1 59 59 ASN CB C 59 37.696 37.696 39.016 -1.320 18438 6665 1 15 . 1 1 59 59 ASN H H 59 7.704 7.704 7.663 0.041 18438 6666 1 15 . 1 1 60 60 ASP N N 60 113.376 113.376 115.726 -2.350 18438 6667 1 15 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.439 0.024 18438 6668 1 15 . 1 1 60 60 ASP C C 60 175.279 175.279 176.698 -1.419 18438 6669 1 15 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.963 0.109 18438 6670 1 15 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.053 0.856 18438 6671 1 15 . 1 1 60 60 ASP H H 60 7.900 7.900 7.798 0.102 18438 6672 1 15 . 1 1 61 61 THR N N 61 117.382 117.382 112.668 4.714 18438 6673 1 15 . 1 1 61 61 THR HA H 61 4.097 4.097 4.141 -0.044 18438 6674 1 15 . 1 1 61 61 THR C C 61 174.966 174.966 173.955 1.011 18438 6675 1 15 . 1 1 61 61 THR CA C 61 67.141 67.141 66.010 1.131 18438 6676 1 15 . 1 1 61 61 THR CB C 61 68.143 68.143 69.606 -1.463 18438 6677 1 15 . 1 1 61 61 THR H H 61 8.776 8.776 8.321 0.455 18438 6678 1 15 . 1 1 62 62 LEU N N 62 118.406 118.406 119.737 -1.331 18438 6679 1 15 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.294 -0.131 18438 6680 1 15 . 1 1 62 62 LEU C C 62 175.122 175.122 175.826 -0.704 18438 6681 1 15 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.391 -1.550 18438 6682 1 15 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.031 0.434 18438 6683 1 15 . 1 1 62 62 LEU H H 62 7.653 7.653 7.463 0.190 18438 6684 1 15 . 1 1 63 63 LEU N N 63 119.075 119.075 121.904 -2.829 18438 6685 1 15 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.739 -0.089 18438 6686 1 15 . 1 1 63 63 LEU C C 63 175.904 175.904 175.892 0.012 18438 6687 1 15 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.725 -0.701 18438 6688 1 15 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.443 0.598 18438 6689 1 15 . 1 1 63 63 LEU H H 63 9.145 9.145 8.625 0.520 18438 6690 1 15 . 1 1 64 64 GLN N N 64 123.978 123.978 123.528 0.450 18438 6691 1 15 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.536 0.040 18438 6692 1 15 . 1 1 64 64 GLN C C 64 175.435 175.435 175.113 0.322 18438 6693 1 15 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.608 -0.582 18438 6694 1 15 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.161 0.095 18438 6695 1 15 . 1 1 64 64 GLN H H 64 8.995 8.995 8.643 0.352 18438 6696 1 15 . 1 1 65 65 VAL N N 65 126.750 126.750 123.989 2.761 18438 6697 1 15 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.461 -0.436 18438 6698 1 15 . 1 1 65 65 VAL C C 65 175.747 175.747 174.860 0.887 18438 6699 1 15 . 1 1 65 65 VAL CA C 65 61.920 61.920 60.950 0.970 18438 6700 1 15 . 1 1 65 65 VAL CB C 65 32.502 32.502 33.393 -0.891 18438 6701 1 15 . 1 1 65 65 VAL H H 65 8.520 8.520 8.649 -0.129 18438 6702 1 15 . 1 1 66 66 LYS N N 66 124.150 124.150 123.542 0.608 18438 6703 1 15 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.368 -0.156 18438 6704 1 15 . 1 1 66 66 LYS C C 66 176.607 176.607 177.017 -0.410 18438 6705 1 15 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.392 0.383 18438 6706 1 15 . 1 1 66 66 LYS CB C 66 33.019 33.019 33.589 -0.570 18438 6707 1 15 . 1 1 66 66 LYS H H 66 8.311 8.311 8.478 -0.167 18438 6708 1 15 . 1 1 67 67 GLY N N 67 109.952 109.952 110.515 -0.563 18438 6709 1 15 . 1 1 67 67 GLY C C 67 173.716 173.716 174.443 -0.727 18438 6710 1 15 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.122 -0.220 18438 6711 1 15 . 1 1 67 67 GLY H H 67 8.401 8.401 8.328 0.073 18438 6712 1 15 . 1 1 68 68 THR N N 68 111.619 111.619 114.775 -3.156 18438 6713 1 15 . 1 1 68 68 THR HA H 68 4.399 4.399 4.367 0.032 18438 6714 1 15 . 1 1 68 68 THR C C 68 175.279 175.279 174.922 0.357 18438 6715 1 15 . 1 1 68 68 THR CA C 68 61.243 61.243 62.700 -1.457 18438 6716 1 15 . 1 1 68 68 THR CB C 68 69.860 69.860 69.349 0.511 18438 6717 1 15 . 1 1 68 68 THR H H 68 8.032 8.032 7.558 0.474 18438 6718 1 15 . 1 1 69 69 GLY N N 69 111.951 111.951 111.284 0.667 18438 6719 1 15 . 1 1 69 69 GLY C C 69 174.572 174.572 174.636 -0.064 18438 6720 1 15 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.370 1.210 18438 6721 1 15 . 1 1 69 69 GLY H H 69 8.581 8.581 7.827 0.754 18438 6722 1 15 . 1 1 70 70 ALA HA H 70 4.302 4.302 3.880 0.422 18438 6723 1 15 . 1 1 70 70 ALA C C 70 177.774 177.774 176.482 1.292 18438 6724 1 15 . 1 1 70 70 ALA CA C 70 53.061 53.061 53.066 -0.005 18438 6725 1 15 . 1 1 70 70 ALA CB C 70 18.921 18.921 18.329 0.592 18438 6726 1 15 . 1 1 71 71 ASN N N 71 115.782 115.782 118.310 -2.528 18438 6727 1 15 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.363 0.517 18438 6728 1 15 . 1 1 71 71 ASN C C 71 174.966 174.966 175.710 -0.744 18438 6729 1 15 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.564 -0.820 18438 6730 1 15 . 1 1 71 71 ASN CB C 71 39.217 39.217 37.642 1.575 18438 6731 1 15 . 1 1 71 71 ASN H H 71 8.151 8.151 8.030 0.121 18438 6732 1 15 . 1 1 72 72 GLY N N 72 107.783 107.783 109.426 -1.643 18438 6733 1 15 . 1 1 72 72 GLY C C 72 172.700 172.700 174.063 -1.363 18438 6734 1 15 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.987 -0.085 18438 6735 1 15 . 1 1 72 72 GLY H H 72 8.051 8.051 8.398 -0.347 18438 6736 1 15 . 1 1 73 73 SER N N 73 114.063 114.063 114.329 -0.266 18438 6737 1 15 . 1 1 73 73 SER HA H 73 4.484 4.484 4.573 -0.089 18438 6738 1 15 . 1 1 73 73 SER C C 73 172.480 172.480 172.708 -0.228 18438 6739 1 15 . 1 1 73 73 SER CA C 73 56.717 56.717 57.391 -0.674 18438 6740 1 15 . 1 1 73 73 SER CB C 73 65.043 65.043 64.570 0.473 18438 6741 1 15 . 1 1 73 73 SER H H 73 7.761 7.761 7.783 -0.022 18438 6742 1 15 . 1 1 74 74 PHE N N 74 119.449 119.449 119.995 -0.546 18438 6743 1 15 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.726 -0.244 18438 6744 1 15 . 1 1 74 74 PHE C C 74 174.185 174.185 175.279 -1.094 18438 6745 1 15 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.622 0.839 18438 6746 1 15 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.671 -0.660 18438 6747 1 15 . 1 1 74 74 PHE H H 74 8.489 8.489 8.603 -0.114 18438 6748 1 15 . 1 1 75 75 LYS N N 75 119.294 119.294 120.495 -1.201 18438 6749 1 15 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.844 0.115 18438 6750 1 15 . 1 1 75 75 LYS C C 75 175.669 175.669 174.424 1.245 18438 6751 1 15 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.232 -0.828 18438 6752 1 15 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.081 1.158 18438 6753 1 15 . 1 1 75 75 LYS H H 75 8.894 8.894 8.221 0.673 18438 6754 1 15 . 1 1 76 76 LEU N N 76 121.201 121.201 121.535 -0.334 18438 6755 1 15 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.409 -0.037 18438 6756 1 15 . 1 1 76 76 LEU C C 76 177.075 177.075 177.192 -0.117 18438 6757 1 15 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.044 0.734 18438 6758 1 15 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.186 -0.545 18438 6759 1 15 . 1 1 76 76 LEU H H 76 9.023 9.023 8.581 0.442 18438 6760 1 15 . 1 1 77 77 ASN N N 77 120.222 120.222 122.814 -2.592 18438 6761 1 15 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.638 0.035 18438 6762 1 15 . 1 1 77 77 ASN C C 77 175.669 175.669 174.644 1.025 18438 6763 1 15 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.486 -1.684 18438 6764 1 15 . 1 1 77 77 ASN CB C 77 37.863 37.863 39.452 -1.589 18438 6765 1 15 . 1 1 77 77 ASN H H 77 8.333 8.333 8.265 0.068 18438 6766 1 15 . 1 1 78 78 ARG N N 78 125.225 125.225 126.014 -0.789 18438 6767 1 15 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.383 -0.170 18438 6768 1 15 . 1 1 78 78 ARG C C 78 176.607 176.607 176.167 0.440 18438 6769 1 15 . 1 1 78 78 ARG CA C 78 57.376 57.376 56.256 1.120 18438 6770 1 15 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.820 -0.779 18438 6771 1 15 . 1 1 78 78 ARG H H 78 8.373 8.373 8.518 -0.145 18438 6772 1 15 . 1 1 79 79 LYS N N 79 119.831 119.831 124.983 -5.152 18438 6773 1 15 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.049 0.156 18438 6774 1 15 . 1 1 79 79 LYS C C 79 177.075 177.075 176.524 0.551 18438 6775 1 15 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.814 0.329 18438 6776 1 15 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.822 0.519 18438 6777 1 15 . 1 1 79 79 LYS H H 79 8.095 8.095 8.997 -0.902 18438 6778 1 15 . 1 1 80 80 LYS N N 80 119.767 119.767 118.192 1.575 18438 6779 1 15 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.051 0.253 18438 6780 1 15 . 1 1 80 80 LYS C C 80 176.607 176.607 177.633 -1.026 18438 6781 1 15 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.268 -2.183 18438 6782 1 15 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.075 0.942 18438 6783 1 15 . 1 1 80 80 LYS H H 80 7.671 7.671 8.496 -0.825 18438 6784 1 15 . 1 1 81 81 LEU N N 81 121.868 121.868 118.369 3.499 18438 6785 1 15 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.156 0.201 18438 6786 1 15 . 1 1 81 81 LEU C C 81 177.214 177.214 178.400 -1.186 18438 6787 1 15 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.240 -1.869 18438 6788 1 15 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.117 0.369 18438 6789 1 15 . 1 1 81 81 LEU H H 81 7.996 7.996 7.909 0.087 18438 6790 1 15 . 1 1 82 82 GLU N N 82 120.499 120.499 115.547 4.952 18438 6791 1 15 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.448 -0.106 18438 6792 1 15 . 1 1 82 82 GLU C C 82 175.875 175.875 176.707 -0.832 18438 6793 1 15 . 1 1 82 82 GLU CA C 82 56.331 56.331 55.708 0.623 18438 6794 1 15 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.856 -0.534 18438 6795 1 15 . 1 1 82 82 GLU H H 82 8.262 8.262 7.758 0.504 18438 6796 1 16 . 1 1 3 3 MET HA H 3 4.270 4.270 4.244 0.026 18438 6797 1 16 . 1 1 3 3 MET C C 3 175.362 175.362 175.522 -0.160 18438 6798 1 16 . 1 1 3 3 MET CA C 3 55.318 55.318 55.932 -0.614 18438 6799 1 16 . 1 1 3 3 MET CB C 3 32.724 32.724 31.231 1.493 18438 6800 1 16 . 1 1 4 4 GLN N N 4 122.983 122.983 119.276 3.707 18438 6801 1 16 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.579 -0.016 18438 6802 1 16 . 1 1 4 4 GLN C C 4 173.835 173.835 175.208 -1.373 18438 6803 1 16 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.196 -0.675 18438 6804 1 16 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.238 -0.473 18438 6805 1 16 . 1 1 4 4 GLN H H 4 8.267 8.267 8.133 0.134 18438 6806 1 16 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.536 -0.568 18438 6807 1 16 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.806 1.186 18438 6808 1 16 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.457 -0.761 18438 6809 1 16 . 1 1 6 6 GLY C C 6 175.512 175.512 174.405 1.107 18438 6810 1 16 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.529 1.507 18438 6811 1 16 . 1 1 7 7 LYS N N 7 121.187 121.187 123.488 -2.301 18438 6812 1 16 . 1 1 7 7 LYS HA H 7 4.152 4.152 3.954 0.198 18438 6813 1 16 . 1 1 7 7 LYS C C 7 179.107 179.107 177.655 1.452 18438 6814 1 16 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.095 -0.140 18438 6815 1 16 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.178 -0.537 18438 6816 1 16 . 1 1 7 7 LYS H H 7 7.788 7.788 8.505 -0.717 18438 6817 1 16 . 1 1 8 8 TYR N N 8 119.428 119.428 118.329 1.099 18438 6818 1 16 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.668 -0.366 18438 6819 1 16 . 1 1 8 8 TYR C C 8 177.544 177.544 177.951 -0.407 18438 6820 1 16 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.036 2.564 18438 6821 1 16 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.234 -0.064 18438 6822 1 16 . 1 1 8 8 TYR H H 8 8.197 8.197 8.474 -0.277 18438 6823 1 16 . 1 1 9 9 SER N N 9 116.845 116.845 115.537 1.308 18438 6824 1 16 . 1 1 9 9 SER HA H 9 4.241 4.241 4.288 -0.047 18438 6825 1 16 . 1 1 9 9 SER C C 9 175.982 175.982 177.001 -1.019 18438 6826 1 16 . 1 1 9 9 SER CA C 9 62.258 62.258 61.404 0.854 18438 6827 1 16 . 1 1 9 9 SER CB C 9 62.254 62.254 63.281 -1.027 18438 6828 1 16 . 1 1 9 9 SER H H 9 8.279 8.279 7.869 0.410 18438 6829 1 16 . 1 1 10 10 GLN N N 10 120.862 120.862 121.880 -1.018 18438 6830 1 16 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.135 -0.049 18438 6831 1 16 . 1 1 10 10 GLN C C 10 177.779 177.779 178.627 -0.848 18438 6832 1 16 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.313 0.429 18438 6833 1 16 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.625 -0.725 18438 6834 1 16 . 1 1 10 10 GLN H H 10 7.765 7.765 7.519 0.246 18438 6835 1 16 . 1 1 11 11 LEU N N 11 119.752 119.752 122.227 -2.475 18438 6836 1 16 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.440 -0.046 18438 6837 1 16 . 1 1 11 11 LEU C C 11 180.357 180.357 178.829 1.528 18438 6838 1 16 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.659 0.056 18438 6839 1 16 . 1 1 11 11 LEU CB C 11 41.938 41.938 42.039 -0.101 18438 6840 1 16 . 1 1 11 11 LEU H H 11 7.805 7.805 7.953 -0.148 18438 6841 1 16 . 1 1 12 12 VAL N N 12 122.619 122.619 118.942 3.677 18438 6842 1 16 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.515 -0.184 18438 6843 1 16 . 1 1 12 12 VAL C C 12 176.841 176.841 177.992 -1.151 18438 6844 1 16 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.090 1.327 18438 6845 1 16 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.601 -0.282 18438 6846 1 16 . 1 1 12 12 VAL H H 12 8.355 8.355 7.698 0.657 18438 6847 1 16 . 1 1 13 13 VAL N N 13 118.472 118.472 119.562 -1.090 18438 6848 1 16 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.578 -0.184 18438 6849 1 16 . 1 1 13 13 VAL C C 13 177.622 177.622 178.180 -0.558 18438 6850 1 16 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.748 1.019 18438 6851 1 16 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.444 0.460 18438 6852 1 16 . 1 1 13 13 VAL H H 13 7.636 7.636 7.568 0.068 18438 6853 1 16 . 1 1 14 14 GLU N N 14 117.137 117.137 119.826 -2.689 18438 6854 1 16 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.026 0.048 18438 6855 1 16 . 1 1 14 14 GLU C C 14 179.576 179.576 179.101 0.475 18438 6856 1 16 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.748 -0.919 18438 6857 1 16 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.465 -0.065 18438 6858 1 16 . 1 1 14 14 GLU H H 14 8.642 8.642 8.308 0.334 18438 6859 1 16 . 1 1 15 15 THR N N 15 116.678 116.678 117.072 -0.394 18438 6860 1 16 . 1 1 15 15 THR HA H 15 3.859 3.859 4.035 -0.176 18438 6861 1 16 . 1 1 15 15 THR C C 15 175.669 175.669 176.506 -0.837 18438 6862 1 16 . 1 1 15 15 THR CA C 15 67.743 67.743 67.543 0.199 18438 6863 1 16 . 1 1 15 15 THR CB C 15 67.761 67.761 68.600 -0.839 18438 6864 1 16 . 1 1 15 15 THR H H 15 8.354 8.354 7.920 0.434 18438 6865 1 16 . 1 1 16 16 ILE N N 16 121.241 121.241 120.832 0.409 18438 6866 1 16 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.806 -0.302 18438 6867 1 16 . 1 1 16 16 ILE C C 16 179.576 179.576 177.978 1.598 18438 6868 1 16 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.910 1.944 18438 6869 1 16 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.579 0.629 18438 6870 1 16 . 1 1 16 16 ILE H H 16 8.342 8.342 7.935 0.407 18438 6871 1 16 . 1 1 17 17 ARG N N 17 120.540 120.540 121.007 -0.467 18438 6872 1 16 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.003 -0.021 18438 6873 1 16 . 1 1 17 17 ARG C C 17 178.482 178.482 178.271 0.211 18438 6874 1 16 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.552 -0.025 18438 6875 1 16 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.118 0.184 18438 6876 1 16 . 1 1 17 17 ARG H H 17 8.496 8.496 7.716 0.780 18438 6877 1 16 . 1 1 18 18 ARG N N 18 118.955 118.955 117.688 1.267 18438 6878 1 16 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.092 -0.102 18438 6879 1 16 . 1 1 18 18 ARG C C 18 178.794 178.794 178.538 0.256 18438 6880 1 16 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.557 0.458 18438 6881 1 16 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.163 -0.052 18438 6882 1 16 . 1 1 18 18 ARG H H 18 8.257 8.257 8.044 0.213 18438 6883 1 16 . 1 1 19 19 LEU N N 19 118.486 118.486 117.053 1.433 18438 6884 1 16 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.298 -0.245 18438 6885 1 16 . 1 1 19 19 LEU C C 19 179.419 179.419 178.063 1.356 18438 6886 1 16 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.395 1.707 18438 6887 1 16 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.625 -0.329 18438 6888 1 16 . 1 1 19 19 LEU H H 19 8.179 8.179 7.717 0.462 18438 6889 1 16 . 1 1 20 20 GLY N N 20 104.303 104.303 106.742 -2.439 18438 6890 1 16 . 1 1 20 20 GLY C C 20 175.200 175.200 174.912 0.288 18438 6891 1 16 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.551 1.934 18438 6892 1 16 . 1 1 20 20 GLY H H 20 7.520 7.520 7.866 -0.346 18438 6893 1 16 . 1 1 21 21 GLU N N 21 118.725 118.725 119.083 -0.358 18438 6894 1 16 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.269 -0.049 18438 6895 1 16 . 1 1 21 21 GLU C C 21 179.280 179.280 177.504 1.776 18438 6896 1 16 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.200 1.369 18438 6897 1 16 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.645 -0.665 18438 6898 1 16 . 1 1 21 21 GLU H H 21 8.674 8.674 7.820 0.854 18438 6899 1 16 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.073 -0.068 18438 6900 1 16 . 1 1 22 22 ARG C C 22 177.150 177.150 177.394 -0.244 18438 6901 1 16 . 1 1 22 22 ARG CA C 22 59.467 59.467 59.106 0.361 18438 6902 1 16 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.489 -0.536 18438 6903 1 16 . 1 1 23 23 ASN N N 23 114.707 114.707 114.257 0.450 18438 6904 1 16 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.781 0.217 18438 6905 1 16 . 1 1 23 23 ASN C C 23 174.888 174.888 175.086 -0.198 18438 6906 1 16 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.423 -1.524 18438 6907 1 16 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.700 -2.196 18438 6908 1 16 . 1 1 23 23 ASN H H 23 8.662 8.662 8.170 0.492 18438 6909 1 16 . 1 1 24 24 GLY N N 24 104.147 104.147 105.956 -1.809 18438 6910 1 16 . 1 1 24 24 GLY C C 24 172.075 172.075 172.466 -0.391 18438 6911 1 16 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.689 0.011 18438 6912 1 16 . 1 1 24 24 GLY H H 24 7.130 7.130 8.156 -1.026 18438 6913 1 16 . 1 1 25 25 SER N N 25 113.134 113.134 114.831 -1.697 18438 6914 1 16 . 1 1 25 25 SER HA H 25 5.329 5.329 4.875 0.454 18438 6915 1 16 . 1 1 25 25 SER C C 25 173.716 173.716 174.556 -0.840 18438 6916 1 16 . 1 1 25 25 SER CA C 25 57.259 57.259 57.202 0.057 18438 6917 1 16 . 1 1 25 25 SER CB C 25 66.600 66.600 65.683 0.917 18438 6918 1 16 . 1 1 25 25 SER H H 25 8.661 8.661 8.649 0.012 18438 6919 1 16 . 1 1 26 26 SER N N 26 121.159 121.159 116.726 4.433 18438 6920 1 16 . 1 1 26 26 SER HA H 26 4.962 4.962 4.771 0.191 18438 6921 1 16 . 1 1 26 26 SER C C 26 174.732 174.732 176.106 -1.374 18438 6922 1 16 . 1 1 26 26 SER CA C 26 56.600 56.600 57.267 -0.667 18438 6923 1 16 . 1 1 26 26 SER CB C 26 65.369 65.369 64.861 0.508 18438 6924 1 16 . 1 1 26 26 SER H H 26 8.841 8.841 8.511 0.330 18438 6925 1 16 . 1 1 27 27 LEU N N 27 121.372 121.372 123.226 -1.854 18438 6926 1 16 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.167 -0.062 18438 6927 1 16 . 1 1 27 27 LEU C C 27 177.935 177.935 177.965 -0.030 18438 6928 1 16 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.024 0.803 18438 6929 1 16 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.872 -0.931 18438 6930 1 16 . 1 1 27 27 LEU H H 27 9.303 9.303 9.271 0.032 18438 6931 1 16 . 1 1 28 28 ALA N N 28 119.606 119.606 120.006 -0.400 18438 6932 1 16 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.068 0.094 18438 6933 1 16 . 1 1 28 28 ALA C C 28 180.279 180.279 179.366 0.913 18438 6934 1 16 . 1 1 28 28 ALA CA C 28 55.725 55.725 54.944 0.781 18438 6935 1 16 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.127 0.120 18438 6936 1 16 . 1 1 28 28 ALA H H 28 8.509 8.509 8.191 0.318 18438 6937 1 16 . 1 1 29 29 LYS N N 29 120.138 120.138 119.661 0.477 18438 6938 1 16 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.186 -0.057 18438 6939 1 16 . 1 1 29 29 LYS C C 29 178.950 178.950 179.052 -0.102 18438 6940 1 16 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.344 0.241 18438 6941 1 16 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.243 0.240 18438 6942 1 16 . 1 1 29 29 LYS H H 29 7.873 7.873 7.505 0.368 18438 6943 1 16 . 1 1 30 30 ILE N N 30 119.535 119.535 119.527 0.008 18438 6944 1 16 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.720 -0.215 18438 6945 1 16 . 1 1 30 30 ILE C C 30 177.466 177.466 177.705 -0.239 18438 6946 1 16 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.113 0.248 18438 6947 1 16 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.104 0.518 18438 6948 1 16 . 1 1 30 30 ILE H H 30 8.505 8.505 8.357 0.148 18438 6949 1 16 . 1 1 31 31 TYR N N 31 119.439 119.439 120.885 -1.446 18438 6950 1 16 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.003 -0.035 18438 6951 1 16 . 1 1 31 31 TYR C C 31 175.513 175.513 177.381 -1.868 18438 6952 1 16 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.215 -1.315 18438 6953 1 16 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.304 -0.365 18438 6954 1 16 . 1 1 31 31 TYR H H 31 9.231 9.231 8.156 1.075 18438 6955 1 16 . 1 1 32 32 THR N N 32 113.378 113.378 114.707 -1.329 18438 6956 1 16 . 1 1 32 32 THR HA H 32 3.314 3.314 3.808 -0.494 18438 6957 1 16 . 1 1 32 32 THR C C 32 175.435 175.435 176.455 -1.020 18438 6958 1 16 . 1 1 32 32 THR CA C 32 66.900 66.900 66.599 0.301 18438 6959 1 16 . 1 1 32 32 THR CB C 32 68.631 68.631 68.559 0.072 18438 6960 1 16 . 1 1 32 32 THR H H 32 7.936 7.936 7.620 0.316 18438 6961 1 16 . 1 1 33 33 GLU N N 33 117.565 117.565 119.355 -1.790 18438 6962 1 16 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.139 -0.089 18438 6963 1 16 . 1 1 33 33 GLU C C 33 178.716 178.716 178.652 0.064 18438 6964 1 16 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.293 -1.093 18438 6965 1 16 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.180 0.783 18438 6966 1 16 . 1 1 33 33 GLU H H 33 7.359 7.359 7.524 -0.165 18438 6967 1 16 . 1 1 34 34 ALA N N 34 124.323 124.323 122.253 2.070 18438 6968 1 16 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.909 -0.280 18438 6969 1 16 . 1 1 34 34 ALA C C 34 177.232 177.232 177.849 -0.617 18438 6970 1 16 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.138 0.516 18438 6971 1 16 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.654 -0.363 18438 6972 1 16 . 1 1 34 34 ALA H H 34 8.940 8.940 7.606 1.334 18438 6973 1 16 . 1 1 35 35 LYS N N 35 110.920 110.920 114.150 -3.230 18438 6974 1 16 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.377 -0.598 18438 6975 1 16 . 1 1 35 35 LYS C C 35 176.060 176.060 176.829 -0.769 18438 6976 1 16 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.898 -0.194 18438 6977 1 16 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.352 -0.554 18438 6978 1 16 . 1 1 35 35 LYS H H 35 7.277 7.277 7.362 -0.085 18438 6979 1 16 . 1 1 36 36 LYS N N 36 116.850 116.850 118.121 -1.271 18438 6980 1 16 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.075 -0.155 18438 6981 1 16 . 1 1 36 36 LYS C C 36 177.544 177.544 176.985 0.559 18438 6982 1 16 . 1 1 36 36 LYS CA C 36 56.783 56.783 57.182 -0.399 18438 6983 1 16 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.603 0.441 18438 6984 1 16 . 1 1 36 36 LYS H H 36 6.808 6.808 7.328 -0.520 18438 6985 1 16 . 1 1 37 37 VAL N N 37 120.331 120.331 117.656 2.675 18438 6986 1 16 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.180 -0.036 18438 6987 1 16 . 1 1 37 37 VAL C C 37 177.134 177.134 175.425 1.709 18438 6988 1 16 . 1 1 37 37 VAL CA C 37 60.228 60.228 59.363 0.865 18438 6989 1 16 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.090 -0.029 18438 6990 1 16 . 1 1 37 37 VAL H H 37 7.413 7.413 7.233 0.180 18438 6991 1 16 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.442 -0.136 18438 6992 1 16 . 1 1 38 38 PRO C C 38 176.763 176.763 176.710 0.053 18438 6993 1 16 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.320 1.100 18438 6994 1 16 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.092 -0.131 18438 6995 1 16 . 1 1 39 39 TRP N N 39 110.211 110.211 117.270 -7.059 18438 6996 1 16 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.676 0.048 18438 6997 1 16 . 1 1 39 39 TRP C C 39 176.216 176.216 175.919 0.297 18438 6998 1 16 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.990 -1.490 18438 6999 1 16 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.557 0.370 18438 7000 1 16 . 1 1 39 39 TRP H H 39 6.356 6.356 7.479 -1.123 18438 7001 1 16 . 1 1 40 40 PHE N N 40 124.624 124.624 122.890 1.734 18438 7002 1 16 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.055 -0.359 18438 7003 1 16 . 1 1 40 40 PHE C C 40 174.966 174.966 175.113 -0.147 18438 7004 1 16 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.683 1.525 18438 7005 1 16 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.550 0.228 18438 7006 1 16 . 1 1 40 40 PHE H H 40 7.282 7.282 6.937 0.345 18438 7007 1 16 . 1 1 41 41 ASP N N 41 127.204 127.204 126.176 1.028 18438 7008 1 16 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.745 -0.103 18438 7009 1 16 . 1 1 41 41 ASP C C 41 175.904 175.904 175.695 0.209 18438 7010 1 16 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.031 0.298 18438 7011 1 16 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.890 -1.610 18438 7012 1 16 . 1 1 41 41 ASP H H 41 7.038 7.038 7.824 -0.786 18438 7013 1 16 . 1 1 42 42 GLN N N 42 125.531 125.531 123.358 2.173 18438 7014 1 16 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.503 -0.326 18438 7015 1 16 . 1 1 42 42 GLN C C 42 178.169 178.169 176.328 1.841 18438 7016 1 16 . 1 1 42 42 GLN CA C 42 57.959 57.959 56.902 1.057 18438 7017 1 16 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.376 -0.854 18438 7018 1 16 . 1 1 42 42 GLN H H 42 9.072 9.072 8.831 0.241 18438 7019 1 16 . 1 1 43 43 GLN N N 43 118.221 118.221 118.871 -0.650 18438 7020 1 16 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.339 -0.012 18438 7021 1 16 . 1 1 43 43 GLN C C 43 177.154 177.154 177.617 -0.463 18438 7022 1 16 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.043 1.098 18438 7023 1 16 . 1 1 43 43 GLN CB C 43 29.254 29.254 30.049 -0.795 18438 7024 1 16 . 1 1 43 43 GLN H H 43 8.356 8.356 8.128 0.228 18438 7025 1 16 . 1 1 44 44 ASN N N 44 115.402 115.402 118.571 -3.169 18438 7026 1 16 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.304 0.427 18438 7027 1 16 . 1 1 44 44 ASN C C 44 175.200 175.200 176.881 -1.681 18438 7028 1 16 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.983 -2.383 18438 7029 1 16 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.246 2.813 18438 7030 1 16 . 1 1 44 44 ASN H H 44 8.163 8.163 8.436 -0.273 18438 7031 1 16 . 1 1 45 45 GLY N N 45 109.680 109.680 108.489 1.191 18438 7032 1 16 . 1 1 45 45 GLY C C 45 175.200 175.200 175.729 -0.529 18438 7033 1 16 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.467 1.733 18438 7034 1 16 . 1 1 45 45 GLY H H 45 8.094 8.094 7.864 0.230 18438 7035 1 16 . 1 1 46 46 ARG N N 46 121.367 121.367 120.683 0.684 18438 7036 1 16 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.401 -0.512 18438 7037 1 16 . 1 1 46 46 ARG C C 46 178.091 178.091 178.259 -0.168 18438 7038 1 16 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.028 1.842 18438 7039 1 16 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.517 -0.234 18438 7040 1 16 . 1 1 46 46 ARG H H 46 8.893 8.893 7.800 1.093 18438 7041 1 16 . 1 1 47 47 THR N N 47 116.630 116.630 117.194 -0.564 18438 7042 1 16 . 1 1 47 47 THR HA H 47 3.668 3.668 4.135 -0.467 18438 7043 1 16 . 1 1 47 47 THR C C 47 176.060 176.060 176.999 -0.939 18438 7044 1 16 . 1 1 47 47 THR CA C 47 66.345 66.345 66.926 -0.581 18438 7045 1 16 . 1 1 47 47 THR CB C 47 67.794 67.794 68.357 -0.563 18438 7046 1 16 . 1 1 47 47 THR H H 47 7.397 7.397 7.589 -0.192 18438 7047 1 16 . 1 1 48 48 TYR N N 48 120.826 120.826 120.996 -0.170 18438 7048 1 16 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.274 0.139 18438 7049 1 16 . 1 1 48 48 TYR C C 48 180.279 180.279 178.217 2.062 18438 7050 1 16 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.336 -1.416 18438 7051 1 16 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.963 -1.863 18438 7052 1 16 . 1 1 48 48 TYR H H 48 7.529 7.529 7.795 -0.266 18438 7053 1 16 . 1 1 49 49 LEU N N 49 120.670 120.670 119.843 0.827 18438 7054 1 16 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.024 0.039 18438 7055 1 16 . 1 1 49 49 LEU C C 49 178.091 178.091 178.781 -0.690 18438 7056 1 16 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.734 0.525 18438 7057 1 16 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.546 0.713 18438 7058 1 16 . 1 1 49 49 LEU H H 49 8.847 8.847 8.546 0.301 18438 7059 1 16 . 1 1 50 50 LYS N N 50 119.596 119.596 120.440 -0.844 18438 7060 1 16 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.820 -0.050 18438 7061 1 16 . 1 1 50 50 LYS C C 50 179.263 179.263 179.121 0.142 18438 7062 1 16 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.712 0.924 18438 7063 1 16 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.222 -0.224 18438 7064 1 16 . 1 1 50 50 LYS H H 50 8.001 8.001 7.960 0.041 18438 7065 1 16 . 1 1 51 51 TYR N N 51 118.606 118.606 117.693 0.913 18438 7066 1 16 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.387 -0.088 18438 7067 1 16 . 1 1 51 51 TYR C C 51 179.107 179.107 178.219 0.888 18438 7068 1 16 . 1 1 51 51 TYR CA C 51 60.238 60.238 60.858 -0.620 18438 7069 1 16 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.607 -1.270 18438 7070 1 16 . 1 1 51 51 TYR H H 51 8.274 8.274 8.084 0.190 18438 7071 1 16 . 1 1 52 52 SER N N 52 117.699 117.699 116.293 1.406 18438 7072 1 16 . 1 1 52 52 SER HA H 52 4.227 4.227 4.093 0.134 18438 7073 1 16 . 1 1 52 52 SER C C 52 175.669 175.669 176.571 -0.902 18438 7074 1 16 . 1 1 52 52 SER CA C 52 63.312 63.312 61.997 1.315 18438 7075 1 16 . 1 1 52 52 SER CB C 52 63.520 63.520 63.002 0.518 18438 7076 1 16 . 1 1 52 52 SER H H 52 8.303 8.303 8.082 0.221 18438 7077 1 16 . 1 1 53 53 ILE N N 53 121.571 121.571 121.990 -0.419 18438 7078 1 16 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.522 -0.241 18438 7079 1 16 . 1 1 53 53 ILE C C 53 176.685 176.685 177.307 -0.622 18438 7080 1 16 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.390 0.649 18438 7081 1 16 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.499 0.023 18438 7082 1 16 . 1 1 53 53 ILE H H 53 8.543 8.543 8.185 0.358 18438 7083 1 16 . 1 1 54 54 LYS N N 54 117.799 117.799 119.955 -2.156 18438 7084 1 16 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.779 0.098 18438 7085 1 16 . 1 1 54 54 LYS C C 54 179.107 179.107 178.865 0.242 18438 7086 1 16 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.839 0.013 18438 7087 1 16 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.208 -0.194 18438 7088 1 16 . 1 1 54 54 LYS H H 54 7.572 7.572 7.529 0.043 18438 7089 1 16 . 1 1 55 55 ALA N N 55 121.284 121.284 121.811 -0.527 18438 7090 1 16 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.151 -0.036 18438 7091 1 16 . 1 1 55 55 ALA C C 55 180.201 180.201 179.842 0.359 18438 7092 1 16 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.995 0.003 18438 7093 1 16 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.548 -0.628 18438 7094 1 16 . 1 1 55 55 ALA H H 55 7.669 7.669 7.858 -0.189 18438 7095 1 16 . 1 1 56 56 LEU N N 56 119.236 119.236 118.841 0.395 18438 7096 1 16 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.037 0.383 18438 7097 1 16 . 1 1 56 56 LEU C C 56 179.966 179.966 178.966 1.000 18438 7098 1 16 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.465 -1.371 18438 7099 1 16 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.760 0.601 18438 7100 1 16 . 1 1 56 56 LEU H H 56 8.302 8.302 7.946 0.356 18438 7101 1 16 . 1 1 57 57 VAL N N 57 122.357 122.357 119.407 2.950 18438 7102 1 16 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.976 0.391 18438 7103 1 16 . 1 1 57 57 VAL C C 57 180.669 180.669 178.674 1.995 18438 7104 1 16 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.246 -1.140 18438 7105 1 16 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.568 0.438 18438 7106 1 16 . 1 1 57 57 VAL H H 57 8.555 8.555 8.230 0.325 18438 7107 1 16 . 1 1 58 58 GLN N N 58 120.472 120.472 119.015 1.457 18438 7108 1 16 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.092 0.033 18438 7109 1 16 . 1 1 58 58 GLN C C 58 177.154 177.154 177.300 -0.146 18438 7110 1 16 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.430 0.390 18438 7111 1 16 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.753 -0.553 18438 7112 1 16 . 1 1 58 58 GLN H H 58 8.078 8.078 7.774 0.304 18438 7113 1 16 . 1 1 59 59 ASN N N 59 114.176 114.176 115.505 -1.329 18438 7114 1 16 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.831 0.048 18438 7115 1 16 . 1 1 59 59 ASN C C 59 175.122 175.122 174.331 0.791 18438 7116 1 16 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.373 -1.793 18438 7117 1 16 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.677 -0.981 18438 7118 1 16 . 1 1 59 59 ASN H H 59 7.704 7.704 7.790 -0.086 18438 7119 1 16 . 1 1 60 60 ASP N N 60 113.376 113.376 114.084 -0.708 18438 7120 1 16 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.439 0.024 18438 7121 1 16 . 1 1 60 60 ASP C C 60 175.279 175.279 176.666 -1.387 18438 7122 1 16 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.923 0.149 18438 7123 1 16 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.329 0.580 18438 7124 1 16 . 1 1 60 60 ASP H H 60 7.900 7.900 7.773 0.127 18438 7125 1 16 . 1 1 61 61 THR N N 61 117.382 117.382 112.922 4.460 18438 7126 1 16 . 1 1 61 61 THR HA H 61 4.097 4.097 4.183 -0.086 18438 7127 1 16 . 1 1 61 61 THR C C 61 174.966 174.966 174.238 0.728 18438 7128 1 16 . 1 1 61 61 THR CA C 61 67.141 67.141 65.916 1.225 18438 7129 1 16 . 1 1 61 61 THR CB C 61 68.143 68.143 69.769 -1.626 18438 7130 1 16 . 1 1 61 61 THR H H 61 8.776 8.776 8.285 0.491 18438 7131 1 16 . 1 1 62 62 LEU N N 62 118.406 118.406 119.168 -0.762 18438 7132 1 16 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.212 -0.049 18438 7133 1 16 . 1 1 62 62 LEU C C 62 175.122 175.122 175.832 -0.710 18438 7134 1 16 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.116 -1.275 18438 7135 1 16 . 1 1 62 62 LEU CB C 62 45.465 45.465 46.053 -0.588 18438 7136 1 16 . 1 1 62 62 LEU H H 62 7.653 7.653 7.551 0.102 18438 7137 1 16 . 1 1 63 63 LEU N N 63 119.075 119.075 120.557 -1.482 18438 7138 1 16 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.755 -0.105 18438 7139 1 16 . 1 1 63 63 LEU C C 63 175.904 175.904 175.715 0.189 18438 7140 1 16 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.794 -0.770 18438 7141 1 16 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.946 -0.905 18438 7142 1 16 . 1 1 63 63 LEU H H 63 9.145 9.145 8.593 0.552 18438 7143 1 16 . 1 1 64 64 GLN N N 64 123.978 123.978 124.537 -0.559 18438 7144 1 16 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.671 -0.095 18438 7145 1 16 . 1 1 64 64 GLN C C 64 175.435 175.435 175.371 0.064 18438 7146 1 16 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.478 -0.452 18438 7147 1 16 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.664 0.592 18438 7148 1 16 . 1 1 64 64 GLN H H 64 8.995 8.995 8.811 0.184 18438 7149 1 16 . 1 1 65 65 VAL N N 65 126.750 126.750 129.275 -2.525 18438 7150 1 16 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.111 -0.086 18438 7151 1 16 . 1 1 65 65 VAL C C 65 175.747 175.747 174.513 1.234 18438 7152 1 16 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.158 -0.238 18438 7153 1 16 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.128 1.374 18438 7154 1 16 . 1 1 65 65 VAL H H 65 8.520 8.520 8.813 -0.293 18438 7155 1 16 . 1 1 66 66 LYS N N 66 124.150 124.150 128.223 -4.073 18438 7156 1 16 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.415 -0.203 18438 7157 1 16 . 1 1 66 66 LYS C C 66 176.607 176.607 177.441 -0.834 18438 7158 1 16 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.321 1.455 18438 7159 1 16 . 1 1 66 66 LYS CB C 66 33.019 33.019 33.212 -0.193 18438 7160 1 16 . 1 1 66 66 LYS H H 66 8.311 8.311 8.159 0.152 18438 7161 1 16 . 1 1 67 67 GLY N N 67 109.952 109.952 109.287 0.665 18438 7162 1 16 . 1 1 67 67 GLY C C 67 173.716 173.716 175.378 -1.662 18438 7163 1 16 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.909 -1.007 18438 7164 1 16 . 1 1 67 67 GLY H H 67 8.401 8.401 8.949 -0.548 18438 7165 1 16 . 1 1 68 68 THR N N 68 111.619 111.619 113.405 -1.786 18438 7166 1 16 . 1 1 68 68 THR HA H 68 4.399 4.399 4.271 0.128 18438 7167 1 16 . 1 1 68 68 THR C C 68 175.279 175.279 176.076 -0.797 18438 7168 1 16 . 1 1 68 68 THR CA C 68 61.243 61.243 62.267 -1.024 18438 7169 1 16 . 1 1 68 68 THR CB C 68 69.860 69.860 69.607 0.253 18438 7170 1 16 . 1 1 68 68 THR H H 68 8.032 8.032 8.137 -0.105 18438 7171 1 16 . 1 1 69 69 GLY N N 69 111.951 111.951 110.457 1.494 18438 7172 1 16 . 1 1 69 69 GLY C C 69 174.572 174.572 173.535 1.037 18438 7173 1 16 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.544 1.036 18438 7174 1 16 . 1 1 69 69 GLY H H 69 8.581 8.581 8.116 0.465 18438 7175 1 16 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.479 -0.177 18438 7176 1 16 . 1 1 70 70 ALA C C 70 177.774 177.774 177.465 0.309 18438 7177 1 16 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.259 1.802 18438 7178 1 16 . 1 1 70 70 ALA CB C 70 18.921 18.921 19.674 -0.753 18438 7179 1 16 . 1 1 71 71 ASN N N 71 115.782 115.782 117.474 -1.692 18438 7180 1 16 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.637 0.243 18438 7181 1 16 . 1 1 71 71 ASN C C 71 174.966 174.966 175.196 -0.230 18438 7182 1 16 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.930 -1.186 18438 7183 1 16 . 1 1 71 71 ASN CB C 71 39.217 39.217 38.972 0.245 18438 7184 1 16 . 1 1 71 71 ASN H H 71 8.151 8.151 8.505 -0.354 18438 7185 1 16 . 1 1 72 72 GLY N N 72 107.783 107.783 108.719 -0.936 18438 7186 1 16 . 1 1 72 72 GLY C C 72 172.700 172.700 172.189 0.511 18438 7187 1 16 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.929 -0.027 18438 7188 1 16 . 1 1 72 72 GLY H H 72 8.051 8.051 7.430 0.621 18438 7189 1 16 . 1 1 73 73 SER N N 73 114.063 114.063 120.191 -6.128 18438 7190 1 16 . 1 1 73 73 SER HA H 73 4.484 4.484 4.550 -0.066 18438 7191 1 16 . 1 1 73 73 SER C C 73 172.480 172.480 172.615 -0.135 18438 7192 1 16 . 1 1 73 73 SER CA C 73 56.717 56.717 57.856 -1.139 18438 7193 1 16 . 1 1 73 73 SER CB C 73 65.043 65.043 64.718 0.325 18438 7194 1 16 . 1 1 73 73 SER H H 73 7.761 7.761 7.977 -0.216 18438 7195 1 16 . 1 1 74 74 PHE N N 74 119.449 119.449 120.913 -1.464 18438 7196 1 16 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.718 -0.236 18438 7197 1 16 . 1 1 74 74 PHE C C 74 174.185 174.185 175.076 -0.891 18438 7198 1 16 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.053 1.408 18438 7199 1 16 . 1 1 74 74 PHE CB C 74 43.011 43.011 42.941 0.070 18438 7200 1 16 . 1 1 74 74 PHE H H 74 8.489 8.489 8.486 0.003 18438 7201 1 16 . 1 1 75 75 LYS N N 75 119.294 119.294 120.321 -1.027 18438 7202 1 16 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.857 0.102 18438 7203 1 16 . 1 1 75 75 LYS C C 75 175.669 175.669 174.557 1.112 18438 7204 1 16 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.345 -0.941 18438 7205 1 16 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.114 1.125 18438 7206 1 16 . 1 1 75 75 LYS H H 75 8.894 8.894 8.207 0.687 18438 7207 1 16 . 1 1 76 76 LEU N N 76 121.201 121.201 121.494 -0.293 18438 7208 1 16 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.359 0.013 18438 7209 1 16 . 1 1 76 76 LEU C C 76 177.075 177.075 177.227 -0.152 18438 7210 1 16 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.173 0.605 18438 7211 1 16 . 1 1 76 76 LEU CB C 76 41.641 41.641 41.841 -0.200 18438 7212 1 16 . 1 1 76 76 LEU H H 76 9.023 9.023 8.666 0.357 18438 7213 1 16 . 1 1 77 77 ASN N N 77 120.222 120.222 123.479 -3.257 18438 7214 1 16 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.761 -0.088 18438 7215 1 16 . 1 1 77 77 ASN C C 77 175.669 175.669 175.986 -0.317 18438 7216 1 16 . 1 1 77 77 ASN CA C 77 51.802 51.802 52.391 -0.589 18438 7217 1 16 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.022 -0.159 18438 7218 1 16 . 1 1 77 77 ASN H H 77 8.333 8.333 8.520 -0.187 18438 7219 1 16 . 1 1 78 78 ARG N N 78 125.225 125.225 124.246 0.979 18438 7220 1 16 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.176 0.037 18438 7221 1 16 . 1 1 78 78 ARG C C 78 176.607 176.607 177.660 -1.053 18438 7222 1 16 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.204 -0.828 18438 7223 1 16 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.358 -0.317 18438 7224 1 16 . 1 1 78 78 ARG H H 78 8.373 8.373 7.964 0.409 18438 7225 1 16 . 1 1 79 79 LYS N N 79 119.831 119.831 119.711 0.120 18438 7226 1 16 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.344 -0.139 18438 7227 1 16 . 1 1 79 79 LYS C C 79 177.075 177.075 176.989 0.086 18438 7228 1 16 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.365 1.778 18438 7229 1 16 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.965 0.376 18438 7230 1 16 . 1 1 79 79 LYS H H 79 8.095 8.095 8.093 0.002 18438 7231 1 16 . 1 1 80 80 LYS N N 80 119.767 119.767 121.036 -1.269 18438 7232 1 16 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.366 -0.062 18438 7233 1 16 . 1 1 80 80 LYS C C 80 176.607 176.607 177.681 -1.074 18438 7234 1 16 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.377 -2.292 18438 7235 1 16 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.059 0.958 18438 7236 1 16 . 1 1 80 80 LYS H H 80 7.671 7.671 7.859 -0.188 18438 7237 1 16 . 1 1 81 81 LEU N N 81 121.868 121.868 118.856 3.012 18438 7238 1 16 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.053 0.304 18438 7239 1 16 . 1 1 81 81 LEU C C 81 177.214 177.214 178.852 -1.638 18438 7240 1 16 . 1 1 81 81 LEU CA C 81 55.371 55.371 56.999 -1.628 18438 7241 1 16 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.671 0.816 18438 7242 1 16 . 1 1 81 81 LEU H H 81 7.996 7.996 7.916 0.080 18438 7243 1 16 . 1 1 82 82 GLU N N 82 120.499 120.499 118.102 2.397 18438 7244 1 16 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.352 -0.010 18438 7245 1 16 . 1 1 82 82 GLU C C 82 175.875 175.875 177.257 -1.382 18438 7246 1 16 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.952 -0.621 18438 7247 1 16 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.713 -0.391 18438 7248 1 16 . 1 1 82 82 GLU H H 82 8.262 8.262 7.793 0.469 18438 7249 1 17 . 1 1 3 3 MET HA H 3 4.270 4.270 4.487 -0.217 18438 7250 1 17 . 1 1 3 3 MET C C 3 175.362 175.362 176.014 -0.652 18438 7251 1 17 . 1 1 3 3 MET CA C 3 55.318 55.318 56.003 -0.685 18438 7252 1 17 . 1 1 3 3 MET CB C 3 32.724 32.724 34.392 -1.668 18438 7253 1 17 . 1 1 4 4 GLN N N 4 122.983 122.983 117.202 5.781 18438 7254 1 17 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.218 0.345 18438 7255 1 17 . 1 1 4 4 GLN C C 4 173.835 173.835 174.229 -0.394 18438 7256 1 17 . 1 1 4 4 GLN CA C 4 53.521 53.521 55.666 -2.146 18438 7257 1 17 . 1 1 4 4 GLN CB C 4 28.765 28.765 27.407 1.358 18438 7258 1 17 . 1 1 4 4 GLN H H 4 8.267 8.267 8.164 0.103 18438 7259 1 17 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.342 -0.374 18438 7260 1 17 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.929 1.063 18438 7261 1 17 . 1 1 5 5 PRO CB C 5 31.696 31.696 30.115 1.581 18438 7262 1 17 . 1 1 6 6 GLY C C 6 175.512 175.512 174.460 1.052 18438 7263 1 17 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.432 1.604 18438 7264 1 17 . 1 1 7 7 LYS N N 7 121.187 121.187 125.610 -4.423 18438 7265 1 17 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.114 0.038 18438 7266 1 17 . 1 1 7 7 LYS C C 7 179.107 179.107 176.890 2.217 18438 7267 1 17 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.240 0.715 18438 7268 1 17 . 1 1 7 7 LYS CB C 7 31.641 31.641 31.877 -0.236 18438 7269 1 17 . 1 1 7 7 LYS H H 7 7.788 7.788 7.891 -0.103 18438 7270 1 17 . 1 1 8 8 TYR N N 8 119.428 119.428 120.827 -1.399 18438 7271 1 17 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.679 -0.377 18438 7272 1 17 . 1 1 8 8 TYR C C 8 177.544 177.544 177.856 -0.312 18438 7273 1 17 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.535 2.066 18438 7274 1 17 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.123 0.047 18438 7275 1 17 . 1 1 8 8 TYR H H 8 8.197 8.197 8.138 0.059 18438 7276 1 17 . 1 1 9 9 SER N N 9 116.845 116.845 114.989 1.856 18438 7277 1 17 . 1 1 9 9 SER HA H 9 4.241 4.241 4.168 0.073 18438 7278 1 17 . 1 1 9 9 SER C C 9 175.982 175.982 176.708 -0.726 18438 7279 1 17 . 1 1 9 9 SER CA C 9 62.258 62.258 62.208 0.050 18438 7280 1 17 . 1 1 9 9 SER CB C 9 62.254 62.254 62.830 -0.575 18438 7281 1 17 . 1 1 9 9 SER H H 9 8.279 8.279 8.020 0.259 18438 7282 1 17 . 1 1 10 10 GLN N N 10 120.862 120.862 120.016 0.846 18438 7283 1 17 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.170 -0.084 18438 7284 1 17 . 1 1 10 10 GLN C C 10 177.779 177.779 178.515 -0.736 18438 7285 1 17 . 1 1 10 10 GLN CA C 10 58.742 58.742 57.984 0.758 18438 7286 1 17 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.379 -0.479 18438 7287 1 17 . 1 1 10 10 GLN H H 10 7.765 7.765 7.619 0.146 18438 7288 1 17 . 1 1 11 11 LEU N N 11 119.752 119.752 121.667 -1.915 18438 7289 1 17 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.173 0.221 18438 7290 1 17 . 1 1 11 11 LEU C C 11 180.357 180.357 178.710 1.647 18438 7291 1 17 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.929 -0.214 18438 7292 1 17 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.932 0.006 18438 7293 1 17 . 1 1 11 11 LEU H H 11 7.805 7.805 7.901 -0.096 18438 7294 1 17 . 1 1 12 12 VAL N N 12 122.619 122.619 118.888 3.731 18438 7295 1 17 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.492 -0.161 18438 7296 1 17 . 1 1 12 12 VAL C C 12 176.841 176.841 178.061 -1.220 18438 7297 1 17 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.058 1.359 18438 7298 1 17 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.551 -0.232 18438 7299 1 17 . 1 1 12 12 VAL H H 12 8.355 8.355 7.871 0.484 18438 7300 1 17 . 1 1 13 13 VAL N N 13 118.472 118.472 120.024 -1.552 18438 7301 1 17 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.534 -0.140 18438 7302 1 17 . 1 1 13 13 VAL C C 13 177.622 177.622 178.108 -0.486 18438 7303 1 17 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.039 0.728 18438 7304 1 17 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.467 0.437 18438 7305 1 17 . 1 1 13 13 VAL H H 13 7.636 7.636 7.648 -0.012 18438 7306 1 17 . 1 1 14 14 GLU N N 14 117.137 117.137 119.041 -1.904 18438 7307 1 17 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.059 0.015 18438 7308 1 17 . 1 1 14 14 GLU C C 14 179.576 179.576 179.241 0.335 18438 7309 1 17 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.495 -0.666 18438 7310 1 17 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.431 -0.031 18438 7311 1 17 . 1 1 14 14 GLU H H 14 8.642 8.642 8.125 0.517 18438 7312 1 17 . 1 1 15 15 THR N N 15 116.678 116.678 117.167 -0.489 18438 7313 1 17 . 1 1 15 15 THR HA H 15 3.859 3.859 4.054 -0.195 18438 7314 1 17 . 1 1 15 15 THR C C 15 175.669 175.669 176.349 -0.680 18438 7315 1 17 . 1 1 15 15 THR CA C 15 67.743 67.743 67.537 0.206 18438 7316 1 17 . 1 1 15 15 THR CB C 15 67.761 67.761 68.635 -0.874 18438 7317 1 17 . 1 1 15 15 THR H H 15 8.354 8.354 8.032 0.322 18438 7318 1 17 . 1 1 16 16 ILE N N 16 121.241 121.241 121.063 0.178 18438 7319 1 17 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.851 -0.347 18438 7320 1 17 . 1 1 16 16 ILE C C 16 179.576 179.576 178.023 1.553 18438 7321 1 17 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.638 2.216 18438 7322 1 17 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.699 0.509 18438 7323 1 17 . 1 1 16 16 ILE H H 16 8.342 8.342 7.985 0.357 18438 7324 1 17 . 1 1 17 17 ARG N N 17 120.540 120.540 120.182 0.358 18438 7325 1 17 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.045 -0.063 18438 7326 1 17 . 1 1 17 17 ARG C C 17 178.482 178.482 178.458 0.024 18438 7327 1 17 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.115 0.412 18438 7328 1 17 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.131 0.171 18438 7329 1 17 . 1 1 17 17 ARG H H 17 8.496 8.496 7.704 0.792 18438 7330 1 17 . 1 1 18 18 ARG N N 18 118.955 118.955 117.929 1.026 18438 7331 1 17 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.129 -0.139 18438 7332 1 17 . 1 1 18 18 ARG C C 18 178.794 178.794 178.479 0.315 18438 7333 1 17 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.176 0.839 18438 7334 1 17 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.984 0.127 18438 7335 1 17 . 1 1 18 18 ARG H H 18 8.257 8.257 8.087 0.170 18438 7336 1 17 . 1 1 19 19 LEU N N 19 118.486 118.486 116.641 1.845 18438 7337 1 17 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.339 -0.286 18438 7338 1 17 . 1 1 19 19 LEU C C 19 179.419 179.419 177.968 1.451 18438 7339 1 17 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.579 1.523 18438 7340 1 17 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.444 -0.148 18438 7341 1 17 . 1 1 19 19 LEU H H 19 8.179 8.179 7.782 0.397 18438 7342 1 17 . 1 1 20 20 GLY N N 20 104.303 104.303 106.088 -1.785 18438 7343 1 17 . 1 1 20 20 GLY C C 20 175.200 175.200 174.432 0.768 18438 7344 1 17 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.537 1.948 18438 7345 1 17 . 1 1 20 20 GLY H H 20 7.520 7.520 8.061 -0.541 18438 7346 1 17 . 1 1 21 21 GLU N N 21 118.725 118.725 118.079 0.646 18438 7347 1 17 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.088 0.132 18438 7348 1 17 . 1 1 21 21 GLU C C 21 179.280 179.280 176.548 2.732 18438 7349 1 17 . 1 1 21 21 GLU CA C 21 57.569 57.569 57.227 0.341 18438 7350 1 17 . 1 1 21 21 GLU CB C 21 29.980 29.980 29.687 0.293 18438 7351 1 17 . 1 1 21 21 GLU H H 21 8.674 8.674 7.976 0.698 18438 7352 1 17 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.476 -0.471 18438 7353 1 17 . 1 1 22 22 ARG C C 22 177.150 177.150 177.527 -0.377 18438 7354 1 17 . 1 1 22 22 ARG CA C 22 59.467 59.467 56.649 2.818 18438 7355 1 17 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.642 -0.689 18438 7356 1 17 . 1 1 23 23 ASN N N 23 114.707 114.707 116.597 -1.890 18438 7357 1 17 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.700 0.298 18438 7358 1 17 . 1 1 23 23 ASN C C 23 174.888 174.888 175.770 -0.882 18438 7359 1 17 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.311 -1.411 18438 7360 1 17 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.187 -1.683 18438 7361 1 17 . 1 1 23 23 ASN H H 23 8.662 8.662 8.361 0.301 18438 7362 1 17 . 1 1 24 24 GLY N N 24 104.147 104.147 107.558 -3.411 18438 7363 1 17 . 1 1 24 24 GLY C C 24 172.075 172.075 173.066 -0.991 18438 7364 1 17 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.553 0.147 18438 7365 1 17 . 1 1 24 24 GLY H H 24 7.130 7.130 7.948 -0.818 18438 7366 1 17 . 1 1 25 25 SER N N 25 113.134 113.134 117.677 -4.543 18438 7367 1 17 . 1 1 25 25 SER HA H 25 5.329 5.329 4.693 0.636 18438 7368 1 17 . 1 1 25 25 SER C C 25 173.716 173.716 174.678 -0.962 18438 7369 1 17 . 1 1 25 25 SER CA C 25 57.259 57.259 57.672 -0.413 18438 7370 1 17 . 1 1 25 25 SER CB C 25 66.600 66.600 64.227 2.373 18438 7371 1 17 . 1 1 25 25 SER H H 25 8.661 8.661 8.424 0.237 18438 7372 1 17 . 1 1 26 26 SER N N 26 121.159 121.159 122.961 -1.802 18438 7373 1 17 . 1 1 26 26 SER HA H 26 4.962 4.962 4.398 0.564 18438 7374 1 17 . 1 1 26 26 SER C C 26 174.732 174.732 176.151 -1.419 18438 7375 1 17 . 1 1 26 26 SER CA C 26 56.600 56.600 58.762 -2.162 18438 7376 1 17 . 1 1 26 26 SER CB C 26 65.369 65.369 63.552 1.817 18438 7377 1 17 . 1 1 26 26 SER H H 26 8.841 8.841 9.031 -0.190 18438 7378 1 17 . 1 1 27 27 LEU N N 27 121.372 121.372 126.777 -5.405 18438 7379 1 17 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.227 -0.122 18438 7380 1 17 . 1 1 27 27 LEU C C 27 177.935 177.935 178.077 -0.142 18438 7381 1 17 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.209 0.618 18438 7382 1 17 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.051 -1.110 18438 7383 1 17 . 1 1 27 27 LEU H H 27 9.303 9.303 8.206 1.097 18438 7384 1 17 . 1 1 28 28 ALA N N 28 119.606 119.606 119.663 -0.057 18438 7385 1 17 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.051 0.111 18438 7386 1 17 . 1 1 28 28 ALA C C 28 180.279 180.279 179.541 0.738 18438 7387 1 17 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.111 0.614 18438 7388 1 17 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.040 0.207 18438 7389 1 17 . 1 1 28 28 ALA H H 28 8.509 8.509 8.564 -0.055 18438 7390 1 17 . 1 1 29 29 LYS N N 29 120.138 120.138 120.050 0.088 18438 7391 1 17 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.238 -0.109 18438 7392 1 17 . 1 1 29 29 LYS C C 29 178.950 178.950 178.801 0.149 18438 7393 1 17 . 1 1 29 29 LYS CA C 29 58.585 58.585 57.814 0.771 18438 7394 1 17 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.102 0.381 18438 7395 1 17 . 1 1 29 29 LYS H H 29 7.873 7.873 7.646 0.227 18438 7396 1 17 . 1 1 30 30 ILE N N 30 119.535 119.535 120.456 -0.921 18438 7397 1 17 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.670 -0.165 18438 7398 1 17 . 1 1 30 30 ILE C C 30 177.466 177.466 177.493 -0.027 18438 7399 1 17 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.541 -0.180 18438 7400 1 17 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.110 0.512 18438 7401 1 17 . 1 1 30 30 ILE H H 30 8.505 8.505 8.309 0.196 18438 7402 1 17 . 1 1 31 31 TYR N N 31 119.439 119.439 120.805 -1.366 18438 7403 1 17 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.002 -0.034 18438 7404 1 17 . 1 1 31 31 TYR C C 31 175.513 175.513 177.409 -1.896 18438 7405 1 17 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.252 -1.352 18438 7406 1 17 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.384 -0.445 18438 7407 1 17 . 1 1 31 31 TYR H H 31 9.231 9.231 8.326 0.905 18438 7408 1 17 . 1 1 32 32 THR N N 32 113.378 113.378 114.119 -0.741 18438 7409 1 17 . 1 1 32 32 THR HA H 32 3.314 3.314 3.896 -0.582 18438 7410 1 17 . 1 1 32 32 THR C C 32 175.435 175.435 175.875 -0.440 18438 7411 1 17 . 1 1 32 32 THR CA C 32 66.900 66.900 66.060 0.840 18438 7412 1 17 . 1 1 32 32 THR CB C 32 68.631 68.631 68.575 0.056 18438 7413 1 17 . 1 1 32 32 THR H H 32 7.936 7.936 7.738 0.198 18438 7414 1 17 . 1 1 33 33 GLU N N 33 117.565 117.565 118.661 -1.096 18438 7415 1 17 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.233 -0.183 18438 7416 1 17 . 1 1 33 33 GLU C C 33 178.716 178.716 178.255 0.461 18438 7417 1 17 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.108 -0.907 18438 7418 1 17 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.498 0.465 18438 7419 1 17 . 1 1 33 33 GLU H H 33 7.359 7.359 7.546 -0.187 18438 7420 1 17 . 1 1 34 34 ALA N N 34 124.323 124.323 122.239 2.084 18438 7421 1 17 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.751 -0.122 18438 7422 1 17 . 1 1 34 34 ALA C C 34 177.232 177.232 178.206 -0.974 18438 7423 1 17 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.171 0.483 18438 7424 1 17 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.201 0.090 18438 7425 1 17 . 1 1 34 34 ALA H H 34 8.940 8.940 7.730 1.210 18438 7426 1 17 . 1 1 35 35 LYS N N 35 110.920 110.920 114.428 -3.508 18438 7427 1 17 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.748 -0.969 18438 7428 1 17 . 1 1 35 35 LYS C C 35 176.060 176.060 177.195 -1.135 18438 7429 1 17 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.628 -0.924 18438 7430 1 17 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.720 -0.922 18438 7431 1 17 . 1 1 35 35 LYS H H 35 7.277 7.277 7.383 -0.106 18438 7432 1 17 . 1 1 36 36 LYS N N 36 116.850 116.850 118.217 -1.367 18438 7433 1 17 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.180 -0.260 18438 7434 1 17 . 1 1 36 36 LYS C C 36 177.544 177.544 176.311 1.233 18438 7435 1 17 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.409 0.374 18438 7436 1 17 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.486 0.558 18438 7437 1 17 . 1 1 36 36 LYS H H 36 6.808 6.808 7.262 -0.454 18438 7438 1 17 . 1 1 37 37 VAL N N 37 120.331 120.331 120.045 0.286 18438 7439 1 17 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.277 -0.133 18438 7440 1 17 . 1 1 37 37 VAL C C 37 177.134 177.134 175.738 1.396 18438 7441 1 17 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.416 1.812 18438 7442 1 17 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.555 0.506 18438 7443 1 17 . 1 1 37 37 VAL H H 37 7.413 7.413 7.139 0.274 18438 7444 1 17 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.327 -0.021 18438 7445 1 17 . 1 1 38 38 PRO C C 38 176.763 176.763 176.855 -0.092 18438 7446 1 17 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.797 0.623 18438 7447 1 17 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.015 -0.054 18438 7448 1 17 . 1 1 39 39 TRP N N 39 110.211 110.211 116.329 -6.118 18438 7449 1 17 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.718 0.006 18438 7450 1 17 . 1 1 39 39 TRP C C 39 176.216 176.216 175.770 0.446 18438 7451 1 17 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.005 -1.505 18438 7452 1 17 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.814 0.114 18438 7453 1 17 . 1 1 39 39 TRP H H 39 6.356 6.356 7.353 -0.997 18438 7454 1 17 . 1 1 40 40 PHE N N 40 124.624 124.624 122.212 2.412 18438 7455 1 17 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.172 -0.476 18438 7456 1 17 . 1 1 40 40 PHE C C 40 174.966 174.966 175.012 -0.046 18438 7457 1 17 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.591 1.617 18438 7458 1 17 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.756 0.022 18438 7459 1 17 . 1 1 40 40 PHE H H 40 7.282 7.282 7.089 0.193 18438 7460 1 17 . 1 1 41 41 ASP N N 41 127.204 127.204 123.700 3.504 18438 7461 1 17 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.703 -0.061 18438 7462 1 17 . 1 1 41 41 ASP C C 41 175.904 175.904 175.838 0.066 18438 7463 1 17 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.006 0.323 18438 7464 1 17 . 1 1 41 41 ASP CB C 41 41.280 41.280 43.083 -1.803 18438 7465 1 17 . 1 1 41 41 ASP H H 41 7.038 7.038 7.777 -0.739 18438 7466 1 17 . 1 1 42 42 GLN N N 42 125.531 125.531 123.408 2.123 18438 7467 1 17 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.442 -0.265 18438 7468 1 17 . 1 1 42 42 GLN C C 42 178.169 178.169 176.862 1.307 18438 7469 1 17 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.330 0.629 18438 7470 1 17 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.669 -1.147 18438 7471 1 17 . 1 1 42 42 GLN H H 42 9.072 9.072 8.810 0.262 18438 7472 1 17 . 1 1 43 43 GLN N N 43 118.221 118.221 119.403 -1.182 18438 7473 1 17 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.386 -0.059 18438 7474 1 17 . 1 1 43 43 GLN C C 43 177.154 177.154 178.091 -0.937 18438 7475 1 17 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.153 0.988 18438 7476 1 17 . 1 1 43 43 GLN CB C 43 29.254 29.254 30.354 -1.100 18438 7477 1 17 . 1 1 43 43 GLN H H 43 8.356 8.356 8.287 0.069 18438 7478 1 17 . 1 1 44 44 ASN N N 44 115.402 115.402 119.163 -3.761 18438 7479 1 17 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.248 0.483 18438 7480 1 17 . 1 1 44 44 ASN C C 44 175.200 175.200 176.946 -1.746 18438 7481 1 17 . 1 1 44 44 ASN CA C 44 52.600 52.600 55.628 -3.028 18438 7482 1 17 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.282 2.777 18438 7483 1 17 . 1 1 44 44 ASN H H 44 8.163 8.163 8.392 -0.229 18438 7484 1 17 . 1 1 45 45 GLY N N 45 109.680 109.680 107.912 1.768 18438 7485 1 17 . 1 1 45 45 GLY C C 45 175.200 175.200 175.573 -0.373 18438 7486 1 17 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.418 1.782 18438 7487 1 17 . 1 1 45 45 GLY H H 45 8.094 8.094 7.899 0.195 18438 7488 1 17 . 1 1 46 46 ARG N N 46 121.367 121.367 120.764 0.603 18438 7489 1 17 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.384 -0.495 18438 7490 1 17 . 1 1 46 46 ARG C C 46 178.091 178.091 178.180 -0.089 18438 7491 1 17 . 1 1 46 46 ARG CA C 46 60.870 60.870 60.078 0.792 18438 7492 1 17 . 1 1 46 46 ARG CB C 46 29.283 29.283 30.165 -0.882 18438 7493 1 17 . 1 1 46 46 ARG H H 46 8.893 8.893 7.695 1.198 18438 7494 1 17 . 1 1 47 47 THR N N 47 116.630 116.630 116.734 -0.104 18438 7495 1 17 . 1 1 47 47 THR HA H 47 3.668 3.668 4.038 -0.370 18438 7496 1 17 . 1 1 47 47 THR C C 47 176.060 176.060 176.904 -0.844 18438 7497 1 17 . 1 1 47 47 THR CA C 47 66.345 66.345 67.025 -0.680 18438 7498 1 17 . 1 1 47 47 THR CB C 47 67.794 67.794 68.380 -0.586 18438 7499 1 17 . 1 1 47 47 THR H H 47 7.397 7.397 7.507 -0.110 18438 7500 1 17 . 1 1 48 48 TYR N N 48 120.826 120.826 120.127 0.699 18438 7501 1 17 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.250 0.163 18438 7502 1 17 . 1 1 48 48 TYR C C 48 180.279 180.279 178.266 2.013 18438 7503 1 17 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.606 -1.686 18438 7504 1 17 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.917 -1.817 18438 7505 1 17 . 1 1 48 48 TYR H H 48 7.529 7.529 7.520 0.009 18438 7506 1 17 . 1 1 49 49 LEU N N 49 120.670 120.670 121.184 -0.514 18438 7507 1 17 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.147 -0.084 18438 7508 1 17 . 1 1 49 49 LEU C C 49 178.091 178.091 179.080 -0.989 18438 7509 1 17 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.703 0.556 18438 7510 1 17 . 1 1 49 49 LEU CB C 49 42.259 42.259 42.021 0.238 18438 7511 1 17 . 1 1 49 49 LEU H H 49 8.847 8.847 8.358 0.489 18438 7512 1 17 . 1 1 50 50 LYS N N 50 119.596 119.596 119.766 -0.170 18438 7513 1 17 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.836 -0.066 18438 7514 1 17 . 1 1 50 50 LYS C C 50 179.263 179.263 179.109 0.154 18438 7515 1 17 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.732 0.905 18438 7516 1 17 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.330 -0.332 18438 7517 1 17 . 1 1 50 50 LYS H H 50 8.001 8.001 7.960 0.041 18438 7518 1 17 . 1 1 51 51 TYR N N 51 118.606 118.606 118.348 0.258 18438 7519 1 17 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.303 -0.004 18438 7520 1 17 . 1 1 51 51 TYR C C 51 179.107 179.107 178.061 1.046 18438 7521 1 17 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.283 -1.045 18438 7522 1 17 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.774 -1.437 18438 7523 1 17 . 1 1 51 51 TYR H H 51 8.274 8.274 8.345 -0.071 18438 7524 1 17 . 1 1 52 52 SER N N 52 117.699 117.699 116.874 0.825 18438 7525 1 17 . 1 1 52 52 SER HA H 52 4.227 4.227 4.205 0.022 18438 7526 1 17 . 1 1 52 52 SER C C 52 175.669 175.669 176.630 -0.961 18438 7527 1 17 . 1 1 52 52 SER CA C 52 63.312 63.312 62.265 1.047 18438 7528 1 17 . 1 1 52 52 SER CB C 52 63.520 63.520 63.195 0.325 18438 7529 1 17 . 1 1 52 52 SER H H 52 8.303 8.303 7.998 0.305 18438 7530 1 17 . 1 1 53 53 ILE N N 53 121.571 121.571 123.659 -2.088 18438 7531 1 17 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.487 -0.206 18438 7532 1 17 . 1 1 53 53 ILE C C 53 176.685 176.685 177.516 -0.831 18438 7533 1 17 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.436 0.603 18438 7534 1 17 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.349 0.173 18438 7535 1 17 . 1 1 53 53 ILE H H 53 8.543 8.543 8.278 0.265 18438 7536 1 17 . 1 1 54 54 LYS N N 54 117.799 117.799 119.664 -1.865 18438 7537 1 17 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.845 0.032 18438 7538 1 17 . 1 1 54 54 LYS C C 54 179.107 179.107 178.847 0.260 18438 7539 1 17 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.709 0.143 18438 7540 1 17 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.280 -0.266 18438 7541 1 17 . 1 1 54 54 LYS H H 54 7.572 7.572 7.887 -0.315 18438 7542 1 17 . 1 1 55 55 ALA N N 55 121.284 121.284 121.578 -0.294 18438 7543 1 17 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.178 -0.063 18438 7544 1 17 . 1 1 55 55 ALA C C 55 180.201 180.201 180.014 0.187 18438 7545 1 17 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.892 0.105 18438 7546 1 17 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.376 -0.456 18438 7547 1 17 . 1 1 55 55 ALA H H 55 7.669 7.669 7.823 -0.154 18438 7548 1 17 . 1 1 56 56 LEU N N 56 119.236 119.236 118.561 0.675 18438 7549 1 17 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.084 0.336 18438 7550 1 17 . 1 1 56 56 LEU C C 56 179.966 179.966 178.689 1.277 18438 7551 1 17 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.209 -1.115 18438 7552 1 17 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.703 0.658 18438 7553 1 17 . 1 1 56 56 LEU H H 56 8.302 8.302 7.919 0.383 18438 7554 1 17 . 1 1 57 57 VAL N N 57 122.357 122.357 119.909 2.448 18438 7555 1 17 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.011 0.356 18438 7556 1 17 . 1 1 57 57 VAL C C 57 180.669 180.669 178.686 1.983 18438 7557 1 17 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.035 -0.929 18438 7558 1 17 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.562 0.444 18438 7559 1 17 . 1 1 57 57 VAL H H 57 8.555 8.555 8.156 0.399 18438 7560 1 17 . 1 1 58 58 GLN N N 58 120.472 120.472 118.757 1.715 18438 7561 1 17 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.062 0.063 18438 7562 1 17 . 1 1 58 58 GLN C C 58 177.154 177.154 176.999 0.155 18438 7563 1 17 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.626 0.194 18438 7564 1 17 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.716 -0.516 18438 7565 1 17 . 1 1 58 58 GLN H H 58 8.078 8.078 7.803 0.275 18438 7566 1 17 . 1 1 59 59 ASN N N 59 114.176 114.176 115.539 -1.363 18438 7567 1 17 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.828 0.051 18438 7568 1 17 . 1 1 59 59 ASN C C 59 175.122 175.122 174.797 0.325 18438 7569 1 17 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.405 -1.825 18438 7570 1 17 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.907 -1.211 18438 7571 1 17 . 1 1 59 59 ASN H H 59 7.704 7.704 7.803 -0.099 18438 7572 1 17 . 1 1 60 60 ASP N N 60 113.376 113.376 115.039 -1.663 18438 7573 1 17 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.318 0.145 18438 7574 1 17 . 1 1 60 60 ASP C C 60 175.279 175.279 175.924 -0.645 18438 7575 1 17 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.844 0.228 18438 7576 1 17 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.546 1.363 18438 7577 1 17 . 1 1 60 60 ASP H H 60 7.900 7.900 7.694 0.206 18438 7578 1 17 . 1 1 61 61 THR N N 61 117.382 117.382 111.642 5.740 18438 7579 1 17 . 1 1 61 61 THR HA H 61 4.097 4.097 4.214 -0.117 18438 7580 1 17 . 1 1 61 61 THR C C 61 174.966 174.966 174.093 0.873 18438 7581 1 17 . 1 1 61 61 THR CA C 61 67.141 67.141 65.397 1.744 18438 7582 1 17 . 1 1 61 61 THR CB C 61 68.143 68.143 69.980 -1.837 18438 7583 1 17 . 1 1 61 61 THR H H 61 8.776 8.776 8.281 0.495 18438 7584 1 17 . 1 1 62 62 LEU N N 62 118.406 118.406 119.724 -1.318 18438 7585 1 17 . 1 1 62 62 LEU HA H 62 5.163 5.163 4.987 0.176 18438 7586 1 17 . 1 1 62 62 LEU C C 62 175.122 175.122 175.543 -0.421 18438 7587 1 17 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.477 -1.636 18438 7588 1 17 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.631 -0.166 18438 7589 1 17 . 1 1 62 62 LEU H H 62 7.653 7.653 7.609 0.044 18438 7590 1 17 . 1 1 63 63 LEU N N 63 119.075 119.075 121.171 -2.096 18438 7591 1 17 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.783 -0.133 18438 7592 1 17 . 1 1 63 63 LEU C C 63 175.904 175.904 175.690 0.214 18438 7593 1 17 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.783 -0.759 18438 7594 1 17 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.934 0.107 18438 7595 1 17 . 1 1 63 63 LEU H H 63 9.145 9.145 8.824 0.321 18438 7596 1 17 . 1 1 64 64 GLN N N 64 123.978 123.978 125.197 -1.219 18438 7597 1 17 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.577 -0.001 18438 7598 1 17 . 1 1 64 64 GLN C C 64 175.435 175.435 175.015 0.420 18438 7599 1 17 . 1 1 64 64 GLN CA C 64 55.026 55.026 56.036 -1.010 18438 7600 1 17 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.096 0.160 18438 7601 1 17 . 1 1 64 64 GLN H H 64 8.995 8.995 8.801 0.194 18438 7602 1 17 . 1 1 65 65 VAL N N 65 126.750 126.750 130.114 -3.364 18438 7603 1 17 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.298 -0.273 18438 7604 1 17 . 1 1 65 65 VAL C C 65 175.747 175.747 174.116 1.631 18438 7605 1 17 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.055 0.865 18438 7606 1 17 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.481 1.021 18438 7607 1 17 . 1 1 65 65 VAL H H 65 8.520 8.520 8.816 -0.296 18438 7608 1 17 . 1 1 66 66 LYS N N 66 124.150 124.150 127.001 -2.851 18438 7609 1 17 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.433 -0.221 18438 7610 1 17 . 1 1 66 66 LYS C C 66 176.607 176.607 177.942 -1.335 18438 7611 1 17 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.536 1.240 18438 7612 1 17 . 1 1 66 66 LYS CB C 66 33.019 33.019 33.497 -0.478 18438 7613 1 17 . 1 1 66 66 LYS H H 66 8.311 8.311 8.394 -0.083 18438 7614 1 17 . 1 1 67 67 GLY N N 67 109.952 109.952 109.598 0.354 18438 7615 1 17 . 1 1 67 67 GLY C C 67 173.716 173.716 174.591 -0.875 18438 7616 1 17 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.580 -0.678 18438 7617 1 17 . 1 1 67 67 GLY H H 67 8.401 8.401 8.668 -0.267 18438 7618 1 17 . 1 1 68 68 THR N N 68 111.619 111.619 118.941 -7.322 18438 7619 1 17 . 1 1 68 68 THR HA H 68 4.399 4.399 4.314 0.085 18438 7620 1 17 . 1 1 68 68 THR C C 68 175.279 175.279 176.044 -0.765 18438 7621 1 17 . 1 1 68 68 THR CA C 68 61.243 61.243 61.994 -0.751 18438 7622 1 17 . 1 1 68 68 THR CB C 68 69.860 69.860 70.138 -0.278 18438 7623 1 17 . 1 1 68 68 THR H H 68 8.032 8.032 7.750 0.282 18438 7624 1 17 . 1 1 69 69 GLY N N 69 111.951 111.951 113.894 -1.943 18438 7625 1 17 . 1 1 69 69 GLY C C 69 174.572 174.572 173.261 1.311 18438 7626 1 17 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.417 0.163 18438 7627 1 17 . 1 1 69 69 GLY H H 69 8.581 8.581 8.623 -0.042 18438 7628 1 17 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.248 0.054 18438 7629 1 17 . 1 1 70 70 ALA C C 70 177.774 177.774 175.714 2.060 18438 7630 1 17 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.278 0.783 18438 7631 1 17 . 1 1 70 70 ALA CB C 70 18.921 18.921 20.411 -1.490 18438 7632 1 17 . 1 1 71 71 ASN N N 71 115.782 115.782 119.714 -3.932 18438 7633 1 17 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.757 0.123 18438 7634 1 17 . 1 1 71 71 ASN C C 71 174.966 174.966 174.544 0.422 18438 7635 1 17 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.824 -1.080 18438 7636 1 17 . 1 1 71 71 ASN CB C 71 39.217 39.217 40.052 -0.835 18438 7637 1 17 . 1 1 71 71 ASN H H 71 8.151 8.151 8.041 0.110 18438 7638 1 17 . 1 1 72 72 GLY N N 72 107.783 107.783 112.346 -4.563 18438 7639 1 17 . 1 1 72 72 GLY C C 72 172.700 172.700 173.740 -1.040 18438 7640 1 17 . 1 1 72 72 GLY CA C 72 44.902 44.902 45.059 -0.157 18438 7641 1 17 . 1 1 72 72 GLY H H 72 8.051 8.051 8.579 -0.528 18438 7642 1 17 . 1 1 73 73 SER N N 73 114.063 114.063 116.721 -2.658 18438 7643 1 17 . 1 1 73 73 SER HA H 73 4.484 4.484 4.428 0.056 18438 7644 1 17 . 1 1 73 73 SER C C 73 172.480 172.480 172.678 -0.198 18438 7645 1 17 . 1 1 73 73 SER CA C 73 56.717 56.717 58.365 -1.648 18438 7646 1 17 . 1 1 73 73 SER CB C 73 65.043 65.043 64.519 0.524 18438 7647 1 17 . 1 1 73 73 SER H H 73 7.761 7.761 7.895 -0.134 18438 7648 1 17 . 1 1 74 74 PHE N N 74 119.449 119.449 121.035 -1.586 18438 7649 1 17 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.612 -0.130 18438 7650 1 17 . 1 1 74 74 PHE C C 74 174.185 174.185 174.927 -0.742 18438 7651 1 17 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.341 1.120 18438 7652 1 17 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.281 -0.270 18438 7653 1 17 . 1 1 74 74 PHE H H 74 8.489 8.489 8.543 -0.054 18438 7654 1 17 . 1 1 75 75 LYS N N 75 119.294 119.294 120.564 -1.270 18438 7655 1 17 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.874 0.085 18438 7656 1 17 . 1 1 75 75 LYS C C 75 175.669 175.669 174.663 1.006 18438 7657 1 17 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.261 -0.857 18438 7658 1 17 . 1 1 75 75 LYS CB C 75 37.239 37.239 35.991 1.248 18438 7659 1 17 . 1 1 75 75 LYS H H 75 8.894 8.894 8.365 0.529 18438 7660 1 17 . 1 1 76 76 LEU N N 76 121.201 121.201 121.756 -0.555 18438 7661 1 17 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.282 0.091 18438 7662 1 17 . 1 1 76 76 LEU C C 76 177.075 177.075 177.554 -0.479 18438 7663 1 17 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.800 -0.022 18438 7664 1 17 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.464 -0.823 18438 7665 1 17 . 1 1 76 76 LEU H H 76 9.023 9.023 8.692 0.331 18438 7666 1 17 . 1 1 77 77 ASN N N 77 120.222 120.222 120.478 -0.256 18438 7667 1 17 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.751 -0.078 18438 7668 1 17 . 1 1 77 77 ASN C C 77 175.669 175.669 175.662 0.007 18438 7669 1 17 . 1 1 77 77 ASN CA C 77 51.802 51.802 51.979 -0.177 18438 7670 1 17 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.499 -0.636 18438 7671 1 17 . 1 1 77 77 ASN H H 77 8.333 8.333 8.608 -0.275 18438 7672 1 17 . 1 1 78 78 ARG N N 78 125.225 125.225 119.615 5.610 18438 7673 1 17 . 1 1 78 78 ARG HA H 78 4.213 4.213 3.855 0.358 18438 7674 1 17 . 1 1 78 78 ARG C C 78 176.607 176.607 175.222 1.385 18438 7675 1 17 . 1 1 78 78 ARG CA C 78 57.376 57.376 59.097 -1.721 18438 7676 1 17 . 1 1 78 78 ARG CB C 78 30.041 30.041 28.901 1.140 18438 7677 1 17 . 1 1 78 78 ARG H H 78 8.373 8.373 8.450 -0.077 18438 7678 1 17 . 1 1 79 79 LYS N N 79 119.831 119.831 118.429 1.402 18438 7679 1 17 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.431 -0.226 18438 7680 1 17 . 1 1 79 79 LYS C C 79 177.075 177.075 177.856 -0.781 18438 7681 1 17 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.914 1.228 18438 7682 1 17 . 1 1 79 79 LYS CB C 79 32.341 32.341 33.465 -1.124 18438 7683 1 17 . 1 1 79 79 LYS H H 79 8.095 8.095 8.095 0.000 18438 7684 1 17 . 1 1 80 80 LYS N N 80 119.767 119.767 122.163 -2.396 18438 7685 1 17 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.026 0.278 18438 7686 1 17 . 1 1 80 80 LYS C C 80 176.607 176.607 177.735 -1.128 18438 7687 1 17 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.646 -2.561 18438 7688 1 17 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.903 1.114 18438 7689 1 17 . 1 1 80 80 LYS H H 80 7.671 7.671 7.879 -0.208 18438 7690 1 17 . 1 1 81 81 LEU N N 81 121.868 121.868 119.104 2.764 18438 7691 1 17 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.014 0.343 18438 7692 1 17 . 1 1 81 81 LEU C C 81 177.214 177.214 177.989 -0.775 18438 7693 1 17 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.367 -1.996 18438 7694 1 17 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.167 0.320 18438 7695 1 17 . 1 1 81 81 LEU H H 81 7.996 7.996 8.102 -0.106 18438 7696 1 17 . 1 1 82 82 GLU N N 82 120.499 120.499 116.189 4.310 18438 7697 1 17 . 1 1 82 82 GLU HA H 82 4.342 4.342 3.918 0.424 18438 7698 1 17 . 1 1 82 82 GLU C C 82 175.875 175.875 177.087 -1.212 18438 7699 1 17 . 1 1 82 82 GLU CA C 82 56.331 56.331 58.089 -1.758 18438 7700 1 17 . 1 1 82 82 GLU CB C 82 30.322 30.322 28.003 2.319 18438 7701 1 17 . 1 1 82 82 GLU H H 82 8.262 8.262 8.162 0.100 18438 7702 1 18 . 1 1 3 3 MET HA H 3 4.270 4.270 4.667 -0.397 18438 7703 1 18 . 1 1 3 3 MET C C 3 175.362 175.362 175.418 -0.056 18438 7704 1 18 . 1 1 3 3 MET CA C 3 55.318 55.318 54.901 0.417 18438 7705 1 18 . 1 1 3 3 MET CB C 3 32.724 32.724 33.497 -0.773 18438 7706 1 18 . 1 1 4 4 GLN N N 4 122.983 122.983 123.414 -0.431 18438 7707 1 18 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.585 -0.022 18438 7708 1 18 . 1 1 4 4 GLN C C 4 173.835 173.835 174.772 -0.937 18438 7709 1 18 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.834 -0.313 18438 7710 1 18 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.810 -0.045 18438 7711 1 18 . 1 1 4 4 GLN H H 4 8.267 8.267 8.459 -0.192 18438 7712 1 18 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.245 -0.277 18438 7713 1 18 . 1 1 5 5 PRO CA C 5 63.992 63.992 63.391 0.602 18438 7714 1 18 . 1 1 5 5 PRO CB C 5 31.696 31.696 30.679 1.017 18438 7715 1 18 . 1 1 6 6 GLY C C 6 175.512 175.512 174.491 1.021 18438 7716 1 18 . 1 1 6 6 GLY CA C 6 46.036 46.036 45.248 0.787 18438 7717 1 18 . 1 1 7 7 LYS N N 7 121.187 121.187 120.447 0.740 18438 7718 1 18 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.002 0.150 18438 7719 1 18 . 1 1 7 7 LYS C C 7 179.107 179.107 177.083 2.024 18438 7720 1 18 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.819 0.136 18438 7721 1 18 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.070 -0.429 18438 7722 1 18 . 1 1 7 7 LYS H H 7 7.788 7.788 8.608 -0.820 18438 7723 1 18 . 1 1 8 8 TYR N N 8 119.428 119.428 119.173 0.255 18438 7724 1 18 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.583 -0.281 18438 7725 1 18 . 1 1 8 8 TYR C C 8 177.544 177.544 178.007 -0.463 18438 7726 1 18 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.384 2.216 18438 7727 1 18 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.395 -0.225 18438 7728 1 18 . 1 1 8 8 TYR H H 8 8.197 8.197 8.246 -0.049 18438 7729 1 18 . 1 1 9 9 SER N N 9 116.845 116.845 115.233 1.612 18438 7730 1 18 . 1 1 9 9 SER HA H 9 4.241 4.241 4.222 0.019 18438 7731 1 18 . 1 1 9 9 SER C C 9 175.982 175.982 177.067 -1.085 18438 7732 1 18 . 1 1 9 9 SER CA C 9 62.258 62.258 61.721 0.537 18438 7733 1 18 . 1 1 9 9 SER CB C 9 62.254 62.254 62.682 -0.428 18438 7734 1 18 . 1 1 9 9 SER H H 9 8.279 8.279 7.914 0.365 18438 7735 1 18 . 1 1 10 10 GLN N N 10 120.862 120.862 121.402 -0.540 18438 7736 1 18 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.175 -0.089 18438 7737 1 18 . 1 1 10 10 GLN C C 10 177.779 177.779 178.644 -0.865 18438 7738 1 18 . 1 1 10 10 GLN CA C 10 58.742 58.742 57.971 0.771 18438 7739 1 18 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.104 -0.204 18438 7740 1 18 . 1 1 10 10 GLN H H 10 7.765 7.765 8.023 -0.258 18438 7741 1 18 . 1 1 11 11 LEU N N 11 119.752 119.752 121.806 -2.054 18438 7742 1 18 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.207 0.187 18438 7743 1 18 . 1 1 11 11 LEU C C 11 180.357 180.357 178.966 1.391 18438 7744 1 18 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.728 -0.014 18438 7745 1 18 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.876 0.062 18438 7746 1 18 . 1 1 11 11 LEU H H 11 7.805 7.805 7.942 -0.137 18438 7747 1 18 . 1 1 12 12 VAL N N 12 122.619 122.619 118.783 3.836 18438 7748 1 18 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.594 -0.263 18438 7749 1 18 . 1 1 12 12 VAL C C 12 176.841 176.841 178.139 -1.298 18438 7750 1 18 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.414 1.003 18438 7751 1 18 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.311 0.009 18438 7752 1 18 . 1 1 12 12 VAL H H 12 8.355 8.355 7.913 0.442 18438 7753 1 18 . 1 1 13 13 VAL N N 13 118.472 118.472 119.928 -1.456 18438 7754 1 18 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.588 -0.194 18438 7755 1 18 . 1 1 13 13 VAL C C 13 177.622 177.622 178.147 -0.525 18438 7756 1 18 . 1 1 13 13 VAL CA C 13 67.767 67.767 67.409 0.358 18438 7757 1 18 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.494 0.410 18438 7758 1 18 . 1 1 13 13 VAL H H 13 7.636 7.636 7.720 -0.084 18438 7759 1 18 . 1 1 14 14 GLU N N 14 117.137 117.137 118.703 -1.566 18438 7760 1 18 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.072 0.002 18438 7761 1 18 . 1 1 14 14 GLU C C 14 179.576 179.576 179.257 0.319 18438 7762 1 18 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.446 -0.617 18438 7763 1 18 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.337 0.063 18438 7764 1 18 . 1 1 14 14 GLU H H 14 8.642 8.642 8.057 0.585 18438 7765 1 18 . 1 1 15 15 THR N N 15 116.678 116.678 117.561 -0.883 18438 7766 1 18 . 1 1 15 15 THR HA H 15 3.859 3.859 4.116 -0.257 18438 7767 1 18 . 1 1 15 15 THR C C 15 175.669 175.669 176.513 -0.844 18438 7768 1 18 . 1 1 15 15 THR CA C 15 67.743 67.743 67.166 0.577 18438 7769 1 18 . 1 1 15 15 THR CB C 15 67.761 67.761 68.628 -0.867 18438 7770 1 18 . 1 1 15 15 THR H H 15 8.354 8.354 8.045 0.309 18438 7771 1 18 . 1 1 16 16 ILE N N 16 121.241 121.241 121.583 -0.342 18438 7772 1 18 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.781 -0.277 18438 7773 1 18 . 1 1 16 16 ILE C C 16 179.576 179.576 177.248 2.328 18438 7774 1 18 . 1 1 16 16 ILE CA C 16 66.854 66.854 64.966 1.888 18438 7775 1 18 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.573 0.635 18438 7776 1 18 . 1 1 16 16 ILE H H 16 8.342 8.342 8.121 0.221 18438 7777 1 18 . 1 1 17 17 ARG N N 17 120.540 120.540 120.676 -0.136 18438 7778 1 18 . 1 1 17 17 ARG HA H 17 3.982 3.982 3.994 -0.012 18438 7779 1 18 . 1 1 17 17 ARG C C 17 178.482 178.482 178.091 0.391 18438 7780 1 18 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.402 0.125 18438 7781 1 18 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.401 -0.100 18438 7782 1 18 . 1 1 17 17 ARG H H 17 8.496 8.496 7.933 0.563 18438 7783 1 18 . 1 1 18 18 ARG N N 18 118.955 118.955 117.722 1.233 18438 7784 1 18 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.152 -0.162 18438 7785 1 18 . 1 1 18 18 ARG C C 18 178.794 178.794 178.158 0.636 18438 7786 1 18 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.300 0.715 18438 7787 1 18 . 1 1 18 18 ARG CB C 18 30.111 30.111 29.762 0.348 18438 7788 1 18 . 1 1 18 18 ARG H H 18 8.257 8.257 7.997 0.260 18438 7789 1 18 . 1 1 19 19 LEU N N 19 118.486 118.486 117.672 0.814 18438 7790 1 18 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.337 -0.284 18438 7791 1 18 . 1 1 19 19 LEU C C 19 179.419 179.419 177.510 1.909 18438 7792 1 18 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.328 1.774 18438 7793 1 18 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.461 -0.165 18438 7794 1 18 . 1 1 19 19 LEU H H 19 8.179 8.179 7.461 0.718 18438 7795 1 18 . 1 1 20 20 GLY N N 20 104.303 104.303 106.747 -2.444 18438 7796 1 18 . 1 1 20 20 GLY C C 20 175.200 175.200 174.450 0.750 18438 7797 1 18 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.466 2.019 18438 7798 1 18 . 1 1 20 20 GLY H H 20 7.520 7.520 7.780 -0.260 18438 7799 1 18 . 1 1 21 21 GLU N N 21 118.725 118.725 119.335 -0.610 18438 7800 1 18 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.258 -0.039 18438 7801 1 18 . 1 1 21 21 GLU C C 21 179.280 179.280 176.770 2.510 18438 7802 1 18 . 1 1 21 21 GLU CA C 21 57.569 57.569 57.321 0.248 18438 7803 1 18 . 1 1 21 21 GLU CB C 21 29.980 29.980 30.486 -0.506 18438 7804 1 18 . 1 1 21 21 GLU H H 21 8.674 8.674 7.475 1.199 18438 7805 1 18 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.574 -0.569 18438 7806 1 18 . 1 1 22 22 ARG C C 22 177.150 177.150 177.775 -0.625 18438 7807 1 18 . 1 1 22 22 ARG CA C 22 59.467 59.467 57.170 2.297 18438 7808 1 18 . 1 1 22 22 ARG CB C 22 29.953 29.953 31.051 -1.098 18438 7809 1 18 . 1 1 23 23 ASN N N 23 114.707 114.707 117.406 -2.699 18438 7810 1 18 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.758 0.240 18438 7811 1 18 . 1 1 23 23 ASN C C 23 174.888 174.888 175.795 -0.907 18438 7812 1 18 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.324 -1.424 18438 7813 1 18 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.274 -1.770 18438 7814 1 18 . 1 1 23 23 ASN H H 23 8.662 8.662 8.238 0.424 18438 7815 1 18 . 1 1 24 24 GLY N N 24 104.147 104.147 108.304 -4.157 18438 7816 1 18 . 1 1 24 24 GLY C C 24 172.075 172.075 173.075 -1.000 18438 7817 1 18 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.762 -0.062 18438 7818 1 18 . 1 1 24 24 GLY H H 24 7.130 7.130 8.214 -1.084 18438 7819 1 18 . 1 1 25 25 SER N N 25 113.134 113.134 117.711 -4.577 18438 7820 1 18 . 1 1 25 25 SER HA H 25 5.329 5.329 4.757 0.572 18438 7821 1 18 . 1 1 25 25 SER C C 25 173.716 173.716 175.238 -1.522 18438 7822 1 18 . 1 1 25 25 SER CA C 25 57.259 57.259 56.367 0.892 18438 7823 1 18 . 1 1 25 25 SER CB C 25 66.600 66.600 64.846 1.754 18438 7824 1 18 . 1 1 25 25 SER H H 25 8.661 8.661 8.410 0.251 18438 7825 1 18 . 1 1 26 26 SER N N 26 121.159 121.159 121.960 -0.801 18438 7826 1 18 . 1 1 26 26 SER HA H 26 4.962 4.962 4.219 0.743 18438 7827 1 18 . 1 1 26 26 SER C C 26 174.732 174.732 175.803 -1.071 18438 7828 1 18 . 1 1 26 26 SER CA C 26 56.600 56.600 58.981 -2.381 18438 7829 1 18 . 1 1 26 26 SER CB C 26 65.369 65.369 63.800 1.569 18438 7830 1 18 . 1 1 26 26 SER H H 26 8.841 8.841 8.998 -0.157 18438 7831 1 18 . 1 1 27 27 LEU N N 27 121.372 121.372 127.689 -6.317 18438 7832 1 18 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.320 -0.215 18438 7833 1 18 . 1 1 27 27 LEU C C 27 177.935 177.935 177.757 0.178 18438 7834 1 18 . 1 1 27 27 LEU CA C 27 58.827 58.827 57.875 0.952 18438 7835 1 18 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.965 -1.024 18438 7836 1 18 . 1 1 27 27 LEU H H 27 9.303 9.303 8.456 0.847 18438 7837 1 18 . 1 1 28 28 ALA N N 28 119.606 119.606 120.862 -1.256 18438 7838 1 18 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.045 0.117 18438 7839 1 18 . 1 1 28 28 ALA C C 28 180.279 180.279 179.315 0.964 18438 7840 1 18 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.579 0.146 18438 7841 1 18 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.029 0.218 18438 7842 1 18 . 1 1 28 28 ALA H H 28 8.509 8.509 7.704 0.805 18438 7843 1 18 . 1 1 29 29 LYS N N 29 120.138 120.138 118.746 1.392 18438 7844 1 18 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.157 -0.028 18438 7845 1 18 . 1 1 29 29 LYS C C 29 178.950 178.950 178.595 0.355 18438 7846 1 18 . 1 1 29 29 LYS CA C 29 58.585 58.585 57.994 0.591 18438 7847 1 18 . 1 1 29 29 LYS CB C 29 32.483 32.483 31.979 0.505 18438 7848 1 18 . 1 1 29 29 LYS H H 29 7.873 7.873 7.854 0.019 18438 7849 1 18 . 1 1 30 30 ILE N N 30 119.535 119.535 120.242 -0.707 18438 7850 1 18 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.676 -0.171 18438 7851 1 18 . 1 1 30 30 ILE C C 30 177.466 177.466 177.455 0.011 18438 7852 1 18 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.566 -0.205 18438 7853 1 18 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.199 0.423 18438 7854 1 18 . 1 1 30 30 ILE H H 30 8.505 8.505 8.429 0.076 18438 7855 1 18 . 1 1 31 31 TYR N N 31 119.439 119.439 120.813 -1.374 18438 7856 1 18 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.006 -0.038 18438 7857 1 18 . 1 1 31 31 TYR C C 31 175.513 175.513 177.477 -1.964 18438 7858 1 18 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.131 -1.231 18438 7859 1 18 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.389 -0.450 18438 7860 1 18 . 1 1 31 31 TYR H H 31 9.231 9.231 8.218 1.013 18438 7861 1 18 . 1 1 32 32 THR N N 32 113.378 113.378 114.167 -0.789 18438 7862 1 18 . 1 1 32 32 THR HA H 32 3.314 3.314 3.911 -0.597 18438 7863 1 18 . 1 1 32 32 THR C C 32 175.435 175.435 175.672 -0.237 18438 7864 1 18 . 1 1 32 32 THR CA C 32 66.900 66.900 66.466 0.435 18438 7865 1 18 . 1 1 32 32 THR CB C 32 68.631 68.631 68.663 -0.032 18438 7866 1 18 . 1 1 32 32 THR H H 32 7.936 7.936 7.911 0.025 18438 7867 1 18 . 1 1 33 33 GLU N N 33 117.565 117.565 118.256 -0.691 18438 7868 1 18 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.225 -0.175 18438 7869 1 18 . 1 1 33 33 GLU C C 33 178.716 178.716 178.349 0.367 18438 7870 1 18 . 1 1 33 33 GLU CA C 33 57.200 57.200 58.211 -1.011 18438 7871 1 18 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.535 0.428 18438 7872 1 18 . 1 1 33 33 GLU H H 33 7.359 7.359 7.529 -0.170 18438 7873 1 18 . 1 1 34 34 ALA N N 34 124.323 124.323 121.934 2.389 18438 7874 1 18 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.799 -0.170 18438 7875 1 18 . 1 1 34 34 ALA C C 34 177.232 177.232 178.250 -1.018 18438 7876 1 18 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.056 0.598 18438 7877 1 18 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.256 0.035 18438 7878 1 18 . 1 1 34 34 ALA H H 34 8.940 8.940 7.674 1.266 18438 7879 1 18 . 1 1 35 35 LYS N N 35 110.920 110.920 114.449 -3.529 18438 7880 1 18 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.783 -1.004 18438 7881 1 18 . 1 1 35 35 LYS C C 35 176.060 176.060 177.357 -1.297 18438 7882 1 18 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.702 -0.998 18438 7883 1 18 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.810 -1.012 18438 7884 1 18 . 1 1 35 35 LYS H H 35 7.277 7.277 7.498 -0.221 18438 7885 1 18 . 1 1 36 36 LYS N N 36 116.850 116.850 118.484 -1.634 18438 7886 1 18 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.301 -0.381 18438 7887 1 18 . 1 1 36 36 LYS C C 36 177.544 177.544 176.017 1.527 18438 7888 1 18 . 1 1 36 36 LYS CA C 36 56.783 56.783 55.986 0.797 18438 7889 1 18 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.517 0.527 18438 7890 1 18 . 1 1 36 36 LYS H H 36 6.808 6.808 7.247 -0.439 18438 7891 1 18 . 1 1 37 37 VAL N N 37 120.331 120.331 120.879 -0.548 18438 7892 1 18 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.207 -0.063 18438 7893 1 18 . 1 1 37 37 VAL C C 37 177.134 177.134 175.553 1.581 18438 7894 1 18 . 1 1 37 37 VAL CA C 37 60.228 60.228 59.032 1.196 18438 7895 1 18 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.044 0.017 18438 7896 1 18 . 1 1 37 37 VAL H H 37 7.413 7.413 7.231 0.182 18438 7897 1 18 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.351 -0.045 18438 7898 1 18 . 1 1 38 38 PRO C C 38 176.763 176.763 176.511 0.252 18438 7899 1 18 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.661 0.759 18438 7900 1 18 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.050 -0.089 18438 7901 1 18 . 1 1 39 39 TRP N N 39 110.211 110.211 116.535 -6.324 18438 7902 1 18 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.735 -0.011 18438 7903 1 18 . 1 1 39 39 TRP C C 39 176.216 176.216 175.608 0.608 18438 7904 1 18 . 1 1 39 39 TRP CA C 39 53.500 53.500 54.776 -1.276 18438 7905 1 18 . 1 1 39 39 TRP CB C 39 28.927 28.927 29.008 -0.081 18438 7906 1 18 . 1 1 39 39 TRP H H 39 6.356 6.356 7.334 -0.978 18438 7907 1 18 . 1 1 40 40 PHE N N 40 124.624 124.624 123.191 1.433 18438 7908 1 18 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.167 -0.471 18438 7909 1 18 . 1 1 40 40 PHE C C 40 174.966 174.966 174.807 0.159 18438 7910 1 18 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.336 1.872 18438 7911 1 18 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.482 0.296 18438 7912 1 18 . 1 1 40 40 PHE H H 40 7.282 7.282 7.002 0.280 18438 7913 1 18 . 1 1 41 41 ASP N N 41 127.204 127.204 126.825 0.379 18438 7914 1 18 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.695 -0.053 18438 7915 1 18 . 1 1 41 41 ASP C C 41 175.904 175.904 176.622 -0.718 18438 7916 1 18 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.166 0.163 18438 7917 1 18 . 1 1 41 41 ASP CB C 41 41.280 41.280 43.108 -1.828 18438 7918 1 18 . 1 1 41 41 ASP H H 41 7.038 7.038 8.169 -1.131 18438 7919 1 18 . 1 1 42 42 GLN N N 42 125.531 125.531 123.149 2.382 18438 7920 1 18 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.416 -0.239 18438 7921 1 18 . 1 1 42 42 GLN C C 42 178.169 178.169 177.144 1.025 18438 7922 1 18 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.266 0.693 18438 7923 1 18 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.895 -1.373 18438 7924 1 18 . 1 1 42 42 GLN H H 42 9.072 9.072 8.801 0.271 18438 7925 1 18 . 1 1 43 43 GLN N N 43 118.221 118.221 119.298 -1.077 18438 7926 1 18 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.291 0.036 18438 7927 1 18 . 1 1 43 43 GLN C C 43 177.154 177.154 177.748 -0.594 18438 7928 1 18 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.581 0.560 18438 7929 1 18 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.237 0.017 18438 7930 1 18 . 1 1 43 43 GLN H H 43 8.356 8.356 7.790 0.566 18438 7931 1 18 . 1 1 44 44 ASN N N 44 115.402 115.402 116.985 -1.583 18438 7932 1 18 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.426 0.305 18438 7933 1 18 . 1 1 44 44 ASN C C 44 175.200 175.200 176.799 -1.599 18438 7934 1 18 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.319 -1.719 18438 7935 1 18 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.533 2.526 18438 7936 1 18 . 1 1 44 44 ASN H H 44 8.163 8.163 8.294 -0.131 18438 7937 1 18 . 1 1 45 45 GLY N N 45 109.680 109.680 108.800 0.880 18438 7938 1 18 . 1 1 45 45 GLY C C 45 175.200 175.200 175.868 -0.668 18438 7939 1 18 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.352 1.848 18438 7940 1 18 . 1 1 45 45 GLY H H 45 8.094 8.094 8.079 0.015 18438 7941 1 18 . 1 1 46 46 ARG N N 46 121.367 121.367 120.572 0.795 18438 7942 1 18 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.492 -0.603 18438 7943 1 18 . 1 1 46 46 ARG C C 46 178.091 178.091 178.026 0.065 18438 7944 1 18 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.602 1.268 18438 7945 1 18 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.695 -0.412 18438 7946 1 18 . 1 1 46 46 ARG H H 46 8.893 8.893 8.032 0.861 18438 7947 1 18 . 1 1 47 47 THR N N 47 116.630 116.630 116.423 0.207 18438 7948 1 18 . 1 1 47 47 THR HA H 47 3.668 3.668 4.178 -0.510 18438 7949 1 18 . 1 1 47 47 THR C C 47 176.060 176.060 177.109 -1.049 18438 7950 1 18 . 1 1 47 47 THR CA C 47 66.345 66.345 66.892 -0.547 18438 7951 1 18 . 1 1 47 47 THR CB C 47 67.794 67.794 68.290 -0.496 18438 7952 1 18 . 1 1 47 47 THR H H 47 7.397 7.397 7.635 -0.238 18438 7953 1 18 . 1 1 48 48 TYR N N 48 120.826 120.826 120.891 -0.065 18438 7954 1 18 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.266 0.147 18438 7955 1 18 . 1 1 48 48 TYR C C 48 180.279 180.279 178.316 1.963 18438 7956 1 18 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.457 -1.537 18438 7957 1 18 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.991 -1.891 18438 7958 1 18 . 1 1 48 48 TYR H H 48 7.529 7.529 7.692 -0.163 18438 7959 1 18 . 1 1 49 49 LEU N N 49 120.670 120.670 120.990 -0.320 18438 7960 1 18 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.199 -0.136 18438 7961 1 18 . 1 1 49 49 LEU C C 49 178.091 178.091 179.253 -1.162 18438 7962 1 18 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.672 0.587 18438 7963 1 18 . 1 1 49 49 LEU CB C 49 42.259 42.259 42.064 0.195 18438 7964 1 18 . 1 1 49 49 LEU H H 49 8.847 8.847 8.552 0.295 18438 7965 1 18 . 1 1 50 50 LYS N N 50 119.596 119.596 119.684 -0.088 18438 7966 1 18 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.878 -0.108 18438 7967 1 18 . 1 1 50 50 LYS C C 50 179.263 179.263 179.291 -0.028 18438 7968 1 18 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.470 1.167 18438 7969 1 18 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.164 -0.166 18438 7970 1 18 . 1 1 50 50 LYS H H 50 8.001 8.001 7.921 0.080 18438 7971 1 18 . 1 1 51 51 TYR N N 51 118.606 118.606 118.772 -0.166 18438 7972 1 18 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.344 -0.045 18438 7973 1 18 . 1 1 51 51 TYR C C 51 179.107 179.107 178.181 0.926 18438 7974 1 18 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.465 -1.227 18438 7975 1 18 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.832 -1.495 18438 7976 1 18 . 1 1 51 51 TYR H H 51 8.274 8.274 8.408 -0.134 18438 7977 1 18 . 1 1 52 52 SER N N 52 117.699 117.699 116.812 0.887 18438 7978 1 18 . 1 1 52 52 SER HA H 52 4.227 4.227 4.174 0.053 18438 7979 1 18 . 1 1 52 52 SER C C 52 175.669 175.669 176.951 -1.282 18438 7980 1 18 . 1 1 52 52 SER CA C 52 63.312 63.312 62.274 1.038 18438 7981 1 18 . 1 1 52 52 SER CB C 52 63.520 63.520 63.075 0.445 18438 7982 1 18 . 1 1 52 52 SER H H 52 8.303 8.303 8.128 0.175 18438 7983 1 18 . 1 1 53 53 ILE N N 53 121.571 121.571 123.862 -2.291 18438 7984 1 18 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.528 -0.247 18438 7985 1 18 . 1 1 53 53 ILE C C 53 176.685 176.685 177.436 -0.751 18438 7986 1 18 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.423 0.616 18438 7987 1 18 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.351 0.171 18438 7988 1 18 . 1 1 53 53 ILE H H 53 8.543 8.543 8.427 0.116 18438 7989 1 18 . 1 1 54 54 LYS N N 54 117.799 117.799 119.808 -2.009 18438 7990 1 18 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.858 0.019 18438 7991 1 18 . 1 1 54 54 LYS C C 54 179.107 179.107 178.843 0.264 18438 7992 1 18 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.655 0.197 18438 7993 1 18 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.276 -0.262 18438 7994 1 18 . 1 1 54 54 LYS H H 54 7.572 7.572 7.715 -0.143 18438 7995 1 18 . 1 1 55 55 ALA N N 55 121.284 121.284 121.895 -0.611 18438 7996 1 18 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.163 -0.048 18438 7997 1 18 . 1 1 55 55 ALA C C 55 180.201 180.201 179.968 0.233 18438 7998 1 18 . 1 1 55 55 ALA CA C 55 54.997 54.997 55.001 -0.004 18438 7999 1 18 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.289 -0.369 18438 8000 1 18 . 1 1 55 55 ALA H H 55 7.669 7.669 8.041 -0.372 18438 8001 1 18 . 1 1 56 56 LEU N N 56 119.236 119.236 118.429 0.807 18438 8002 1 18 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.064 0.356 18438 8003 1 18 . 1 1 56 56 LEU C C 56 179.966 179.966 178.736 1.230 18438 8004 1 18 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.259 -1.165 18438 8005 1 18 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.751 0.610 18438 8006 1 18 . 1 1 56 56 LEU H H 56 8.302 8.302 7.912 0.390 18438 8007 1 18 . 1 1 57 57 VAL N N 57 122.357 122.357 119.491 2.866 18438 8008 1 18 . 1 1 57 57 VAL HA H 57 4.367 4.367 4.005 0.362 18438 8009 1 18 . 1 1 57 57 VAL C C 57 180.669 180.669 178.779 1.890 18438 8010 1 18 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.107 -1.001 18438 8011 1 18 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.561 0.445 18438 8012 1 18 . 1 1 57 57 VAL H H 57 8.555 8.555 8.097 0.458 18438 8013 1 18 . 1 1 58 58 GLN N N 58 120.472 120.472 119.464 1.008 18438 8014 1 18 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.098 0.027 18438 8015 1 18 . 1 1 58 58 GLN C C 58 177.154 177.154 177.325 -0.171 18438 8016 1 18 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.409 0.411 18438 8017 1 18 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.741 -0.541 18438 8018 1 18 . 1 1 58 58 GLN H H 58 8.078 8.078 7.845 0.233 18438 8019 1 18 . 1 1 59 59 ASN N N 59 114.176 114.176 116.339 -2.163 18438 8020 1 18 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.796 0.083 18438 8021 1 18 . 1 1 59 59 ASN C C 59 175.122 175.122 174.168 0.954 18438 8022 1 18 . 1 1 59 59 ASN CA C 59 51.580 51.580 54.168 -2.588 18438 8023 1 18 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.915 -1.219 18438 8024 1 18 . 1 1 59 59 ASN H H 59 7.704 7.704 7.911 -0.207 18438 8025 1 18 . 1 1 60 60 ASP N N 60 113.376 113.376 113.513 -0.137 18438 8026 1 18 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.443 0.020 18438 8027 1 18 . 1 1 60 60 ASP C C 60 175.279 175.279 176.256 -0.977 18438 8028 1 18 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.741 0.331 18438 8029 1 18 . 1 1 60 60 ASP CB C 60 39.909 39.909 39.289 0.619 18438 8030 1 18 . 1 1 60 60 ASP H H 60 7.900 7.900 7.394 0.506 18438 8031 1 18 . 1 1 61 61 THR N N 61 117.382 117.382 111.502 5.880 18438 8032 1 18 . 1 1 61 61 THR HA H 61 4.097 4.097 4.274 -0.177 18438 8033 1 18 . 1 1 61 61 THR C C 61 174.966 174.966 174.171 0.795 18438 8034 1 18 . 1 1 61 61 THR CA C 61 67.141 67.141 65.778 1.363 18438 8035 1 18 . 1 1 61 61 THR CB C 61 68.143 68.143 69.793 -1.650 18438 8036 1 18 . 1 1 61 61 THR H H 61 8.776 8.776 8.186 0.590 18438 8037 1 18 . 1 1 62 62 LEU N N 62 118.406 118.406 119.688 -1.282 18438 8038 1 18 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.241 -0.078 18438 8039 1 18 . 1 1 62 62 LEU C C 62 175.122 175.122 175.626 -0.504 18438 8040 1 18 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.275 -1.434 18438 8041 1 18 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.357 0.108 18438 8042 1 18 . 1 1 62 62 LEU H H 62 7.653 7.653 7.520 0.133 18438 8043 1 18 . 1 1 63 63 LEU N N 63 119.075 119.075 122.140 -3.065 18438 8044 1 18 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.708 -0.058 18438 8045 1 18 . 1 1 63 63 LEU C C 63 175.904 175.904 175.810 0.094 18438 8046 1 18 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.762 -0.738 18438 8047 1 18 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.431 0.610 18438 8048 1 18 . 1 1 63 63 LEU H H 63 9.145 9.145 8.726 0.419 18438 8049 1 18 . 1 1 64 64 GLN N N 64 123.978 123.978 125.421 -1.443 18438 8050 1 18 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.500 0.076 18438 8051 1 18 . 1 1 64 64 GLN C C 64 175.435 175.435 175.178 0.257 18438 8052 1 18 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.852 -0.826 18438 8053 1 18 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.717 0.539 18438 8054 1 18 . 1 1 64 64 GLN H H 64 8.995 8.995 8.855 0.140 18438 8055 1 18 . 1 1 65 65 VAL N N 65 126.750 126.750 130.157 -3.407 18438 8056 1 18 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.121 -0.096 18438 8057 1 18 . 1 1 65 65 VAL C C 65 175.747 175.747 173.887 1.860 18438 8058 1 18 . 1 1 65 65 VAL CA C 65 61.920 61.920 62.088 -0.168 18438 8059 1 18 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.347 1.155 18438 8060 1 18 . 1 1 65 65 VAL H H 65 8.520 8.520 8.666 -0.146 18438 8061 1 18 . 1 1 66 66 LYS N N 66 124.150 124.150 124.970 -0.820 18438 8062 1 18 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.640 -0.428 18438 8063 1 18 . 1 1 66 66 LYS C C 66 176.607 176.607 176.653 -0.046 18438 8064 1 18 . 1 1 66 66 LYS CA C 66 56.776 56.776 54.643 2.133 18438 8065 1 18 . 1 1 66 66 LYS CB C 66 33.019 33.019 34.256 -1.237 18438 8066 1 18 . 1 1 66 66 LYS H H 66 8.311 8.311 8.053 0.258 18438 8067 1 18 . 1 1 67 67 GLY N N 67 109.952 109.952 110.203 -0.251 18438 8068 1 18 . 1 1 67 67 GLY C C 67 173.716 173.716 175.055 -1.339 18438 8069 1 18 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.743 -0.841 18438 8070 1 18 . 1 1 67 67 GLY H H 67 8.401 8.401 8.787 -0.386 18438 8071 1 18 . 1 1 68 68 THR N N 68 111.619 111.619 116.379 -4.760 18438 8072 1 18 . 1 1 68 68 THR HA H 68 4.399 4.399 4.540 -0.141 18438 8073 1 18 . 1 1 68 68 THR C C 68 175.279 175.279 174.789 0.490 18438 8074 1 18 . 1 1 68 68 THR CA C 68 61.243 61.243 63.148 -1.905 18438 8075 1 18 . 1 1 68 68 THR CB C 68 69.860 69.860 68.715 1.145 18438 8076 1 18 . 1 1 68 68 THR H H 68 8.032 8.032 8.180 -0.148 18438 8077 1 18 . 1 1 69 69 GLY N N 69 111.951 111.951 108.513 3.438 18438 8078 1 18 . 1 1 69 69 GLY C C 69 174.572 174.572 172.964 1.608 18438 8079 1 18 . 1 1 69 69 GLY CA C 69 45.580 45.580 44.495 1.085 18438 8080 1 18 . 1 1 69 69 GLY H H 69 8.581 8.581 7.681 0.900 18438 8081 1 18 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.531 -0.229 18438 8082 1 18 . 1 1 70 70 ALA C C 70 177.774 177.774 176.418 1.356 18438 8083 1 18 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.097 0.964 18438 8084 1 18 . 1 1 70 70 ALA CB C 70 18.921 18.921 17.363 1.558 18438 8085 1 18 . 1 1 71 71 ASN N N 71 115.782 115.782 119.884 -4.102 18438 8086 1 18 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.761 0.119 18438 8087 1 18 . 1 1 71 71 ASN C C 71 174.966 174.966 173.902 1.064 18438 8088 1 18 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.373 -0.629 18438 8089 1 18 . 1 1 71 71 ASN CB C 71 39.217 39.217 41.664 -2.447 18438 8090 1 18 . 1 1 71 71 ASN H H 71 8.151 8.151 7.831 0.320 18438 8091 1 18 . 1 1 72 72 GLY N N 72 107.783 107.783 111.527 -3.744 18438 8092 1 18 . 1 1 72 72 GLY C C 72 172.700 172.700 173.565 -0.865 18438 8093 1 18 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.403 0.499 18438 8094 1 18 . 1 1 72 72 GLY H H 72 8.051 8.051 8.556 -0.505 18438 8095 1 18 . 1 1 73 73 SER N N 73 114.063 114.063 121.248 -7.185 18438 8096 1 18 . 1 1 73 73 SER HA H 73 4.484 4.484 4.660 -0.176 18438 8097 1 18 . 1 1 73 73 SER C C 73 172.480 172.480 172.864 -0.384 18438 8098 1 18 . 1 1 73 73 SER CA C 73 56.717 56.717 57.456 -0.739 18438 8099 1 18 . 1 1 73 73 SER CB C 73 65.043 65.043 64.940 0.103 18438 8100 1 18 . 1 1 73 73 SER H H 73 7.761 7.761 8.072 -0.311 18438 8101 1 18 . 1 1 74 74 PHE N N 74 119.449 119.449 118.865 0.584 18438 8102 1 18 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.643 -0.161 18438 8103 1 18 . 1 1 74 74 PHE C C 74 174.185 174.185 174.935 -0.750 18438 8104 1 18 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.852 0.609 18438 8105 1 18 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.883 -0.872 18438 8106 1 18 . 1 1 74 74 PHE H H 74 8.489 8.489 8.764 -0.275 18438 8107 1 18 . 1 1 75 75 LYS N N 75 119.294 119.294 119.432 -0.138 18438 8108 1 18 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.885 0.074 18438 8109 1 18 . 1 1 75 75 LYS C C 75 175.669 175.669 174.502 1.167 18438 8110 1 18 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.355 -0.951 18438 8111 1 18 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.291 0.948 18438 8112 1 18 . 1 1 75 75 LYS H H 75 8.894 8.894 8.494 0.400 18438 8113 1 18 . 1 1 76 76 LEU N N 76 121.201 121.201 120.085 1.116 18438 8114 1 18 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.464 -0.092 18438 8115 1 18 . 1 1 76 76 LEU C C 76 177.075 177.075 177.307 -0.232 18438 8116 1 18 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.857 0.921 18438 8117 1 18 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.769 -1.128 18438 8118 1 18 . 1 1 76 76 LEU H H 76 9.023 9.023 8.684 0.339 18438 8119 1 18 . 1 1 77 77 ASN N N 77 120.222 120.222 118.974 1.248 18438 8120 1 18 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.795 -0.122 18438 8121 1 18 . 1 1 77 77 ASN C C 77 175.669 175.669 175.711 -0.042 18438 8122 1 18 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.516 -1.714 18438 8123 1 18 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.898 -1.035 18438 8124 1 18 . 1 1 77 77 ASN H H 77 8.333 8.333 8.543 -0.210 18438 8125 1 18 . 1 1 78 78 ARG N N 78 125.225 125.225 118.048 7.177 18438 8126 1 18 . 1 1 78 78 ARG HA H 78 4.213 4.213 3.843 0.370 18438 8127 1 18 . 1 1 78 78 ARG C C 78 176.607 176.607 177.338 -0.731 18438 8128 1 18 . 1 1 78 78 ARG CA C 78 57.376 57.376 58.852 -1.476 18438 8129 1 18 . 1 1 78 78 ARG CB C 78 30.041 30.041 28.139 1.902 18438 8130 1 18 . 1 1 78 78 ARG H H 78 8.373 8.373 8.441 -0.068 18438 8131 1 18 . 1 1 79 79 LYS N N 79 119.831 119.831 120.882 -1.051 18438 8132 1 18 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.261 -0.056 18438 8133 1 18 . 1 1 79 79 LYS C C 79 177.075 177.075 176.802 0.273 18438 8134 1 18 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.843 0.300 18438 8135 1 18 . 1 1 79 79 LYS CB C 79 32.341 32.341 32.612 -0.271 18438 8136 1 18 . 1 1 79 79 LYS H H 79 8.095 8.095 8.057 0.038 18438 8137 1 18 . 1 1 80 80 LYS N N 80 119.767 119.767 119.814 -0.047 18438 8138 1 18 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.370 -0.066 18438 8139 1 18 . 1 1 80 80 LYS C C 80 176.607 176.607 176.884 -0.277 18438 8140 1 18 . 1 1 80 80 LYS CA C 80 56.085 56.085 55.199 0.886 18438 8141 1 18 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.373 1.644 18438 8142 1 18 . 1 1 80 80 LYS H H 80 7.671 7.671 8.026 -0.355 18438 8143 1 18 . 1 1 81 81 LEU N N 81 121.868 121.868 120.796 1.072 18438 8144 1 18 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.042 0.315 18438 8145 1 18 . 1 1 81 81 LEU C C 81 177.214 177.214 177.971 -0.757 18438 8146 1 18 . 1 1 81 81 LEU CA C 81 55.371 55.371 58.371 -3.000 18438 8147 1 18 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.067 0.420 18438 8148 1 18 . 1 1 81 81 LEU H H 81 7.996 7.996 7.713 0.283 18438 8149 1 18 . 1 1 82 82 GLU N N 82 120.499 120.499 116.962 3.537 18438 8150 1 18 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.275 0.067 18438 8151 1 18 . 1 1 82 82 GLU C C 82 175.875 175.875 176.983 -1.108 18438 8152 1 18 . 1 1 82 82 GLU CA C 82 56.331 56.331 55.996 0.335 18438 8153 1 18 . 1 1 82 82 GLU CB C 82 30.322 30.322 30.058 0.264 18438 8154 1 18 . 1 1 82 82 GLU H H 82 8.262 8.262 8.516 -0.254 18438 8155 1 19 . 1 1 3 3 MET HA H 3 4.270 4.270 4.285 -0.015 18438 8156 1 19 . 1 1 3 3 MET C C 3 175.362 175.362 175.211 0.151 18438 8157 1 19 . 1 1 3 3 MET CA C 3 55.318 55.318 56.469 -1.151 18438 8158 1 19 . 1 1 3 3 MET CB C 3 32.724 32.724 31.706 1.018 18438 8159 1 19 . 1 1 4 4 GLN N N 4 122.983 122.983 119.410 3.573 18438 8160 1 19 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.442 0.121 18438 8161 1 19 . 1 1 4 4 GLN C C 4 173.835 173.835 175.117 -1.282 18438 8162 1 19 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.923 -1.402 18438 8163 1 19 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.071 -0.306 18438 8164 1 19 . 1 1 4 4 GLN H H 4 8.267 8.267 7.842 0.425 18438 8165 1 19 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.421 -0.453 18438 8166 1 19 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.994 0.998 18438 8167 1 19 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.250 -0.554 18438 8168 1 19 . 1 1 6 6 GLY C C 6 175.512 175.512 174.754 0.758 18438 8169 1 19 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.447 1.589 18438 8170 1 19 . 1 1 7 7 LYS N N 7 121.187 121.187 124.356 -3.169 18438 8171 1 19 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.240 -0.088 18438 8172 1 19 . 1 1 7 7 LYS C C 7 179.107 179.107 177.524 1.583 18438 8173 1 19 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.522 0.433 18438 8174 1 19 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.340 -0.699 18438 8175 1 19 . 1 1 7 7 LYS H H 7 7.788 7.788 8.489 -0.701 18438 8176 1 19 . 1 1 8 8 TYR N N 8 119.428 119.428 119.486 -0.058 18438 8177 1 19 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.661 -0.359 18438 8178 1 19 . 1 1 8 8 TYR C C 8 177.544 177.544 177.991 -0.447 18438 8179 1 19 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.317 2.283 18438 8180 1 19 . 1 1 8 8 TYR CB C 8 38.170 38.170 37.733 0.437 18438 8181 1 19 . 1 1 8 8 TYR H H 8 8.197 8.197 8.577 -0.380 18438 8182 1 19 . 1 1 9 9 SER N N 9 116.845 116.845 116.133 0.712 18438 8183 1 19 . 1 1 9 9 SER HA H 9 4.241 4.241 4.136 0.105 18438 8184 1 19 . 1 1 9 9 SER C C 9 175.982 175.982 176.454 -0.472 18438 8185 1 19 . 1 1 9 9 SER CA C 9 62.258 62.258 61.991 0.267 18438 8186 1 19 . 1 1 9 9 SER CB C 9 62.254 62.254 62.569 -0.315 18438 8187 1 19 . 1 1 9 9 SER H H 9 8.279 8.279 8.531 -0.252 18438 8188 1 19 . 1 1 10 10 GLN N N 10 120.862 120.862 120.556 0.306 18438 8189 1 19 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.079 0.007 18438 8190 1 19 . 1 1 10 10 GLN C C 10 177.779 177.779 178.430 -0.651 18438 8191 1 19 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.554 0.188 18438 8192 1 19 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.786 -0.886 18438 8193 1 19 . 1 1 10 10 GLN H H 10 7.765 7.765 7.715 0.050 18438 8194 1 19 . 1 1 11 11 LEU N N 11 119.752 119.752 121.526 -1.774 18438 8195 1 19 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.394 0.000 18438 8196 1 19 . 1 1 11 11 LEU C C 11 180.357 180.357 178.778 1.579 18438 8197 1 19 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.484 0.231 18438 8198 1 19 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.952 -0.014 18438 8199 1 19 . 1 1 11 11 LEU H H 11 7.805 7.805 7.699 0.106 18438 8200 1 19 . 1 1 12 12 VAL N N 12 122.619 122.619 118.973 3.646 18438 8201 1 19 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.582 -0.251 18438 8202 1 19 . 1 1 12 12 VAL C C 12 176.841 176.841 177.877 -1.036 18438 8203 1 19 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.153 1.264 18438 8204 1 19 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.603 -0.284 18438 8205 1 19 . 1 1 12 12 VAL H H 12 8.355 8.355 7.834 0.521 18438 8206 1 19 . 1 1 13 13 VAL N N 13 118.472 118.472 119.557 -1.085 18438 8207 1 19 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.540 -0.146 18438 8208 1 19 . 1 1 13 13 VAL C C 13 177.622 177.622 178.167 -0.545 18438 8209 1 19 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.868 0.899 18438 8210 1 19 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.388 0.516 18438 8211 1 19 . 1 1 13 13 VAL H H 13 7.636 7.636 7.447 0.189 18438 8212 1 19 . 1 1 14 14 GLU N N 14 117.137 117.137 119.461 -2.324 18438 8213 1 19 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.018 0.056 18438 8214 1 19 . 1 1 14 14 GLU C C 14 179.576 179.576 179.142 0.434 18438 8215 1 19 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.725 -0.896 18438 8216 1 19 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.504 -0.104 18438 8217 1 19 . 1 1 14 14 GLU H H 14 8.642 8.642 8.132 0.510 18438 8218 1 19 . 1 1 15 15 THR N N 15 116.678 116.678 116.759 -0.081 18438 8219 1 19 . 1 1 15 15 THR HA H 15 3.859 3.859 4.046 -0.187 18438 8220 1 19 . 1 1 15 15 THR C C 15 175.669 175.669 176.568 -0.899 18438 8221 1 19 . 1 1 15 15 THR CA C 15 67.743 67.743 67.488 0.255 18438 8222 1 19 . 1 1 15 15 THR CB C 15 67.761 67.761 68.556 -0.795 18438 8223 1 19 . 1 1 15 15 THR H H 15 8.354 8.354 8.049 0.305 18438 8224 1 19 . 1 1 16 16 ILE N N 16 121.241 121.241 120.854 0.387 18438 8225 1 19 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.743 -0.239 18438 8226 1 19 . 1 1 16 16 ILE C C 16 179.576 179.576 177.849 1.727 18438 8227 1 19 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.069 1.786 18438 8228 1 19 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.511 0.697 18438 8229 1 19 . 1 1 16 16 ILE H H 16 8.342 8.342 7.914 0.428 18438 8230 1 19 . 1 1 17 17 ARG N N 17 120.540 120.540 120.756 -0.216 18438 8231 1 19 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.035 -0.053 18438 8232 1 19 . 1 1 17 17 ARG C C 17 178.482 178.482 178.423 0.059 18438 8233 1 19 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.455 0.072 18438 8234 1 19 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.085 0.217 18438 8235 1 19 . 1 1 17 17 ARG H H 17 8.496 8.496 7.630 0.866 18438 8236 1 19 . 1 1 18 18 ARG N N 18 118.955 118.955 118.169 0.786 18438 8237 1 19 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.106 -0.116 18438 8238 1 19 . 1 1 18 18 ARG C C 18 178.794 178.794 178.511 0.283 18438 8239 1 19 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.584 0.431 18438 8240 1 19 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.195 -0.083 18438 8241 1 19 . 1 1 18 18 ARG H H 18 8.257 8.257 8.036 0.221 18438 8242 1 19 . 1 1 19 19 LEU N N 19 118.486 118.486 116.397 2.089 18438 8243 1 19 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.261 -0.208 18438 8244 1 19 . 1 1 19 19 LEU C C 19 179.419 179.419 177.677 1.742 18438 8245 1 19 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.696 1.406 18438 8246 1 19 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.548 -0.252 18438 8247 1 19 . 1 1 19 19 LEU H H 19 8.179 8.179 7.784 0.395 18438 8248 1 19 . 1 1 20 20 GLY N N 20 104.303 104.303 106.501 -2.198 18438 8249 1 19 . 1 1 20 20 GLY C C 20 175.200 175.200 174.882 0.318 18438 8250 1 19 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.357 2.128 18438 8251 1 19 . 1 1 20 20 GLY H H 20 7.520 7.520 7.770 -0.250 18438 8252 1 19 . 1 1 21 21 GLU N N 21 118.725 118.725 120.380 -1.655 18438 8253 1 19 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.378 -0.158 18438 8254 1 19 . 1 1 21 21 GLU C C 21 179.280 179.280 176.527 2.753 18438 8255 1 19 . 1 1 21 21 GLU CA C 21 57.569 57.569 55.689 1.880 18438 8256 1 19 . 1 1 21 21 GLU CB C 21 29.980 29.980 28.403 1.577 18438 8257 1 19 . 1 1 21 21 GLU H H 21 8.674 8.674 7.692 0.982 18438 8258 1 19 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.119 -0.114 18438 8259 1 19 . 1 1 22 22 ARG C C 22 177.150 177.150 176.612 0.538 18438 8260 1 19 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.458 1.009 18438 8261 1 19 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.281 -0.328 18438 8262 1 19 . 1 1 23 23 ASN N N 23 114.707 114.707 117.218 -2.511 18438 8263 1 19 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.643 0.355 18438 8264 1 19 . 1 1 23 23 ASN C C 23 174.888 174.888 174.605 0.283 18438 8265 1 19 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.197 -1.297 18438 8266 1 19 . 1 1 23 23 ASN CB C 23 38.504 38.504 39.385 -0.881 18438 8267 1 19 . 1 1 23 23 ASN H H 23 8.662 8.662 8.380 0.282 18438 8268 1 19 . 1 1 24 24 GLY N N 24 104.147 104.147 105.461 -1.314 18438 8269 1 19 . 1 1 24 24 GLY C C 24 172.075 172.075 172.914 -0.839 18438 8270 1 19 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.450 0.250 18438 8271 1 19 . 1 1 24 24 GLY H H 24 7.130 7.130 7.699 -0.569 18438 8272 1 19 . 1 1 25 25 SER N N 25 113.134 113.134 116.516 -3.382 18438 8273 1 19 . 1 1 25 25 SER HA H 25 5.329 5.329 4.796 0.533 18438 8274 1 19 . 1 1 25 25 SER C C 25 173.716 173.716 174.932 -1.216 18438 8275 1 19 . 1 1 25 25 SER CA C 25 57.259 57.259 56.824 0.435 18438 8276 1 19 . 1 1 25 25 SER CB C 25 66.600 66.600 65.398 1.202 18438 8277 1 19 . 1 1 25 25 SER H H 25 8.661 8.661 8.367 0.294 18438 8278 1 19 . 1 1 26 26 SER N N 26 121.159 121.159 121.475 -0.316 18438 8279 1 19 . 1 1 26 26 SER HA H 26 4.962 4.962 4.506 0.456 18438 8280 1 19 . 1 1 26 26 SER C C 26 174.732 174.732 175.906 -1.174 18438 8281 1 19 . 1 1 26 26 SER CA C 26 56.600 56.600 58.077 -1.477 18438 8282 1 19 . 1 1 26 26 SER CB C 26 65.369 65.369 63.952 1.417 18438 8283 1 19 . 1 1 26 26 SER H H 26 8.841 8.841 8.892 -0.051 18438 8284 1 19 . 1 1 27 27 LEU N N 27 121.372 121.372 125.784 -4.412 18438 8285 1 19 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.282 -0.177 18438 8286 1 19 . 1 1 27 27 LEU C C 27 177.935 177.935 177.758 0.177 18438 8287 1 19 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.126 0.701 18438 8288 1 19 . 1 1 27 27 LEU CB C 27 40.941 40.941 42.000 -1.059 18438 8289 1 19 . 1 1 27 27 LEU H H 27 9.303 9.303 8.709 0.594 18438 8290 1 19 . 1 1 28 28 ALA N N 28 119.606 119.606 120.922 -1.316 18438 8291 1 19 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.015 0.147 18438 8292 1 19 . 1 1 28 28 ALA C C 28 180.279 180.279 179.304 0.975 18438 8293 1 19 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.263 0.462 18438 8294 1 19 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.086 0.161 18438 8295 1 19 . 1 1 28 28 ALA H H 28 8.509 8.509 7.644 0.865 18438 8296 1 19 . 1 1 29 29 LYS N N 29 120.138 120.138 118.623 1.515 18438 8297 1 19 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.092 0.037 18438 8298 1 19 . 1 1 29 29 LYS C C 29 178.950 178.950 178.912 0.038 18438 8299 1 19 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.621 -0.036 18438 8300 1 19 . 1 1 29 29 LYS CB C 29 32.483 32.483 31.835 0.648 18438 8301 1 19 . 1 1 29 29 LYS H H 29 7.873 7.873 7.646 0.227 18438 8302 1 19 . 1 1 30 30 ILE N N 30 119.535 119.535 119.583 -0.048 18438 8303 1 19 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.678 -0.173 18438 8304 1 19 . 1 1 30 30 ILE C C 30 177.466 177.466 177.712 -0.246 18438 8305 1 19 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.591 -0.230 18438 8306 1 19 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.155 0.467 18438 8307 1 19 . 1 1 30 30 ILE H H 30 8.505 8.505 8.325 0.180 18438 8308 1 19 . 1 1 31 31 TYR N N 31 119.439 119.439 120.642 -1.203 18438 8309 1 19 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.062 -0.094 18438 8310 1 19 . 1 1 31 31 TYR C C 31 175.513 175.513 177.590 -2.077 18438 8311 1 19 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.252 -1.352 18438 8312 1 19 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.417 -0.478 18438 8313 1 19 . 1 1 31 31 TYR H H 31 9.231 9.231 8.123 1.108 18438 8314 1 19 . 1 1 32 32 THR N N 32 113.378 113.378 114.335 -0.957 18438 8315 1 19 . 1 1 32 32 THR HA H 32 3.314 3.314 3.832 -0.518 18438 8316 1 19 . 1 1 32 32 THR C C 32 175.435 175.435 176.204 -0.769 18438 8317 1 19 . 1 1 32 32 THR CA C 32 66.900 66.900 66.557 0.343 18438 8318 1 19 . 1 1 32 32 THR CB C 32 68.631 68.631 68.680 -0.049 18438 8319 1 19 . 1 1 32 32 THR H H 32 7.936 7.936 7.852 0.084 18438 8320 1 19 . 1 1 33 33 GLU N N 33 117.565 117.565 118.794 -1.229 18438 8321 1 19 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.242 -0.192 18438 8322 1 19 . 1 1 33 33 GLU C C 33 178.716 178.716 178.221 0.495 18438 8323 1 19 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.527 -0.327 18438 8324 1 19 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.233 0.730 18438 8325 1 19 . 1 1 33 33 GLU H H 33 7.359 7.359 7.517 -0.158 18438 8326 1 19 . 1 1 34 34 ALA N N 34 124.323 124.323 121.815 2.508 18438 8327 1 19 . 1 1 34 34 ALA HA H 34 3.629 3.629 4.093 -0.464 18438 8328 1 19 . 1 1 34 34 ALA C C 34 177.232 177.232 177.655 -0.423 18438 8329 1 19 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.699 0.955 18438 8330 1 19 . 1 1 34 34 ALA CB C 34 18.291 18.291 19.201 -0.909 18438 8331 1 19 . 1 1 34 34 ALA H H 34 8.940 8.940 7.601 1.339 18438 8332 1 19 . 1 1 35 35 LYS N N 35 110.920 110.920 115.307 -4.387 18438 8333 1 19 . 1 1 35 35 LYS HA H 35 2.779 2.779 2.567 0.212 18438 8334 1 19 . 1 1 35 35 LYS C C 35 176.060 176.060 176.819 -0.759 18438 8335 1 19 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.858 -0.154 18438 8336 1 19 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.248 -0.450 18438 8337 1 19 . 1 1 35 35 LYS H H 35 7.277 7.277 7.359 -0.082 18438 8338 1 19 . 1 1 36 36 LYS N N 36 116.850 116.850 117.706 -0.856 18438 8339 1 19 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.101 -0.181 18438 8340 1 19 . 1 1 36 36 LYS C C 36 177.544 177.544 176.747 0.797 18438 8341 1 19 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.558 0.225 18438 8342 1 19 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.608 0.436 18438 8343 1 19 . 1 1 36 36 LYS H H 36 6.808 6.808 7.316 -0.508 18438 8344 1 19 . 1 1 37 37 VAL N N 37 120.331 120.331 119.230 1.101 18438 8345 1 19 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.210 -0.066 18438 8346 1 19 . 1 1 37 37 VAL C C 37 177.134 177.134 176.057 1.077 18438 8347 1 19 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.824 1.405 18438 8348 1 19 . 1 1 37 37 VAL CB C 37 31.061 31.061 30.067 0.994 18438 8349 1 19 . 1 1 37 37 VAL H H 37 7.413 7.413 6.844 0.569 18438 8350 1 19 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.319 -0.013 18438 8351 1 19 . 1 1 38 38 PRO C C 38 176.763 176.763 176.821 -0.058 18438 8352 1 19 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.920 0.500 18438 8353 1 19 . 1 1 38 38 PRO CB C 38 31.961 31.961 31.940 0.021 18438 8354 1 19 . 1 1 39 39 TRP N N 39 110.211 110.211 115.254 -5.043 18438 8355 1 19 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.638 0.086 18438 8356 1 19 . 1 1 39 39 TRP C C 39 176.216 176.216 175.790 0.426 18438 8357 1 19 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.477 -1.977 18438 8358 1 19 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.755 0.172 18438 8359 1 19 . 1 1 39 39 TRP H H 39 6.356 6.356 7.424 -1.068 18438 8360 1 19 . 1 1 40 40 PHE N N 40 124.624 124.624 123.332 1.292 18438 8361 1 19 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.050 -0.354 18438 8362 1 19 . 1 1 40 40 PHE C C 40 174.966 174.966 175.225 -0.259 18438 8363 1 19 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.799 1.409 18438 8364 1 19 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.798 -0.020 18438 8365 1 19 . 1 1 40 40 PHE H H 40 7.282 7.282 6.949 0.333 18438 8366 1 19 . 1 1 41 41 ASP N N 41 127.204 127.204 126.789 0.415 18438 8367 1 19 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.822 -0.180 18438 8368 1 19 . 1 1 41 41 ASP C C 41 175.904 175.904 176.314 -0.410 18438 8369 1 19 . 1 1 41 41 ASP CA C 41 53.329 53.329 52.827 0.502 18438 8370 1 19 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.533 -1.253 18438 8371 1 19 . 1 1 41 41 ASP H H 41 7.038 7.038 7.904 -0.866 18438 8372 1 19 . 1 1 42 42 GLN N N 42 125.531 125.531 124.509 1.022 18438 8373 1 19 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.555 -0.378 18438 8374 1 19 . 1 1 42 42 GLN C C 42 178.169 178.169 176.553 1.616 18438 8375 1 19 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.144 0.815 18438 8376 1 19 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.673 -1.151 18438 8377 1 19 . 1 1 42 42 GLN H H 42 9.072 9.072 8.858 0.214 18438 8378 1 19 . 1 1 43 43 GLN N N 43 118.221 118.221 118.967 -0.746 18438 8379 1 19 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.358 -0.031 18438 8380 1 19 . 1 1 43 43 GLN C C 43 177.154 177.154 177.053 0.101 18438 8381 1 19 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.232 0.909 18438 8382 1 19 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.399 -0.145 18438 8383 1 19 . 1 1 43 43 GLN H H 43 8.356 8.356 7.890 0.466 18438 8384 1 19 . 1 1 44 44 ASN N N 44 115.402 115.402 116.079 -0.677 18438 8385 1 19 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.682 0.049 18438 8386 1 19 . 1 1 44 44 ASN C C 44 175.200 175.200 176.008 -0.808 18438 8387 1 19 . 1 1 44 44 ASN CA C 44 52.600 52.600 53.232 -0.632 18438 8388 1 19 . 1 1 44 44 ASN CB C 44 41.059 41.059 39.930 1.129 18438 8389 1 19 . 1 1 44 44 ASN H H 44 8.163 8.163 8.286 -0.123 18438 8390 1 19 . 1 1 45 45 GLY N N 45 109.680 109.680 109.321 0.359 18438 8391 1 19 . 1 1 45 45 GLY C C 45 175.200 175.200 175.763 -0.563 18438 8392 1 19 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.798 1.402 18438 8393 1 19 . 1 1 45 45 GLY H H 45 8.094 8.094 8.025 0.069 18438 8394 1 19 . 1 1 46 46 ARG N N 46 121.367 121.367 120.365 1.002 18438 8395 1 19 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.334 -0.445 18438 8396 1 19 . 1 1 46 46 ARG C C 46 178.091 178.091 178.141 -0.050 18438 8397 1 19 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.268 1.602 18438 8398 1 19 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.283 0.000 18438 8399 1 19 . 1 1 46 46 ARG H H 46 8.893 8.893 8.571 0.322 18438 8400 1 19 . 1 1 47 47 THR N N 47 116.630 116.630 116.852 -0.222 18438 8401 1 19 . 1 1 47 47 THR HA H 47 3.668 3.668 4.043 -0.375 18438 8402 1 19 . 1 1 47 47 THR C C 47 176.060 176.060 176.969 -0.909 18438 8403 1 19 . 1 1 47 47 THR CA C 47 66.345 66.345 67.156 -0.811 18438 8404 1 19 . 1 1 47 47 THR CB C 47 67.794 67.794 68.184 -0.390 18438 8405 1 19 . 1 1 47 47 THR H H 47 7.397 7.397 7.477 -0.080 18438 8406 1 19 . 1 1 48 48 TYR N N 48 120.826 120.826 120.845 -0.019 18438 8407 1 19 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.193 0.220 18438 8408 1 19 . 1 1 48 48 TYR C C 48 180.279 180.279 178.000 2.279 18438 8409 1 19 . 1 1 48 48 TYR CA C 48 57.920 57.920 60.122 -2.202 18438 8410 1 19 . 1 1 48 48 TYR CB C 48 35.100 35.100 37.046 -1.946 18438 8411 1 19 . 1 1 48 48 TYR H H 48 7.529 7.529 7.654 -0.125 18438 8412 1 19 . 1 1 49 49 LEU N N 49 120.670 120.670 118.861 1.809 18438 8413 1 19 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.097 -0.034 18438 8414 1 19 . 1 1 49 49 LEU C C 49 178.091 178.091 179.013 -0.922 18438 8415 1 19 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.880 0.378 18438 8416 1 19 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.673 0.586 18438 8417 1 19 . 1 1 49 49 LEU H H 49 8.847 8.847 8.470 0.377 18438 8418 1 19 . 1 1 50 50 LYS N N 50 119.596 119.596 120.197 -0.601 18438 8419 1 19 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.926 -0.156 18438 8420 1 19 . 1 1 50 50 LYS C C 50 179.263 179.263 179.211 0.052 18438 8421 1 19 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.261 1.376 18438 8422 1 19 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.028 -0.030 18438 8423 1 19 . 1 1 50 50 LYS H H 50 8.001 8.001 7.894 0.107 18438 8424 1 19 . 1 1 51 51 TYR N N 51 118.606 118.606 119.410 -0.804 18438 8425 1 19 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.299 0.000 18438 8426 1 19 . 1 1 51 51 TYR C C 51 179.107 179.107 178.296 0.811 18438 8427 1 19 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.636 -1.397 18438 8428 1 19 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.452 -1.115 18438 8429 1 19 . 1 1 51 51 TYR H H 51 8.274 8.274 8.343 -0.069 18438 8430 1 19 . 1 1 52 52 SER N N 52 117.699 117.699 116.594 1.105 18438 8431 1 19 . 1 1 52 52 SER HA H 52 4.227 4.227 4.243 -0.016 18438 8432 1 19 . 1 1 52 52 SER C C 52 175.669 175.669 176.545 -0.876 18438 8433 1 19 . 1 1 52 52 SER CA C 52 63.312 63.312 62.468 0.845 18438 8434 1 19 . 1 1 52 52 SER CB C 52 63.520 63.520 63.042 0.478 18438 8435 1 19 . 1 1 52 52 SER H H 52 8.303 8.303 8.316 -0.013 18438 8436 1 19 . 1 1 53 53 ILE N N 53 121.571 121.571 122.096 -0.525 18438 8437 1 19 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.498 -0.217 18438 8438 1 19 . 1 1 53 53 ILE C C 53 176.685 176.685 177.324 -0.639 18438 8439 1 19 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.653 0.386 18438 8440 1 19 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.330 0.192 18438 8441 1 19 . 1 1 53 53 ILE H H 53 8.543 8.543 8.287 0.256 18438 8442 1 19 . 1 1 54 54 LYS N N 54 117.799 117.799 120.107 -2.308 18438 8443 1 19 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.813 0.064 18438 8444 1 19 . 1 1 54 54 LYS C C 54 179.107 179.107 178.962 0.145 18438 8445 1 19 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.306 0.546 18438 8446 1 19 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.051 -0.037 18438 8447 1 19 . 1 1 54 54 LYS H H 54 7.572 7.572 7.661 -0.089 18438 8448 1 19 . 1 1 55 55 ALA N N 55 121.284 121.284 121.546 -0.262 18438 8449 1 19 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.190 -0.075 18438 8450 1 19 . 1 1 55 55 ALA C C 55 180.201 180.201 180.176 0.025 18438 8451 1 19 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.891 0.106 18438 8452 1 19 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.352 -0.432 18438 8453 1 19 . 1 1 55 55 ALA H H 55 7.669 7.669 7.931 -0.262 18438 8454 1 19 . 1 1 56 56 LEU N N 56 119.236 119.236 118.659 0.577 18438 8455 1 19 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.099 0.321 18438 8456 1 19 . 1 1 56 56 LEU C C 56 179.966 179.966 178.727 1.239 18438 8457 1 19 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.254 -1.160 18438 8458 1 19 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.877 0.484 18438 8459 1 19 . 1 1 56 56 LEU H H 56 8.302 8.302 8.082 0.220 18438 8460 1 19 . 1 1 57 57 VAL N N 57 122.357 122.357 119.570 2.787 18438 8461 1 19 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.985 0.382 18438 8462 1 19 . 1 1 57 57 VAL C C 57 180.669 180.669 178.652 2.017 18438 8463 1 19 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.138 -1.032 18438 8464 1 19 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.553 0.453 18438 8465 1 19 . 1 1 57 57 VAL H H 57 8.555 8.555 8.150 0.405 18438 8466 1 19 . 1 1 58 58 GLN N N 58 120.472 120.472 119.201 1.271 18438 8467 1 19 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.097 0.028 18438 8468 1 19 . 1 1 58 58 GLN C C 58 177.154 177.154 177.318 -0.164 18438 8469 1 19 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.363 0.457 18438 8470 1 19 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.712 -0.512 18438 8471 1 19 . 1 1 58 58 GLN H H 58 8.078 8.078 7.625 0.453 18438 8472 1 19 . 1 1 59 59 ASN N N 59 114.176 114.176 115.736 -1.560 18438 8473 1 19 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.801 0.078 18438 8474 1 19 . 1 1 59 59 ASN C C 59 175.122 175.122 174.199 0.923 18438 8475 1 19 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.330 -1.750 18438 8476 1 19 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.447 -0.751 18438 8477 1 19 . 1 1 59 59 ASN H H 59 7.704 7.704 7.837 -0.133 18438 8478 1 19 . 1 1 60 60 ASP N N 60 113.376 113.376 113.766 -0.390 18438 8479 1 19 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.314 0.149 18438 8480 1 19 . 1 1 60 60 ASP C C 60 175.279 175.279 175.980 -0.701 18438 8481 1 19 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.756 0.316 18438 8482 1 19 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.508 1.401 18438 8483 1 19 . 1 1 60 60 ASP H H 60 7.900 7.900 7.528 0.372 18438 8484 1 19 . 1 1 61 61 THR N N 61 117.382 117.382 111.321 6.061 18438 8485 1 19 . 1 1 61 61 THR HA H 61 4.097 4.097 4.209 -0.112 18438 8486 1 19 . 1 1 61 61 THR C C 61 174.966 174.966 174.191 0.775 18438 8487 1 19 . 1 1 61 61 THR CA C 61 67.141 67.141 65.532 1.609 18438 8488 1 19 . 1 1 61 61 THR CB C 61 68.143 68.143 69.944 -1.801 18438 8489 1 19 . 1 1 61 61 THR H H 61 8.776 8.776 8.261 0.515 18438 8490 1 19 . 1 1 62 62 LEU N N 62 118.406 118.406 119.789 -1.383 18438 8491 1 19 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.390 -0.227 18438 8492 1 19 . 1 1 62 62 LEU C C 62 175.122 175.122 175.652 -0.530 18438 8493 1 19 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.265 -1.424 18438 8494 1 19 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.663 -0.198 18438 8495 1 19 . 1 1 62 62 LEU H H 62 7.653 7.653 7.530 0.123 18438 8496 1 19 . 1 1 63 63 LEU N N 63 119.075 119.075 121.211 -2.136 18438 8497 1 19 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.793 -0.143 18438 8498 1 19 . 1 1 63 63 LEU C C 63 175.904 175.904 175.819 0.085 18438 8499 1 19 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.700 -0.676 18438 8500 1 19 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.011 0.030 18438 8501 1 19 . 1 1 63 63 LEU H H 63 9.145 9.145 8.557 0.588 18438 8502 1 19 . 1 1 64 64 GLN N N 64 123.978 123.978 123.300 0.678 18438 8503 1 19 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.893 -0.317 18438 8504 1 19 . 1 1 64 64 GLN C C 64 175.435 175.435 175.028 0.407 18438 8505 1 19 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.587 -0.561 18438 8506 1 19 . 1 1 64 64 GLN CB C 64 29.256 29.256 29.670 -0.414 18438 8507 1 19 . 1 1 64 64 GLN H H 64 8.995 8.995 8.591 0.404 18438 8508 1 19 . 1 1 65 65 VAL N N 65 126.750 126.750 125.926 0.824 18438 8509 1 19 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.465 -0.440 18438 8510 1 19 . 1 1 65 65 VAL C C 65 175.747 175.747 174.311 1.436 18438 8511 1 19 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.315 0.605 18438 8512 1 19 . 1 1 65 65 VAL CB C 65 32.502 32.502 34.482 -1.980 18438 8513 1 19 . 1 1 65 65 VAL H H 65 8.520 8.520 8.868 -0.348 18438 8514 1 19 . 1 1 66 66 LYS N N 66 124.150 124.150 123.037 1.113 18438 8515 1 19 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.617 -0.405 18438 8516 1 19 . 1 1 66 66 LYS C C 66 176.607 176.607 177.050 -0.443 18438 8517 1 19 . 1 1 66 66 LYS CA C 66 56.776 56.776 54.652 2.124 18438 8518 1 19 . 1 1 66 66 LYS CB C 66 33.019 33.019 34.278 -1.259 18438 8519 1 19 . 1 1 66 66 LYS H H 66 8.311 8.311 8.290 0.021 18438 8520 1 19 . 1 1 67 67 GLY N N 67 109.952 109.952 109.543 0.409 18438 8521 1 19 . 1 1 67 67 GLY C C 67 173.716 173.716 175.142 -1.426 18438 8522 1 19 . 1 1 67 67 GLY CA C 67 44.902 44.902 46.039 -1.137 18438 8523 1 19 . 1 1 67 67 GLY H H 67 8.401 8.401 8.939 -0.538 18438 8524 1 19 . 1 1 68 68 THR N N 68 111.619 111.619 114.383 -2.764 18438 8525 1 19 . 1 1 68 68 THR HA H 68 4.399 4.399 4.287 0.112 18438 8526 1 19 . 1 1 68 68 THR C C 68 175.279 175.279 175.218 0.061 18438 8527 1 19 . 1 1 68 68 THR CA C 68 61.243 61.243 62.458 -1.215 18438 8528 1 19 . 1 1 68 68 THR CB C 68 69.860 69.860 69.138 0.722 18438 8529 1 19 . 1 1 68 68 THR H H 68 8.032 8.032 8.018 0.014 18438 8530 1 19 . 1 1 69 69 GLY N N 69 111.951 111.951 108.821 3.130 18438 8531 1 19 . 1 1 69 69 GLY C C 69 174.572 174.572 174.021 0.551 18438 8532 1 19 . 1 1 69 69 GLY CA C 69 45.580 45.580 43.712 1.867 18438 8533 1 19 . 1 1 69 69 GLY H H 69 8.581 8.581 7.472 1.109 18438 8534 1 19 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.075 0.227 18438 8535 1 19 . 1 1 70 70 ALA C C 70 177.774 177.774 178.562 -0.788 18438 8536 1 19 . 1 1 70 70 ALA CA C 70 53.061 53.061 54.186 -1.125 18438 8537 1 19 . 1 1 70 70 ALA CB C 70 18.921 18.921 18.739 0.182 18438 8538 1 19 . 1 1 71 71 ASN N N 71 115.782 115.782 116.796 -1.014 18438 8539 1 19 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.714 0.166 18438 8540 1 19 . 1 1 71 71 ASN C C 71 174.966 174.966 174.953 0.013 18438 8541 1 19 . 1 1 71 71 ASN CA C 71 52.744 52.744 52.691 0.053 18438 8542 1 19 . 1 1 71 71 ASN CB C 71 39.217 39.217 38.673 0.544 18438 8543 1 19 . 1 1 71 71 ASN H H 71 8.151 8.151 8.354 -0.203 18438 8544 1 19 . 1 1 72 72 GLY N N 72 107.783 107.783 107.675 0.108 18438 8545 1 19 . 1 1 72 72 GLY C C 72 172.700 172.700 172.906 -0.206 18438 8546 1 19 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.251 0.651 18438 8547 1 19 . 1 1 72 72 GLY H H 72 8.051 8.051 7.246 0.805 18438 8548 1 19 . 1 1 73 73 SER N N 73 114.063 114.063 118.031 -3.968 18438 8549 1 19 . 1 1 73 73 SER HA H 73 4.484 4.484 4.888 -0.404 18438 8550 1 19 . 1 1 73 73 SER C C 73 172.480 172.480 172.531 -0.051 18438 8551 1 19 . 1 1 73 73 SER CA C 73 56.717 56.717 57.559 -0.843 18438 8552 1 19 . 1 1 73 73 SER CB C 73 65.043 65.043 65.263 -0.220 18438 8553 1 19 . 1 1 73 73 SER H H 73 7.761 7.761 7.985 -0.224 18438 8554 1 19 . 1 1 74 74 PHE N N 74 119.449 119.449 119.706 -0.257 18438 8555 1 19 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.544 -0.062 18438 8556 1 19 . 1 1 74 74 PHE C C 74 174.185 174.185 175.131 -0.946 18438 8557 1 19 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.342 1.119 18438 8558 1 19 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.127 -0.116 18438 8559 1 19 . 1 1 74 74 PHE H H 74 8.489 8.489 8.595 -0.106 18438 8560 1 19 . 1 1 75 75 LYS N N 75 119.294 119.294 120.249 -0.955 18438 8561 1 19 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.895 0.064 18438 8562 1 19 . 1 1 75 75 LYS C C 75 175.669 175.669 174.757 0.912 18438 8563 1 19 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.270 -0.866 18438 8564 1 19 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.426 0.813 18438 8565 1 19 . 1 1 75 75 LYS H H 75 8.894 8.894 8.450 0.444 18438 8566 1 19 . 1 1 76 76 LEU N N 76 121.201 121.201 120.782 0.419 18438 8567 1 19 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.553 -0.181 18438 8568 1 19 . 1 1 76 76 LEU C C 76 177.075 177.075 177.011 0.064 18438 8569 1 19 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.844 0.934 18438 8570 1 19 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.080 -0.439 18438 8571 1 19 . 1 1 76 76 LEU H H 76 9.023 9.023 8.856 0.167 18438 8572 1 19 . 1 1 77 77 ASN N N 77 120.222 120.222 123.807 -3.585 18438 8573 1 19 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.688 -0.015 18438 8574 1 19 . 1 1 77 77 ASN C C 77 175.669 175.669 175.375 0.294 18438 8575 1 19 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.373 -1.571 18438 8576 1 19 . 1 1 77 77 ASN CB C 77 37.863 37.863 38.153 -0.290 18438 8577 1 19 . 1 1 77 77 ASN H H 77 8.333 8.333 8.427 -0.094 18438 8578 1 19 . 1 1 78 78 ARG N N 78 125.225 125.225 127.038 -1.813 18438 8579 1 19 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.431 -0.218 18438 8580 1 19 . 1 1 78 78 ARG C C 78 176.607 176.607 176.753 -0.146 18438 8581 1 19 . 1 1 78 78 ARG CA C 78 57.376 57.376 56.133 1.243 18438 8582 1 19 . 1 1 78 78 ARG CB C 78 30.041 30.041 31.020 -0.979 18438 8583 1 19 . 1 1 78 78 ARG H H 78 8.373 8.373 8.343 0.030 18438 8584 1 19 . 1 1 79 79 LYS N N 79 119.831 119.831 117.154 2.677 18438 8585 1 19 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.584 -0.379 18438 8586 1 19 . 1 1 79 79 LYS C C 79 177.075 177.075 176.352 0.723 18438 8587 1 19 . 1 1 79 79 LYS CA C 79 57.143 57.143 55.344 1.799 18438 8588 1 19 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.857 0.484 18438 8589 1 19 . 1 1 79 79 LYS H H 79 8.095 8.095 7.956 0.139 18438 8590 1 19 . 1 1 80 80 LYS N N 80 119.767 119.767 121.595 -1.828 18438 8591 1 19 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.076 0.228 18438 8592 1 19 . 1 1 80 80 LYS C C 80 176.607 176.607 177.910 -1.303 18438 8593 1 19 . 1 1 80 80 LYS CA C 80 56.085 56.085 58.809 -2.724 18438 8594 1 19 . 1 1 80 80 LYS CB C 80 33.017 33.017 32.084 0.933 18438 8595 1 19 . 1 1 80 80 LYS H H 80 7.671 7.671 8.455 -0.784 18438 8596 1 19 . 1 1 81 81 LEU N N 81 121.868 121.868 119.541 2.327 18438 8597 1 19 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.141 0.216 18438 8598 1 19 . 1 1 81 81 LEU C C 81 177.214 177.214 177.650 -0.436 18438 8599 1 19 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.009 -1.638 18438 8600 1 19 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.372 0.115 18438 8601 1 19 . 1 1 81 81 LEU H H 81 7.996 7.996 8.024 -0.028 18438 8602 1 19 . 1 1 82 82 GLU N N 82 120.499 120.499 116.763 3.736 18438 8603 1 19 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.486 -0.144 18438 8604 1 19 . 1 1 82 82 GLU C C 82 175.875 175.875 176.405 -0.530 18438 8605 1 19 . 1 1 82 82 GLU CA C 82 56.331 56.331 55.322 1.009 18438 8606 1 19 . 1 1 82 82 GLU CB C 82 30.322 30.322 29.678 0.644 18438 8607 1 19 . 1 1 82 82 GLU H H 82 8.262 8.262 7.863 0.399 18438 8608 1 20 . 1 1 3 3 MET HA H 3 4.270 4.270 4.240 0.030 18438 8609 1 20 . 1 1 3 3 MET C C 3 175.362 175.362 175.744 -0.382 18438 8610 1 20 . 1 1 3 3 MET CA C 3 55.318 55.318 57.352 -2.034 18438 8611 1 20 . 1 1 3 3 MET CB C 3 32.724 32.724 33.176 -0.452 18438 8612 1 20 . 1 1 4 4 GLN N N 4 122.983 122.983 118.725 4.258 18438 8613 1 20 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.627 -0.064 18438 8614 1 20 . 1 1 4 4 GLN C C 4 173.835 173.835 174.592 -0.757 18438 8615 1 20 . 1 1 4 4 GLN CA C 4 53.521 53.521 53.661 -0.140 18438 8616 1 20 . 1 1 4 4 GLN CB C 4 28.765 28.765 29.333 -0.568 18438 8617 1 20 . 1 1 4 4 GLN H H 4 8.267 8.267 8.074 0.193 18438 8618 1 20 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.345 -0.377 18438 8619 1 20 . 1 1 5 5 PRO CA C 5 63.992 63.992 63.287 0.705 18438 8620 1 20 . 1 1 5 5 PRO CB C 5 31.696 31.696 32.058 -0.362 18438 8621 1 20 . 1 1 6 6 GLY C C 6 175.512 175.512 174.444 1.068 18438 8622 1 20 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.554 1.482 18438 8623 1 20 . 1 1 7 7 LYS N N 7 121.187 121.187 126.872 -5.685 18438 8624 1 20 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.044 0.108 18438 8625 1 20 . 1 1 7 7 LYS C C 7 179.107 179.107 177.736 1.371 18438 8626 1 20 . 1 1 7 7 LYS CA C 7 57.955 57.955 58.299 -0.344 18438 8627 1 20 . 1 1 7 7 LYS CB C 7 31.641 31.641 32.561 -0.920 18438 8628 1 20 . 1 1 7 7 LYS H H 7 7.788 7.788 8.687 -0.898 18438 8629 1 20 . 1 1 8 8 TYR N N 8 119.428 119.428 117.824 1.604 18438 8630 1 20 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.627 -0.325 18438 8631 1 20 . 1 1 8 8 TYR C C 8 177.544 177.544 178.079 -0.535 18438 8632 1 20 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.806 1.794 18438 8633 1 20 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.085 0.085 18438 8634 1 20 . 1 1 8 8 TYR H H 8 8.197 8.197 8.695 -0.498 18438 8635 1 20 . 1 1 9 9 SER N N 9 116.845 116.845 114.419 2.426 18438 8636 1 20 . 1 1 9 9 SER HA H 9 4.241 4.241 4.155 0.086 18438 8637 1 20 . 1 1 9 9 SER C C 9 175.982 175.982 176.398 -0.416 18438 8638 1 20 . 1 1 9 9 SER CA C 9 62.258 62.258 61.843 0.415 18438 8639 1 20 . 1 1 9 9 SER CB C 9 62.254 62.254 62.781 -0.526 18438 8640 1 20 . 1 1 9 9 SER H H 9 8.279 8.279 8.749 -0.470 18438 8641 1 20 . 1 1 10 10 GLN N N 10 120.862 120.862 120.990 -0.128 18438 8642 1 20 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.103 -0.017 18438 8643 1 20 . 1 1 10 10 GLN C C 10 177.779 177.779 178.029 -0.250 18438 8644 1 20 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.650 0.092 18438 8645 1 20 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.776 -0.876 18438 8646 1 20 . 1 1 10 10 GLN H H 10 7.765 7.765 7.863 -0.098 18438 8647 1 20 . 1 1 11 11 LEU N N 11 119.752 119.752 121.234 -1.482 18438 8648 1 20 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.127 0.267 18438 8649 1 20 . 1 1 11 11 LEU C C 11 180.357 180.357 178.521 1.836 18438 8650 1 20 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.931 -0.216 18438 8651 1 20 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.880 0.058 18438 8652 1 20 . 1 1 11 11 LEU H H 11 7.805 7.805 7.916 -0.111 18438 8653 1 20 . 1 1 12 12 VAL N N 12 122.619 122.619 119.018 3.601 18438 8654 1 20 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.491 -0.160 18438 8655 1 20 . 1 1 12 12 VAL C C 12 176.841 176.841 177.920 -1.079 18438 8656 1 20 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.114 1.303 18438 8657 1 20 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.582 -0.263 18438 8658 1 20 . 1 1 12 12 VAL H H 12 8.355 8.355 7.716 0.639 18438 8659 1 20 . 1 1 13 13 VAL N N 13 118.472 118.472 119.834 -1.362 18438 8660 1 20 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.542 -0.148 18438 8661 1 20 . 1 1 13 13 VAL C C 13 177.622 177.622 178.369 -0.747 18438 8662 1 20 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.748 1.019 18438 8663 1 20 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.412 0.492 18438 8664 1 20 . 1 1 13 13 VAL H H 13 7.636 7.636 7.512 0.124 18438 8665 1 20 . 1 1 14 14 GLU N N 14 117.137 117.137 119.194 -2.057 18438 8666 1 20 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.076 -0.002 18438 8667 1 20 . 1 1 14 14 GLU C C 14 179.576 179.576 179.206 0.370 18438 8668 1 20 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.636 -0.807 18438 8669 1 20 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.209 0.191 18438 8670 1 20 . 1 1 14 14 GLU H H 14 8.642 8.642 8.123 0.519 18438 8671 1 20 . 1 1 15 15 THR N N 15 116.678 116.678 117.457 -0.779 18438 8672 1 20 . 1 1 15 15 THR HA H 15 3.859 3.859 4.011 -0.151 18438 8673 1 20 . 1 1 15 15 THR C C 15 175.669 175.669 176.832 -1.163 18438 8674 1 20 . 1 1 15 15 THR CA C 15 67.743 67.743 67.058 0.685 18438 8675 1 20 . 1 1 15 15 THR CB C 15 67.761 67.761 68.475 -0.714 18438 8676 1 20 . 1 1 15 15 THR H H 15 8.354 8.354 8.093 0.261 18438 8677 1 20 . 1 1 16 16 ILE N N 16 121.241 121.241 121.678 -0.437 18438 8678 1 20 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.790 -0.286 18438 8679 1 20 . 1 1 16 16 ILE C C 16 179.576 179.576 177.756 1.820 18438 8680 1 20 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.182 1.672 18438 8681 1 20 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.614 0.594 18438 8682 1 20 . 1 1 16 16 ILE H H 16 8.342 8.342 7.986 0.356 18438 8683 1 20 . 1 1 17 17 ARG N N 17 120.540 120.540 119.932 0.608 18438 8684 1 20 . 1 1 17 17 ARG HA H 17 3.982 3.982 3.957 0.025 18438 8685 1 20 . 1 1 17 17 ARG C C 17 178.482 178.482 178.695 -0.213 18438 8686 1 20 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.586 -0.059 18438 8687 1 20 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.225 0.077 18438 8688 1 20 . 1 1 17 17 ARG H H 17 8.496 8.496 7.565 0.931 18438 8689 1 20 . 1 1 18 18 ARG N N 18 118.955 118.955 118.582 0.373 18438 8690 1 20 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.110 -0.120 18438 8691 1 20 . 1 1 18 18 ARG C C 18 178.794 178.794 178.606 0.188 18438 8692 1 20 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.630 0.385 18438 8693 1 20 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.066 0.045 18438 8694 1 20 . 1 1 18 18 ARG H H 18 8.257 8.257 8.151 0.106 18438 8695 1 20 . 1 1 19 19 LEU N N 19 118.486 118.486 116.502 1.984 18438 8696 1 20 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.191 -0.138 18438 8697 1 20 . 1 1 19 19 LEU C C 19 179.419 179.419 177.607 1.812 18438 8698 1 20 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.449 1.653 18438 8699 1 20 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.256 0.040 18438 8700 1 20 . 1 1 19 19 LEU H H 19 8.179 8.179 7.853 0.326 18438 8701 1 20 . 1 1 20 20 GLY N N 20 104.303 104.303 105.588 -1.285 18438 8702 1 20 . 1 1 20 20 GLY C C 20 175.200 175.200 174.874 0.326 18438 8703 1 20 . 1 1 20 20 GLY CA C 20 47.485 47.485 44.977 2.508 18438 8704 1 20 . 1 1 20 20 GLY H H 20 7.520 7.520 7.495 0.025 18438 8705 1 20 . 1 1 21 21 GLU N N 21 118.725 118.725 121.197 -2.472 18438 8706 1 20 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.296 -0.076 18438 8707 1 20 . 1 1 21 21 GLU C C 21 179.280 179.280 176.287 2.993 18438 8708 1 20 . 1 1 21 21 GLU CA C 21 57.569 57.569 55.560 2.009 18438 8709 1 20 . 1 1 21 21 GLU CB C 21 29.980 29.980 28.745 1.235 18438 8710 1 20 . 1 1 21 21 GLU H H 21 8.674 8.674 7.735 0.939 18438 8711 1 20 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.070 -0.065 18438 8712 1 20 . 1 1 22 22 ARG C C 22 177.150 177.150 176.581 0.569 18438 8713 1 20 . 1 1 22 22 ARG CA C 22 59.467 59.467 58.479 0.988 18438 8714 1 20 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.435 -0.482 18438 8715 1 20 . 1 1 23 23 ASN N N 23 114.707 114.707 115.046 -0.339 18438 8716 1 20 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.706 0.292 18438 8717 1 20 . 1 1 23 23 ASN C C 23 174.888 174.888 174.371 0.517 18438 8718 1 20 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.929 -2.029 18438 8719 1 20 . 1 1 23 23 ASN CB C 23 38.504 38.504 40.366 -1.862 18438 8720 1 20 . 1 1 23 23 ASN H H 23 8.662 8.662 8.158 0.504 18438 8721 1 20 . 1 1 24 24 GLY N N 24 104.147 104.147 105.189 -1.042 18438 8722 1 20 . 1 1 24 24 GLY C C 24 172.075 172.075 172.809 -0.734 18438 8723 1 20 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.619 0.081 18438 8724 1 20 . 1 1 24 24 GLY H H 24 7.130 7.130 7.570 -0.440 18438 8725 1 20 . 1 1 25 25 SER N N 25 113.134 113.134 119.321 -6.187 18438 8726 1 20 . 1 1 25 25 SER HA H 25 5.329 5.329 4.754 0.575 18438 8727 1 20 . 1 1 25 25 SER C C 25 173.716 173.716 174.825 -1.109 18438 8728 1 20 . 1 1 25 25 SER CA C 25 57.259 57.259 57.184 0.075 18438 8729 1 20 . 1 1 25 25 SER CB C 25 66.600 66.600 64.292 2.308 18438 8730 1 20 . 1 1 25 25 SER H H 25 8.661 8.661 8.489 0.172 18438 8731 1 20 . 1 1 26 26 SER N N 26 121.159 121.159 121.807 -0.648 18438 8732 1 20 . 1 1 26 26 SER HA H 26 4.962 4.962 4.628 0.334 18438 8733 1 20 . 1 1 26 26 SER C C 26 174.732 174.732 175.690 -0.958 18438 8734 1 20 . 1 1 26 26 SER CA C 26 56.600 56.600 57.736 -1.136 18438 8735 1 20 . 1 1 26 26 SER CB C 26 65.369 65.369 64.167 1.202 18438 8736 1 20 . 1 1 26 26 SER H H 26 8.841 8.841 8.856 -0.015 18438 8737 1 20 . 1 1 27 27 LEU N N 27 121.372 121.372 123.387 -2.015 18438 8738 1 20 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.153 -0.048 18438 8739 1 20 . 1 1 27 27 LEU C C 27 177.935 177.935 178.080 -0.145 18438 8740 1 20 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.068 0.759 18438 8741 1 20 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.805 -0.864 18438 8742 1 20 . 1 1 27 27 LEU H H 27 9.303 9.303 8.929 0.374 18438 8743 1 20 . 1 1 28 28 ALA N N 28 119.606 119.606 120.722 -1.116 18438 8744 1 20 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.069 0.093 18438 8745 1 20 . 1 1 28 28 ALA C C 28 180.279 180.279 179.736 0.543 18438 8746 1 20 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.240 0.485 18438 8747 1 20 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.171 0.076 18438 8748 1 20 . 1 1 28 28 ALA H H 28 8.509 8.509 8.310 0.199 18438 8749 1 20 . 1 1 29 29 LYS N N 29 120.138 120.138 118.543 1.595 18438 8750 1 20 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.069 0.060 18438 8751 1 20 . 1 1 29 29 LYS C C 29 178.950 178.950 179.223 -0.273 18438 8752 1 20 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.947 -0.361 18438 8753 1 20 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.224 0.259 18438 8754 1 20 . 1 1 29 29 LYS H H 29 7.873 7.873 7.522 0.351 18438 8755 1 20 . 1 1 30 30 ILE N N 30 119.535 119.535 119.459 0.076 18438 8756 1 20 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.701 -0.196 18438 8757 1 20 . 1 1 30 30 ILE C C 30 177.466 177.466 177.783 -0.317 18438 8758 1 20 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.286 0.075 18438 8759 1 20 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.182 0.440 18438 8760 1 20 . 1 1 30 30 ILE H H 30 8.505 8.505 8.243 0.262 18438 8761 1 20 . 1 1 31 31 TYR N N 31 119.439 119.439 120.336 -0.897 18438 8762 1 20 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.000 -0.032 18438 8763 1 20 . 1 1 31 31 TYR C C 31 175.513 175.513 177.568 -2.055 18438 8764 1 20 . 1 1 31 31 TYR CA C 31 60.900 60.900 61.750 -0.850 18438 8765 1 20 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.352 -0.413 18438 8766 1 20 . 1 1 31 31 TYR H H 31 9.231 9.231 8.156 1.075 18438 8767 1 20 . 1 1 32 32 THR N N 32 113.378 113.378 114.191 -0.813 18438 8768 1 20 . 1 1 32 32 THR HA H 32 3.314 3.314 3.876 -0.562 18438 8769 1 20 . 1 1 32 32 THR C C 32 175.435 175.435 175.883 -0.448 18438 8770 1 20 . 1 1 32 32 THR CA C 32 66.900 66.900 66.021 0.879 18438 8771 1 20 . 1 1 32 32 THR CB C 32 68.631 68.631 68.461 0.170 18438 8772 1 20 . 1 1 32 32 THR H H 32 7.936 7.936 7.985 -0.049 18438 8773 1 20 . 1 1 33 33 GLU N N 33 117.565 117.565 119.115 -1.550 18438 8774 1 20 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.246 -0.196 18438 8775 1 20 . 1 1 33 33 GLU C C 33 178.716 178.716 177.597 1.119 18438 8776 1 20 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.378 -0.178 18438 8777 1 20 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.294 0.669 18438 8778 1 20 . 1 1 33 33 GLU H H 33 7.359 7.359 7.790 -0.431 18438 8779 1 20 . 1 1 34 34 ALA N N 34 124.323 124.323 122.044 2.279 18438 8780 1 20 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.877 -0.248 18438 8781 1 20 . 1 1 34 34 ALA C C 34 177.232 177.232 177.315 -0.083 18438 8782 1 20 . 1 1 34 34 ALA CA C 34 54.654 54.654 53.607 1.047 18438 8783 1 20 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.717 -0.426 18438 8784 1 20 . 1 1 34 34 ALA H H 34 8.940 8.940 7.416 1.524 18438 8785 1 20 . 1 1 35 35 LYS N N 35 110.920 110.920 115.009 -4.089 18438 8786 1 20 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.256 -0.476 18438 8787 1 20 . 1 1 35 35 LYS C C 35 176.060 176.060 176.543 -0.483 18438 8788 1 20 . 1 1 35 35 LYS CA C 35 56.704 56.704 56.461 0.243 18438 8789 1 20 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.111 -0.313 18438 8790 1 20 . 1 1 35 35 LYS H H 35 7.277 7.277 7.359 -0.082 18438 8791 1 20 . 1 1 36 36 LYS N N 36 116.850 116.850 119.569 -2.719 18438 8792 1 20 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.277 -0.357 18438 8793 1 20 . 1 1 36 36 LYS C C 36 177.544 177.544 175.352 2.192 18438 8794 1 20 . 1 1 36 36 LYS CA C 36 56.783 56.783 55.715 1.068 18438 8795 1 20 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.760 0.284 18438 8796 1 20 . 1 1 36 36 LYS H H 36 6.808 6.808 7.333 -0.525 18438 8797 1 20 . 1 1 37 37 VAL N N 37 120.331 120.331 118.583 1.748 18438 8798 1 20 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.355 -0.211 18438 8799 1 20 . 1 1 37 37 VAL C C 37 177.134 177.134 174.871 2.263 18438 8800 1 20 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.005 2.223 18438 8801 1 20 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.316 -0.255 18438 8802 1 20 . 1 1 37 37 VAL H H 37 7.413 7.413 7.202 0.211 18438 8803 1 20 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.355 -0.049 18438 8804 1 20 . 1 1 38 38 PRO C C 38 176.763 176.763 176.568 0.195 18438 8805 1 20 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.768 0.652 18438 8806 1 20 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.083 -0.121 18438 8807 1 20 . 1 1 39 39 TRP N N 39 110.211 110.211 114.901 -4.690 18438 8808 1 20 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.739 -0.015 18438 8809 1 20 . 1 1 39 39 TRP C C 39 176.216 176.216 175.728 0.488 18438 8810 1 20 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.187 -1.687 18438 8811 1 20 . 1 1 39 39 TRP CB C 39 28.927 28.927 29.077 -0.150 18438 8812 1 20 . 1 1 39 39 TRP H H 39 6.356 6.356 7.357 -1.001 18438 8813 1 20 . 1 1 40 40 PHE N N 40 124.624 124.624 123.942 0.682 18438 8814 1 20 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.055 -0.359 18438 8815 1 20 . 1 1 40 40 PHE C C 40 174.966 174.966 175.530 -0.564 18438 8816 1 20 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.446 1.762 18438 8817 1 20 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.531 0.247 18438 8818 1 20 . 1 1 40 40 PHE H H 40 7.282 7.282 7.045 0.237 18438 8819 1 20 . 1 1 41 41 ASP N N 41 127.204 127.204 128.351 -1.147 18438 8820 1 20 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.673 -0.031 18438 8821 1 20 . 1 1 41 41 ASP C C 41 175.904 175.904 175.864 0.040 18438 8822 1 20 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.415 -0.086 18438 8823 1 20 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.493 -1.213 18438 8824 1 20 . 1 1 41 41 ASP H H 41 7.038 7.038 8.169 -1.131 18438 8825 1 20 . 1 1 42 42 GLN N N 42 125.531 125.531 124.033 1.498 18438 8826 1 20 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.477 -0.300 18438 8827 1 20 . 1 1 42 42 GLN C C 42 178.169 178.169 176.484 1.685 18438 8828 1 20 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.103 0.856 18438 8829 1 20 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.689 -1.167 18438 8830 1 20 . 1 1 42 42 GLN H H 42 9.072 9.072 8.783 0.289 18438 8831 1 20 . 1 1 43 43 GLN N N 43 118.221 118.221 119.330 -1.109 18438 8832 1 20 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.369 -0.042 18438 8833 1 20 . 1 1 43 43 GLN C C 43 177.154 177.154 177.636 -0.482 18438 8834 1 20 . 1 1 43 43 GLN CA C 43 58.141 58.141 56.992 1.149 18438 8835 1 20 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.628 -0.374 18438 8836 1 20 . 1 1 43 43 GLN H H 43 8.356 8.356 7.821 0.535 18438 8837 1 20 . 1 1 44 44 ASN N N 44 115.402 115.402 117.426 -2.024 18438 8838 1 20 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.548 0.183 18438 8839 1 20 . 1 1 44 44 ASN C C 44 175.200 175.200 176.544 -1.344 18438 8840 1 20 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.177 -1.577 18438 8841 1 20 . 1 1 44 44 ASN CB C 44 41.059 41.059 39.054 2.005 18438 8842 1 20 . 1 1 44 44 ASN H H 44 8.163 8.163 8.485 -0.322 18438 8843 1 20 . 1 1 45 45 GLY N N 45 109.680 109.680 108.725 0.955 18438 8844 1 20 . 1 1 45 45 GLY C C 45 175.200 175.200 175.591 -0.391 18438 8845 1 20 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.777 1.423 18438 8846 1 20 . 1 1 45 45 GLY H H 45 8.094 8.094 8.023 0.071 18438 8847 1 20 . 1 1 46 46 ARG N N 46 121.367 121.367 120.124 1.243 18438 8848 1 20 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.378 -0.489 18438 8849 1 20 . 1 1 46 46 ARG C C 46 178.091 178.091 177.926 0.165 18438 8850 1 20 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.956 0.914 18438 8851 1 20 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.924 -0.641 18438 8852 1 20 . 1 1 46 46 ARG H H 46 8.893 8.893 8.380 0.513 18438 8853 1 20 . 1 1 47 47 THR N N 47 116.630 116.630 117.010 -0.380 18438 8854 1 20 . 1 1 47 47 THR HA H 47 3.668 3.668 4.064 -0.396 18438 8855 1 20 . 1 1 47 47 THR C C 47 176.060 176.060 176.850 -0.790 18438 8856 1 20 . 1 1 47 47 THR CA C 47 66.345 66.345 67.067 -0.722 18438 8857 1 20 . 1 1 47 47 THR CB C 47 67.794 67.794 68.253 -0.459 18438 8858 1 20 . 1 1 47 47 THR H H 47 7.397 7.397 7.595 -0.198 18438 8859 1 20 . 1 1 48 48 TYR N N 48 120.826 120.826 120.744 0.082 18438 8860 1 20 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.263 0.150 18438 8861 1 20 . 1 1 48 48 TYR C C 48 180.279 180.279 178.172 2.107 18438 8862 1 20 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.867 -1.947 18438 8863 1 20 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.931 -1.831 18438 8864 1 20 . 1 1 48 48 TYR H H 48 7.529 7.529 7.394 0.135 18438 8865 1 20 . 1 1 49 49 LEU N N 49 120.670 120.670 120.462 0.208 18438 8866 1 20 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.121 -0.058 18438 8867 1 20 . 1 1 49 49 LEU C C 49 178.091 178.091 179.043 -0.952 18438 8868 1 20 . 1 1 49 49 LEU CA C 49 58.259 58.259 58.306 -0.047 18438 8869 1 20 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.775 0.484 18438 8870 1 20 . 1 1 49 49 LEU H H 49 8.847 8.847 8.700 0.147 18438 8871 1 20 . 1 1 50 50 LYS N N 50 119.596 119.596 119.308 0.288 18438 8872 1 20 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.889 -0.119 18438 8873 1 20 . 1 1 50 50 LYS C C 50 179.263 179.263 179.125 0.138 18438 8874 1 20 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.374 1.263 18438 8875 1 20 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.108 -0.110 18438 8876 1 20 . 1 1 50 50 LYS H H 50 8.001 8.001 7.817 0.184 18438 8877 1 20 . 1 1 51 51 TYR N N 51 118.606 118.606 119.036 -0.430 18438 8878 1 20 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.294 0.005 18438 8879 1 20 . 1 1 51 51 TYR C C 51 179.107 179.107 178.347 0.760 18438 8880 1 20 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.613 -1.375 18438 8881 1 20 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.500 -1.163 18438 8882 1 20 . 1 1 51 51 TYR H H 51 8.274 8.274 8.250 0.024 18438 8883 1 20 . 1 1 52 52 SER N N 52 117.699 117.699 117.057 0.642 18438 8884 1 20 . 1 1 52 52 SER HA H 52 4.227 4.227 4.176 0.051 18438 8885 1 20 . 1 1 52 52 SER C C 52 175.669 175.669 176.664 -0.995 18438 8886 1 20 . 1 1 52 52 SER CA C 52 63.312 63.312 62.705 0.607 18438 8887 1 20 . 1 1 52 52 SER CB C 52 63.520 63.520 63.114 0.406 18438 8888 1 20 . 1 1 52 52 SER H H 52 8.303 8.303 8.110 0.193 18438 8889 1 20 . 1 1 53 53 ILE N N 53 121.571 121.571 122.896 -1.325 18438 8890 1 20 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.447 -0.166 18438 8891 1 20 . 1 1 53 53 ILE C C 53 176.685 176.685 177.156 -0.471 18438 8892 1 20 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.725 0.314 18438 8893 1 20 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.489 0.033 18438 8894 1 20 . 1 1 53 53 ILE H H 53 8.543 8.543 8.304 0.239 18438 8895 1 20 . 1 1 54 54 LYS N N 54 117.799 117.799 119.964 -2.165 18438 8896 1 20 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.839 0.038 18438 8897 1 20 . 1 1 54 54 LYS C C 54 179.107 179.107 178.774 0.333 18438 8898 1 20 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.694 0.158 18438 8899 1 20 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.239 -0.225 18438 8900 1 20 . 1 1 54 54 LYS H H 54 7.572 7.572 7.835 -0.263 18438 8901 1 20 . 1 1 55 55 ALA N N 55 121.284 121.284 121.610 -0.326 18438 8902 1 20 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.129 -0.014 18438 8903 1 20 . 1 1 55 55 ALA C C 55 180.201 180.201 179.691 0.510 18438 8904 1 20 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.930 0.067 18438 8905 1 20 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.485 -0.565 18438 8906 1 20 . 1 1 55 55 ALA H H 55 7.669 7.669 7.854 -0.185 18438 8907 1 20 . 1 1 56 56 LEU N N 56 119.236 119.236 118.565 0.671 18438 8908 1 20 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.068 0.352 18438 8909 1 20 . 1 1 56 56 LEU C C 56 179.966 179.966 178.866 1.100 18438 8910 1 20 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.245 -1.151 18438 8911 1 20 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.843 0.518 18438 8912 1 20 . 1 1 56 56 LEU H H 56 8.302 8.302 7.828 0.474 18438 8913 1 20 . 1 1 57 57 VAL N N 57 122.357 122.357 119.337 3.020 18438 8914 1 20 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.957 0.410 18438 8915 1 20 . 1 1 57 57 VAL C C 57 180.669 180.669 178.728 1.941 18438 8916 1 20 . 1 1 57 57 VAL CA C 57 65.106 65.106 66.112 -1.006 18438 8917 1 20 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.569 0.437 18438 8918 1 20 . 1 1 57 57 VAL H H 57 8.555 8.555 8.155 0.400 18438 8919 1 20 . 1 1 58 58 GLN N N 58 120.472 120.472 119.426 1.046 18438 8920 1 20 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.093 0.032 18438 8921 1 20 . 1 1 58 58 GLN C C 58 177.154 177.154 177.314 -0.160 18438 8922 1 20 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.460 0.360 18438 8923 1 20 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.770 -0.570 18438 8924 1 20 . 1 1 58 58 GLN H H 58 8.078 8.078 7.858 0.220 18438 8925 1 20 . 1 1 59 59 ASN N N 59 114.176 114.176 114.714 -0.538 18438 8926 1 20 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.791 0.088 18438 8927 1 20 . 1 1 59 59 ASN C C 59 175.122 175.122 174.302 0.820 18438 8928 1 20 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.331 -1.751 18438 8929 1 20 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.624 -0.929 18438 8930 1 20 . 1 1 59 59 ASN H H 59 7.704 7.704 7.746 -0.042 18438 8931 1 20 . 1 1 60 60 ASP N N 60 113.376 113.376 115.135 -1.759 18438 8932 1 20 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.312 0.151 18438 8933 1 20 . 1 1 60 60 ASP C C 60 175.279 175.279 176.037 -0.758 18438 8934 1 20 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.821 0.251 18438 8935 1 20 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.886 1.023 18438 8936 1 20 . 1 1 60 60 ASP H H 60 7.900 7.900 7.719 0.181 18438 8937 1 20 . 1 1 61 61 THR N N 61 117.382 117.382 111.264 6.118 18438 8938 1 20 . 1 1 61 61 THR HA H 61 4.097 4.097 4.153 -0.056 18438 8939 1 20 . 1 1 61 61 THR C C 61 174.966 174.966 174.296 0.670 18438 8940 1 20 . 1 1 61 61 THR CA C 61 67.141 67.141 65.491 1.650 18438 8941 1 20 . 1 1 61 61 THR CB C 61 68.143 68.143 69.673 -1.530 18438 8942 1 20 . 1 1 61 61 THR H H 61 8.776 8.776 8.143 0.633 18438 8943 1 20 . 1 1 62 62 LEU N N 62 118.406 118.406 120.174 -1.768 18438 8944 1 20 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.291 -0.128 18438 8945 1 20 . 1 1 62 62 LEU C C 62 175.122 175.122 175.861 -0.739 18438 8946 1 20 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.304 -1.463 18438 8947 1 20 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.334 0.131 18438 8948 1 20 . 1 1 62 62 LEU H H 62 7.653 7.653 7.578 0.075 18438 8949 1 20 . 1 1 63 63 LEU N N 63 119.075 119.075 122.125 -3.050 18438 8950 1 20 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.693 -0.043 18438 8951 1 20 . 1 1 63 63 LEU C C 63 175.904 175.904 175.912 -0.008 18438 8952 1 20 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.757 -0.733 18438 8953 1 20 . 1 1 63 63 LEU CB C 63 44.041 44.041 43.775 0.266 18438 8954 1 20 . 1 1 63 63 LEU H H 63 9.145 9.145 8.681 0.464 18438 8955 1 20 . 1 1 64 64 GLN N N 64 123.978 123.978 125.158 -1.180 18438 8956 1 20 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.404 0.172 18438 8957 1 20 . 1 1 64 64 GLN C C 64 175.435 175.435 175.983 -0.548 18438 8958 1 20 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.970 -0.944 18438 8959 1 20 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.544 0.712 18438 8960 1 20 . 1 1 64 64 GLN H H 64 8.995 8.995 8.935 0.060 18438 8961 1 20 . 1 1 65 65 VAL N N 65 126.750 126.750 129.665 -2.915 18438 8962 1 20 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.154 -0.129 18438 8963 1 20 . 1 1 65 65 VAL C C 65 175.747 175.747 174.907 0.840 18438 8964 1 20 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.008 0.912 18438 8965 1 20 . 1 1 65 65 VAL CB C 65 32.502 32.502 29.587 2.915 18438 8966 1 20 . 1 1 65 65 VAL H H 65 8.520 8.520 8.592 -0.072 18438 8967 1 20 . 1 1 66 66 LYS N N 66 124.150 124.150 121.481 2.669 18438 8968 1 20 . 1 1 66 66 LYS HA H 66 4.212 4.212 3.817 0.395 18438 8969 1 20 . 1 1 66 66 LYS C C 66 176.607 176.607 177.402 -0.795 18438 8970 1 20 . 1 1 66 66 LYS CA C 66 56.776 56.776 56.814 -0.038 18438 8971 1 20 . 1 1 66 66 LYS CB C 66 33.019 33.019 32.156 0.863 18438 8972 1 20 . 1 1 66 66 LYS H H 66 8.311 8.311 7.490 0.821 18438 8973 1 20 . 1 1 67 67 GLY N N 67 109.952 109.952 114.661 -4.709 18438 8974 1 20 . 1 1 67 67 GLY C C 67 173.716 173.716 173.927 -0.211 18438 8975 1 20 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.960 -1.058 18438 8976 1 20 . 1 1 67 67 GLY H H 67 8.401 8.401 8.316 0.085 18438 8977 1 20 . 1 1 68 68 THR N N 68 111.619 111.619 115.621 -4.002 18438 8978 1 20 . 1 1 68 68 THR HA H 68 4.399 4.399 3.947 0.452 18438 8979 1 20 . 1 1 68 68 THR C C 68 175.279 175.279 174.817 0.462 18438 8980 1 20 . 1 1 68 68 THR CA C 68 61.243 61.243 62.964 -1.721 18438 8981 1 20 . 1 1 68 68 THR CB C 68 69.860 69.860 67.528 2.332 18438 8982 1 20 . 1 1 68 68 THR H H 68 8.032 8.032 8.456 -0.424 18438 8983 1 20 . 1 1 69 69 GLY N N 69 111.951 111.951 105.312 6.639 18438 8984 1 20 . 1 1 69 69 GLY C C 69 174.572 174.572 173.350 1.222 18438 8985 1 20 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.126 0.454 18438 8986 1 20 . 1 1 69 69 GLY H H 69 8.581 8.581 8.339 0.242 18438 8987 1 20 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.686 -0.384 18438 8988 1 20 . 1 1 70 70 ALA C C 70 177.774 177.774 176.186 1.588 18438 8989 1 20 . 1 1 70 70 ALA CA C 70 53.061 53.061 51.437 1.624 18438 8990 1 20 . 1 1 70 70 ALA CB C 70 18.921 18.921 19.750 -0.829 18438 8991 1 20 . 1 1 71 71 ASN N N 71 115.782 115.782 117.000 -1.218 18438 8992 1 20 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.568 0.312 18438 8993 1 20 . 1 1 71 71 ASN C C 71 174.966 174.966 175.433 -0.467 18438 8994 1 20 . 1 1 71 71 ASN CA C 71 52.744 52.744 55.049 -2.305 18438 8995 1 20 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.035 0.182 18438 8996 1 20 . 1 1 71 71 ASN H H 71 8.151 8.151 8.582 -0.431 18438 8997 1 20 . 1 1 72 72 GLY N N 72 107.783 107.783 104.311 3.472 18438 8998 1 20 . 1 1 72 72 GLY C C 72 172.700 172.700 172.283 0.417 18438 8999 1 20 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.698 0.204 18438 9000 1 20 . 1 1 72 72 GLY H H 72 8.051 8.051 7.654 0.397 18438 9001 1 20 . 1 1 73 73 SER N N 73 114.063 114.063 120.899 -6.836 18438 9002 1 20 . 1 1 73 73 SER HA H 73 4.484 4.484 4.612 -0.128 18438 9003 1 20 . 1 1 73 73 SER C C 73 172.480 172.480 172.729 -0.249 18438 9004 1 20 . 1 1 73 73 SER CA C 73 56.717 56.717 57.819 -1.102 18438 9005 1 20 . 1 1 73 73 SER CB C 73 65.043 65.043 64.569 0.474 18438 9006 1 20 . 1 1 73 73 SER H H 73 7.761 7.761 8.122 -0.361 18438 9007 1 20 . 1 1 74 74 PHE N N 74 119.449 119.449 118.500 0.949 18438 9008 1 20 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.542 -0.060 18438 9009 1 20 . 1 1 74 74 PHE C C 74 174.185 174.185 174.860 -0.675 18438 9010 1 20 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.714 0.747 18438 9011 1 20 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.397 -0.386 18438 9012 1 20 . 1 1 74 74 PHE H H 74 8.489 8.489 8.355 0.134 18438 9013 1 20 . 1 1 75 75 LYS N N 75 119.294 119.294 120.365 -1.071 18438 9014 1 20 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.881 0.078 18438 9015 1 20 . 1 1 75 75 LYS C C 75 175.669 175.669 174.663 1.006 18438 9016 1 20 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.365 -0.961 18438 9017 1 20 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.141 1.098 18438 9018 1 20 . 1 1 75 75 LYS H H 75 8.894 8.894 8.334 0.560 18438 9019 1 20 . 1 1 76 76 LEU N N 76 121.201 121.201 121.128 0.073 18438 9020 1 20 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.519 -0.147 18438 9021 1 20 . 1 1 76 76 LEU C C 76 177.075 177.075 176.498 0.577 18438 9022 1 20 . 1 1 76 76 LEU CA C 76 55.778 55.778 54.838 0.940 18438 9023 1 20 . 1 1 76 76 LEU CB C 76 41.641 41.641 41.384 0.257 18438 9024 1 20 . 1 1 76 76 LEU H H 76 9.023 9.023 8.789 0.234 18438 9025 1 20 . 1 1 77 77 ASN N N 77 120.222 120.222 123.066 -2.844 18438 9026 1 20 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.719 -0.046 18438 9027 1 20 . 1 1 77 77 ASN C C 77 175.669 175.669 174.802 0.867 18438 9028 1 20 . 1 1 77 77 ASN CA C 77 51.802 51.802 52.772 -0.970 18438 9029 1 20 . 1 1 77 77 ASN CB C 77 37.863 37.863 40.004 -2.141 18438 9030 1 20 . 1 1 77 77 ASN H H 77 8.333 8.333 8.289 0.044 18438 9031 1 20 . 1 1 78 78 ARG N N 78 125.225 125.225 123.564 1.661 18438 9032 1 20 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.395 -0.182 18438 9033 1 20 . 1 1 78 78 ARG C C 78 176.607 176.607 176.074 0.533 18438 9034 1 20 . 1 1 78 78 ARG CA C 78 57.376 57.376 56.226 1.150 18438 9035 1 20 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.786 -0.745 18438 9036 1 20 . 1 1 78 78 ARG H H 78 8.373 8.373 8.487 -0.114 18438 9037 1 20 . 1 1 79 79 LYS N N 79 119.831 119.831 122.690 -2.859 18438 9038 1 20 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.007 0.198 18438 9039 1 20 . 1 1 79 79 LYS C C 79 177.075 177.075 176.980 0.095 18438 9040 1 20 . 1 1 79 79 LYS CA C 79 57.143 57.143 57.283 -0.140 18438 9041 1 20 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.758 0.583 18438 9042 1 20 . 1 1 79 79 LYS H H 79 8.095 8.095 8.930 -0.835 18438 9043 1 20 . 1 1 80 80 LYS N N 80 119.767 119.767 118.757 1.010 18438 9044 1 20 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.210 0.094 18438 9045 1 20 . 1 1 80 80 LYS C C 80 176.607 176.607 177.572 -0.965 18438 9046 1 20 . 1 1 80 80 LYS CA C 80 56.085 56.085 57.632 -1.547 18438 9047 1 20 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.551 1.466 18438 9048 1 20 . 1 1 80 80 LYS H H 80 7.671 7.671 8.545 -0.874 18438 9049 1 20 . 1 1 81 81 LEU N N 81 121.868 121.868 120.287 1.581 18438 9050 1 20 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.120 0.237 18438 9051 1 20 . 1 1 81 81 LEU C C 81 177.214 177.214 177.399 -0.185 18438 9052 1 20 . 1 1 81 81 LEU CA C 81 55.371 55.371 56.501 -1.130 18438 9053 1 20 . 1 1 81 81 LEU CB C 81 42.487 42.487 41.792 0.695 18438 9054 1 20 . 1 1 81 81 LEU H H 81 7.996 7.996 7.876 0.120 18438 9055 1 20 . 1 1 82 82 GLU N N 82 120.499 120.499 114.765 5.734 18438 9056 1 20 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.001 0.341 18438 9057 1 20 . 1 1 82 82 GLU C C 82 175.875 175.875 176.538 -0.663 18438 9058 1 20 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.815 -0.484 18438 9059 1 20 . 1 1 82 82 GLU CB C 82 30.322 30.322 27.762 2.560 18438 9060 1 20 . 1 1 82 82 GLU H H 82 8.262 8.262 7.885 0.377 18438 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 74 2.578 0.468 2.553 18438 2 1 1 "Average Difference" HA 87 0.242 0.033 0.241 18438 3 1 1 "Average Difference" C 79 0.947 -0.092 0.948 18438 4 1 1 "Average Difference" CA 80 1.191 -0.066 1.197 18438 5 1 1 "Average Difference" CB 73 0.901 0.092 0.903 18438 6 1 1 "Average Difference" HN 74 0.457 -0.095 0.450 18438 7 1 2 "Average Difference" N 74 2.484 0.488 2.452 18438 8 1 2 "Average Difference" HA 87 0.253 0.013 0.254 18438 9 1 2 "Average Difference" C 79 0.942 -0.059 0.946 18438 10 1 2 "Average Difference" CA 80 1.142 -0.098 1.145 18438 11 1 2 "Average Difference" CB 73 0.845 -0.015 0.851 18438 12 1 2 "Average Difference" HN 74 0.439 -0.058 0.438 18438 13 1 3 "Average Difference" N 74 2.575 0.496 2.544 18438 14 1 3 "Average Difference" HA 87 0.255 0.029 0.255 18438 15 1 3 "Average Difference" C 79 0.967 -0.040 0.973 18438 16 1 3 "Average Difference" CA 80 1.122 -0.142 1.120 18438 17 1 3 "Average Difference" CB 73 1.037 0.009 1.044 18438 18 1 3 "Average Difference" HN 74 0.475 -0.115 0.464 18438 19 1 4 "Average Difference" N 74 2.367 0.491 2.332 18438 20 1 4 "Average Difference" HA 87 0.245 0.029 0.245 18438 21 1 4 "Average Difference" C 79 0.952 -0.050 0.957 18438 22 1 4 "Average Difference" CA 80 1.180 -0.111 1.182 18438 23 1 4 "Average Difference" CB 73 0.917 -0.102 0.917 18438 24 1 4 "Average Difference" HN 74 0.407 -0.116 0.393 18438 25 1 5 "Average Difference" N 74 2.202 0.478 2.164 18438 26 1 5 "Average Difference" HA 87 0.247 0.010 0.248 18438 27 1 5 "Average Difference" C 79 1.077 -0.081 1.081 18438 28 1 5 "Average Difference" CA 80 1.158 -0.112 1.160 18438 29 1 5 "Average Difference" CB 73 0.781 0.002 0.786 18438 30 1 5 "Average Difference" HN 74 0.454 -0.098 0.446 18438 31 1 6 "Average Difference" N 74 2.338 0.425 2.314 18438 32 1 6 "Average Difference" HA 87 0.251 0.028 0.250 18438 33 1 6 "Average Difference" C 79 1.004 -0.065 1.008 18438 34 1 6 "Average Difference" CA 80 1.222 -0.116 1.225 18438 35 1 6 "Average Difference" CB 73 0.816 -0.115 0.813 18438 36 1 6 "Average Difference" HN 74 0.476 -0.138 0.459 18438 37 1 7 "Average Difference" N 74 2.628 0.257 2.634 18438 38 1 7 "Average Difference" HA 87 0.261 0.025 0.262 18438 39 1 7 "Average Difference" C 79 0.938 -0.144 0.933 18438 40 1 7 "Average Difference" CA 80 1.030 -0.111 1.030 18438 41 1 7 "Average Difference" CB 73 0.928 0.102 0.929 18438 42 1 7 "Average Difference" HN 74 0.476 -0.128 0.461 18438 43 1 8 "Average Difference" N 74 2.395 0.432 2.372 18438 44 1 8 "Average Difference" HA 87 0.249 0.028 0.249 18438 45 1 8 "Average Difference" C 79 0.994 -0.010 1.000 18438 46 1 8 "Average Difference" CA 80 1.187 -0.075 1.192 18438 47 1 8 "Average Difference" CB 73 0.942 0.037 0.947 18438 48 1 8 "Average Difference" HN 74 0.509 -0.145 0.491 18438 49 1 9 "Average Difference" N 74 2.547 0.353 2.539 18438 50 1 9 "Average Difference" HA 87 0.293 0.035 0.293 18438 51 1 9 "Average Difference" C 79 0.999 -0.030 1.005 18438 52 1 9 "Average Difference" CA 80 1.165 -0.035 1.172 18438 53 1 9 "Average Difference" CB 73 0.891 0.022 0.897 18438 54 1 9 "Average Difference" HN 74 0.497 -0.116 0.487 18438 55 1 10 "Average Difference" N 74 2.562 0.200 2.572 18438 56 1 10 "Average Difference" HA 87 0.258 0.009 0.259 18438 57 1 10 "Average Difference" C 79 0.960 -0.011 0.966 18438 58 1 10 "Average Difference" CA 80 1.246 -0.113 1.248 18438 59 1 10 "Average Difference" CB 73 0.902 0.023 0.908 18438 60 1 10 "Average Difference" HN 74 0.499 -0.156 0.477 18438 61 1 11 "Average Difference" N 74 2.179 0.424 2.151 18438 62 1 11 "Average Difference" HA 87 0.254 0.063 0.248 18438 63 1 11 "Average Difference" C 79 0.954 -0.084 0.956 18438 64 1 11 "Average Difference" CA 80 1.164 -0.134 1.163 18438 65 1 11 "Average Difference" CB 73 0.849 0.111 0.848 18438 66 1 11 "Average Difference" HN 74 0.444 -0.129 0.428 18438 67 1 12 "Average Difference" N 74 2.251 0.405 2.230 18438 68 1 12 "Average Difference" HA 87 0.237 0.027 0.237 18438 69 1 12 "Average Difference" C 79 1.050 -0.122 1.050 18438 70 1 12 "Average Difference" CA 80 1.158 -0.069 1.164 18438 71 1 12 "Average Difference" CB 73 0.961 0.095 0.963 18438 72 1 12 "Average Difference" HN 74 0.483 -0.134 0.467 18438 73 1 13 "Average Difference" N 74 2.151 0.536 2.098 18438 74 1 13 "Average Difference" HA 87 0.254 0.019 0.254 18438 75 1 13 "Average Difference" C 79 0.967 0.009 0.973 18438 76 1 13 "Average Difference" CA 80 1.085 -0.086 1.088 18438 77 1 13 "Average Difference" CB 73 0.847 -0.024 0.852 18438 78 1 13 "Average Difference" HN 74 0.455 -0.111 0.444 18438 79 1 14 "Average Difference" N 74 2.579 0.176 2.590 18438 80 1 14 "Average Difference" HA 87 0.216 0.029 0.216 18438 81 1 14 "Average Difference" C 79 1.003 -0.093 1.005 18438 82 1 14 "Average Difference" CA 80 1.195 -0.096 1.199 18438 83 1 14 "Average Difference" CB 73 0.836 -0.007 0.841 18438 84 1 14 "Average Difference" HN 74 0.462 -0.093 0.456 18438 85 1 15 "Average Difference" N 74 2.107 0.364 2.089 18438 86 1 15 "Average Difference" HA 87 0.266 -0.007 0.268 18438 87 1 15 "Average Difference" C 79 0.920 0.066 0.924 18438 88 1 15 "Average Difference" CA 80 1.096 -0.120 1.096 18438 89 1 15 "Average Difference" CB 73 0.857 0.056 0.861 18438 90 1 15 "Average Difference" HN 74 0.490 -0.143 0.472 18438 91 1 16 "Average Difference" N 74 2.143 0.297 2.137 18438 92 1 16 "Average Difference" HA 87 0.227 0.016 0.228 18438 93 1 16 "Average Difference" C 79 0.953 0.053 0.958 18438 94 1 16 "Average Difference" CA 80 1.121 -0.129 1.120 18438 95 1 16 "Average Difference" CB 73 0.801 0.098 0.800 18438 96 1 16 "Average Difference" HN 74 0.459 -0.142 0.440 18438 97 1 17 "Average Difference" N 74 2.640 0.542 2.602 18438 98 1 17 "Average Difference" HA 87 0.284 -0.000 0.285 18438 99 1 17 "Average Difference" C 79 1.026 -0.036 1.032 18438 100 1 17 "Average Difference" CA 80 1.228 -0.029 1.236 18438 101 1 17 "Average Difference" CB 73 0.977 0.042 0.983 18438 102 1 17 "Average Difference" HN 74 0.417 -0.112 0.405 18438 103 1 18 "Average Difference" N 74 2.535 0.537 2.494 18438 104 1 18 "Average Difference" HA 87 0.271 0.050 0.268 18438 105 1 18 "Average Difference" C 79 1.049 -0.064 1.054 18438 106 1 18 "Average Difference" CA 80 1.158 -0.112 1.160 18438 107 1 18 "Average Difference" CB 73 0.942 0.058 0.946 18438 108 1 18 "Average Difference" HN 74 0.481 -0.103 0.473 18438 109 1 19 "Average Difference" N 74 2.062 0.238 2.063 18438 110 1 19 "Average Difference" HA 87 0.244 0.038 0.242 18438 111 1 19 "Average Difference" C 79 0.924 -0.060 0.928 18438 112 1 19 "Average Difference" CA 80 1.169 -0.167 1.165 18438 113 1 19 "Average Difference" CB 73 0.767 0.055 0.770 18438 114 1 19 "Average Difference" HN 74 0.473 -0.146 0.453 18438 115 1 20 "Average Difference" N 74 2.598 0.333 2.594 18438 116 1 20 "Average Difference" HA 87 0.239 0.018 0.240 18438 117 1 20 "Average Difference" C 79 0.993 -0.164 0.985 18438 118 1 20 "Average Difference" CA 80 1.136 -0.088 1.140 18438 119 1 20 "Average Difference" CB 73 0.968 -0.048 0.974 18438 120 1 20 "Average Difference" HN 74 0.477 -0.099 0.470 18438 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 18438 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 MET HA H 3 4.270 4.270 4.464 -0.194 18438 2 1 . 1 1 3 3 MET C C 3 175.362 175.362 175.201 0.161 18438 3 1 . 1 1 3 3 MET CA C 3 55.318 55.318 55.548 -0.230 18438 4 1 . 1 1 3 3 MET CB C 3 32.724 32.724 32.960 -0.236 18438 5 1 . 1 1 4 4 GLN N N 4 122.983 122.983 121.502 1.481 18438 6 1 . 1 1 4 4 GLN HA H 4 4.563 4.563 4.569 -0.006 18438 7 1 . 1 1 4 4 GLN C C 4 173.835 173.835 174.463 -0.628 18438 8 1 . 1 1 4 4 GLN CA C 4 53.521 53.521 54.316 -0.795 18438 9 1 . 1 1 4 4 GLN CB C 4 28.765 28.765 28.778 -0.013 18438 10 1 . 1 1 4 4 GLN H H 4 8.267 8.267 8.264 0.003 18438 11 1 . 1 1 5 5 PRO HA H 5 3.968 3.968 4.444 -0.476 18438 12 1 . 1 1 5 5 PRO CA C 5 63.992 63.992 62.886 1.106 18438 13 1 . 1 1 5 5 PRO CB C 5 31.696 31.696 31.508 0.188 18438 14 1 . 1 1 6 6 GLY C C 6 175.512 175.512 174.665 0.847 18438 15 1 . 1 1 6 6 GLY CA C 6 46.036 46.036 44.775 1.261 18438 16 1 . 1 1 7 7 LYS N N 7 121.187 121.187 123.631 -2.444 18438 17 1 . 1 1 7 7 LYS HA H 7 4.152 4.152 4.043 0.109 18438 18 1 . 1 1 7 7 LYS C C 7 179.107 179.107 177.453 1.654 18438 19 1 . 1 1 7 7 LYS CA C 7 57.955 57.955 57.857 0.098 18438 20 1 . 1 1 7 7 LYS CB C 7 31.641 31.641 31.987 -0.346 18438 21 1 . 1 1 7 7 LYS H H 7 7.788 7.788 8.332 -0.544 18438 22 1 . 1 1 8 8 TYR N N 8 119.428 119.428 119.215 0.213 18438 23 1 . 1 1 8 8 TYR HA H 8 4.302 4.302 4.624 -0.322 18438 24 1 . 1 1 8 8 TYR C C 8 177.544 177.544 177.987 -0.443 18438 25 1 . 1 1 8 8 TYR CA C 8 63.600 63.600 61.382 2.219 18438 26 1 . 1 1 8 8 TYR CB C 8 38.170 38.170 38.054 0.115 18438 27 1 . 1 1 8 8 TYR H H 8 8.197 8.197 8.417 -0.220 18438 28 1 . 1 1 9 9 SER N N 9 116.845 116.845 115.186 1.659 18438 29 1 . 1 1 9 9 SER HA H 9 4.241 4.241 4.179 0.062 18438 30 1 . 1 1 9 9 SER C C 9 175.982 175.982 176.643 -0.661 18438 31 1 . 1 1 9 9 SER CA C 9 62.258 62.258 61.891 0.367 18438 32 1 . 1 1 9 9 SER CB C 9 62.254 62.254 62.681 -0.427 18438 33 1 . 1 1 9 9 SER H H 9 8.279 8.279 8.283 -0.004 18438 34 1 . 1 1 10 10 GLN N N 10 120.862 120.862 121.306 -0.444 18438 35 1 . 1 1 10 10 GLN HA H 10 4.086 4.086 4.124 -0.038 18438 36 1 . 1 1 10 10 GLN C C 10 177.779 177.779 178.429 -0.650 18438 37 1 . 1 1 10 10 GLN CA C 10 58.742 58.742 58.382 0.360 18438 38 1 . 1 1 10 10 GLN CB C 10 27.900 27.900 28.495 -0.595 18438 39 1 . 1 1 10 10 GLN H H 10 7.765 7.765 7.849 -0.084 18438 40 1 . 1 1 11 11 LEU N N 11 119.752 119.752 121.588 -1.836 18438 41 1 . 1 1 11 11 LEU HA H 11 4.394 4.394 4.248 0.146 18438 42 1 . 1 1 11 11 LEU C C 11 180.357 180.357 178.814 1.543 18438 43 1 . 1 1 11 11 LEU CA C 11 57.715 57.715 57.757 -0.042 18438 44 1 . 1 1 11 11 LEU CB C 11 41.938 41.938 41.938 0.000 18438 45 1 . 1 1 11 11 LEU H H 11 7.805 7.805 7.944 -0.139 18438 46 1 . 1 1 12 12 VAL N N 12 122.619 122.619 118.924 3.695 18438 47 1 . 1 1 12 12 VAL HA H 12 3.331 3.331 3.538 -0.207 18438 48 1 . 1 1 12 12 VAL C C 12 176.841 176.841 178.006 -1.165 18438 49 1 . 1 1 12 12 VAL CA C 12 68.417 68.417 67.060 1.357 18438 50 1 . 1 1 12 12 VAL CB C 12 31.319 31.319 31.556 -0.236 18438 51 1 . 1 1 12 12 VAL H H 12 8.355 8.355 7.774 0.581 18438 52 1 . 1 1 13 13 VAL N N 13 118.472 118.472 119.696 -1.224 18438 53 1 . 1 1 13 13 VAL HA H 13 3.394 3.394 3.562 -0.168 18438 54 1 . 1 1 13 13 VAL C C 13 177.622 177.622 178.189 -0.567 18438 55 1 . 1 1 13 13 VAL CA C 13 67.767 67.767 66.979 0.788 18438 56 1 . 1 1 13 13 VAL CB C 13 31.904 31.904 31.421 0.483 18438 57 1 . 1 1 13 13 VAL H H 13 7.636 7.636 7.583 0.053 18438 58 1 . 1 1 14 14 GLU N N 14 117.137 117.137 119.061 -1.924 18438 59 1 . 1 1 14 14 GLU HA H 14 4.074 4.074 4.068 0.006 18438 60 1 . 1 1 14 14 GLU C C 14 179.576 179.576 179.213 0.363 18438 61 1 . 1 1 14 14 GLU CA C 14 58.829 58.829 59.512 -0.683 18438 62 1 . 1 1 14 14 GLU CB C 14 29.400 29.400 29.364 0.035 18438 63 1 . 1 1 14 14 GLU H H 14 8.642 8.642 8.114 0.528 18438 64 1 . 1 1 15 15 THR N N 15 116.678 116.678 117.326 -0.648 18438 65 1 . 1 1 15 15 THR HA H 15 3.859 3.859 4.044 -0.185 18438 66 1 . 1 1 15 15 THR C C 15 175.669 175.669 176.561 -0.892 18438 67 1 . 1 1 15 15 THR CA C 15 67.743 67.743 67.335 0.408 18438 68 1 . 1 1 15 15 THR CB C 15 67.761 67.761 68.608 -0.847 18438 69 1 . 1 1 15 15 THR H H 15 8.354 8.354 8.030 0.324 18438 70 1 . 1 1 16 16 ILE N N 16 121.241 121.241 120.976 0.265 18438 71 1 . 1 1 16 16 ILE HA H 16 3.504 3.504 3.765 -0.261 18438 72 1 . 1 1 16 16 ILE C C 16 179.576 179.576 177.795 1.781 18438 73 1 . 1 1 16 16 ILE CA C 16 66.854 66.854 65.111 1.742 18438 74 1 . 1 1 16 16 ILE CB C 16 38.208 38.208 37.578 0.630 18438 75 1 . 1 1 16 16 ILE H H 16 8.342 8.342 8.017 0.325 18438 76 1 . 1 1 17 17 ARG N N 17 120.540 120.540 120.188 0.352 18438 77 1 . 1 1 17 17 ARG HA H 17 3.982 3.982 4.026 -0.044 18438 78 1 . 1 1 17 17 ARG C C 17 178.482 178.482 178.391 0.091 18438 79 1 . 1 1 17 17 ARG CA C 17 59.527 59.527 59.231 0.295 18438 80 1 . 1 1 17 17 ARG CB C 17 30.302 30.302 30.120 0.182 18438 81 1 . 1 1 17 17 ARG H H 17 8.496 8.496 7.706 0.790 18438 82 1 . 1 1 18 18 ARG N N 18 118.955 118.955 118.142 0.813 18438 83 1 . 1 1 18 18 ARG HA H 18 3.990 3.990 4.123 -0.133 18438 84 1 . 1 1 18 18 ARG C C 18 178.794 178.794 178.562 0.232 18438 85 1 . 1 1 18 18 ARG CA C 18 59.015 59.015 58.249 0.766 18438 86 1 . 1 1 18 18 ARG CB C 18 30.111 30.111 30.029 0.082 18438 87 1 . 1 1 18 18 ARG H H 18 8.257 8.257 7.943 0.314 18438 88 1 . 1 1 19 19 LEU N N 19 118.486 118.486 117.178 1.307 18438 89 1 . 1 1 19 19 LEU HA H 19 4.053 4.053 4.237 -0.184 18438 90 1 . 1 1 19 19 LEU C C 19 179.419 179.419 177.968 1.451 18438 91 1 . 1 1 19 19 LEU CA C 19 57.102 57.102 55.667 1.435 18438 92 1 . 1 1 19 19 LEU CB C 19 42.296 42.296 42.431 -0.135 18438 93 1 . 1 1 19 19 LEU H H 19 8.179 8.179 7.835 0.344 18438 94 1 . 1 1 20 20 GLY N N 20 104.303 104.303 106.075 -1.772 18438 95 1 . 1 1 20 20 GLY C C 20 175.200 175.200 174.795 0.405 18438 96 1 . 1 1 20 20 GLY CA C 20 47.485 47.485 45.366 2.119 18438 97 1 . 1 1 20 20 GLY H H 20 7.520 7.520 7.840 -0.320 18438 98 1 . 1 1 21 21 GLU N N 21 118.725 118.725 119.751 -1.026 18438 99 1 . 1 1 21 21 GLU HA H 21 4.220 4.220 4.233 -0.013 18438 100 1 . 1 1 21 21 GLU C C 21 179.280 179.280 176.895 2.385 18438 101 1 . 1 1 21 21 GLU CA C 21 57.569 57.569 56.431 1.138 18438 102 1 . 1 1 21 21 GLU CB C 21 29.980 29.980 29.673 0.307 18438 103 1 . 1 1 21 21 GLU H H 21 8.674 8.674 7.906 0.768 18438 104 1 . 1 1 22 22 ARG HA H 22 4.005 4.005 4.220 -0.215 18438 105 1 . 1 1 22 22 ARG C C 22 177.150 177.150 176.753 0.397 18438 106 1 . 1 1 22 22 ARG CA C 22 59.467 59.467 57.784 1.683 18438 107 1 . 1 1 22 22 ARG CB C 22 29.953 29.953 30.428 -0.475 18438 108 1 . 1 1 23 23 ASN N N 23 114.707 114.707 116.815 -2.108 18438 109 1 . 1 1 23 23 ASN HA H 23 4.998 4.998 4.658 0.340 18438 110 1 . 1 1 23 23 ASN C C 23 174.888 174.888 174.884 0.004 18438 111 1 . 1 1 23 23 ASN CA C 23 51.900 51.900 53.408 -1.508 18438 112 1 . 1 1 23 23 ASN CB C 23 38.504 38.504 39.729 -1.225 18438 113 1 . 1 1 23 23 ASN H H 23 8.662 8.662 8.351 0.311 18438 114 1 . 1 1 24 24 GLY N N 24 104.147 104.147 106.321 -2.174 18438 115 1 . 1 1 24 24 GLY C C 24 172.075 172.075 172.974 -0.899 18438 116 1 . 1 1 24 24 GLY CA C 24 44.700 44.700 44.645 0.055 18438 117 1 . 1 1 24 24 GLY H H 24 7.130 7.130 7.827 -0.697 18438 118 1 . 1 1 25 25 SER N N 25 113.134 113.134 117.445 -4.311 18438 119 1 . 1 1 25 25 SER HA H 25 5.329 5.329 4.805 0.524 18438 120 1 . 1 1 25 25 SER C C 25 173.716 173.716 174.866 -1.150 18438 121 1 . 1 1 25 25 SER CA C 25 57.259 57.259 56.889 0.370 18438 122 1 . 1 1 25 25 SER CB C 25 66.600 66.600 65.011 1.589 18438 123 1 . 1 1 25 25 SER H H 25 8.661 8.661 8.419 0.242 18438 124 1 . 1 1 26 26 SER N N 26 121.159 121.159 121.737 -0.578 18438 125 1 . 1 1 26 26 SER HA H 26 4.962 4.962 4.548 0.414 18438 126 1 . 1 1 26 26 SER C C 26 174.732 174.732 175.918 -1.186 18438 127 1 . 1 1 26 26 SER CA C 26 56.600 56.600 58.265 -1.665 18438 128 1 . 1 1 26 26 SER CB C 26 65.369 65.369 63.973 1.396 18438 129 1 . 1 1 26 26 SER H H 26 8.841 8.841 8.839 0.002 18438 130 1 . 1 1 27 27 LEU N N 27 121.372 121.372 125.109 -3.737 18438 131 1 . 1 1 27 27 LEU HA H 27 4.105 4.105 4.217 -0.113 18438 132 1 . 1 1 27 27 LEU C C 27 177.935 177.935 177.994 -0.059 18438 133 1 . 1 1 27 27 LEU CA C 27 58.827 58.827 58.137 0.690 18438 134 1 . 1 1 27 27 LEU CB C 27 40.941 40.941 41.919 -0.978 18438 135 1 . 1 1 27 27 LEU H H 27 9.303 9.303 8.742 0.561 18438 136 1 . 1 1 28 28 ALA N N 28 119.606 119.606 120.439 -0.833 18438 137 1 . 1 1 28 28 ALA HA H 28 4.162 4.162 4.062 0.100 18438 138 1 . 1 1 28 28 ALA C C 28 180.279 180.279 179.467 0.812 18438 139 1 . 1 1 28 28 ALA CA C 28 55.725 55.725 55.171 0.554 18438 140 1 . 1 1 28 28 ALA CB C 28 18.247 18.247 18.087 0.160 18438 141 1 . 1 1 28 28 ALA H H 28 8.509 8.509 8.082 0.427 18438 142 1 . 1 1 29 29 LYS N N 29 120.138 120.138 119.522 0.616 18438 143 1 . 1 1 29 29 LYS HA H 29 4.129 4.129 4.148 -0.019 18438 144 1 . 1 1 29 29 LYS C C 29 178.950 178.950 178.907 0.043 18438 145 1 . 1 1 29 29 LYS CA C 29 58.585 58.585 58.418 0.167 18438 146 1 . 1 1 29 29 LYS CB C 29 32.483 32.483 32.072 0.411 18438 147 1 . 1 1 29 29 LYS H H 29 7.873 7.873 7.646 0.227 18438 148 1 . 1 1 30 30 ILE N N 30 119.535 119.535 119.738 -0.203 18438 149 1 . 1 1 30 30 ILE HA H 30 3.505 3.505 3.693 -0.188 18438 150 1 . 1 1 30 30 ILE C C 30 177.466 177.466 177.620 -0.154 18438 151 1 . 1 1 30 30 ILE CA C 30 65.361 65.361 65.393 -0.031 18438 152 1 . 1 1 30 30 ILE CB C 30 38.622 38.622 38.153 0.469 18438 153 1 . 1 1 30 30 ILE H H 30 8.505 8.505 8.299 0.206 18438 154 1 . 1 1 31 31 TYR N N 31 119.439 119.439 120.772 -1.333 18438 155 1 . 1 1 31 31 TYR HA H 31 3.968 3.968 4.023 -0.055 18438 156 1 . 1 1 31 31 TYR C C 31 175.513 175.513 177.428 -1.915 18438 157 1 . 1 1 31 31 TYR CA C 31 60.900 60.900 62.129 -1.229 18438 158 1 . 1 1 31 31 TYR CB C 31 37.939 37.939 38.310 -0.371 18438 159 1 . 1 1 31 31 TYR H H 31 9.231 9.231 8.137 1.094 18438 160 1 . 1 1 32 32 THR N N 32 113.378 113.378 114.066 -0.689 18438 161 1 . 1 1 32 32 THR HA H 32 3.314 3.314 3.863 -0.549 18438 162 1 . 1 1 32 32 THR C C 32 175.435 175.435 175.966 -0.531 18438 163 1 . 1 1 32 32 THR CA C 32 66.900 66.900 66.337 0.563 18438 164 1 . 1 1 32 32 THR CB C 32 68.631 68.631 68.522 0.110 18438 165 1 . 1 1 32 32 THR H H 32 7.936 7.936 7.861 0.075 18438 166 1 . 1 1 33 33 GLU N N 33 117.565 117.565 118.795 -1.230 18438 167 1 . 1 1 33 33 GLU HA H 33 4.050 4.050 4.237 -0.188 18438 168 1 . 1 1 33 33 GLU C C 33 178.716 178.716 178.118 0.598 18438 169 1 . 1 1 33 33 GLU CA C 33 57.200 57.200 57.841 -0.641 18438 170 1 . 1 1 33 33 GLU CB C 33 29.963 29.963 29.404 0.559 18438 171 1 . 1 1 33 33 GLU H H 33 7.359 7.359 7.642 -0.283 18438 172 1 . 1 1 34 34 ALA N N 34 124.323 124.323 122.116 2.207 18438 173 1 . 1 1 34 34 ALA HA H 34 3.629 3.629 3.929 -0.300 18438 174 1 . 1 1 34 34 ALA C C 34 177.232 177.232 177.946 -0.714 18438 175 1 . 1 1 34 34 ALA CA C 34 54.654 54.654 54.031 0.623 18438 176 1 . 1 1 34 34 ALA CB C 34 18.291 18.291 18.645 -0.354 18438 177 1 . 1 1 34 34 ALA H H 34 8.940 8.940 7.603 1.337 18438 178 1 . 1 1 35 35 LYS N N 35 110.920 110.920 114.653 -3.733 18438 179 1 . 1 1 35 35 LYS HA H 35 2.779 2.779 3.127 -0.348 18438 180 1 . 1 1 35 35 LYS C C 35 176.060 176.060 176.982 -0.922 18438 181 1 . 1 1 35 35 LYS CA C 35 56.704 56.704 57.108 -0.404 18438 182 1 . 1 1 35 35 LYS CB C 35 30.798 30.798 31.448 -0.650 18438 183 1 . 1 1 35 35 LYS H H 35 7.277 7.277 7.370 -0.092 18438 184 1 . 1 1 36 36 LYS N N 36 116.850 116.850 118.543 -1.693 18438 185 1 . 1 1 36 36 LYS HA H 36 3.920 3.920 4.135 -0.214 18438 186 1 . 1 1 36 36 LYS C C 36 177.544 177.544 176.407 1.137 18438 187 1 . 1 1 36 36 LYS CA C 36 56.783 56.783 56.608 0.175 18438 188 1 . 1 1 36 36 LYS CB C 36 33.044 33.044 32.445 0.599 18438 189 1 . 1 1 36 36 LYS H H 36 6.808 6.808 7.287 -0.479 18438 190 1 . 1 1 37 37 VAL N N 37 120.331 120.331 118.449 1.882 18438 191 1 . 1 1 37 37 VAL HA H 37 4.144 4.144 4.224 -0.081 18438 192 1 . 1 1 37 37 VAL C C 37 177.134 177.134 175.515 1.619 18438 193 1 . 1 1 37 37 VAL CA C 37 60.228 60.228 58.915 1.313 18438 194 1 . 1 1 37 37 VAL CB C 37 31.061 31.061 31.028 0.033 18438 195 1 . 1 1 37 37 VAL H H 37 7.413 7.413 7.132 0.281 18438 196 1 . 1 1 38 38 PRO HA H 38 4.306 4.306 4.375 -0.069 18438 197 1 . 1 1 38 38 PRO C C 38 176.763 176.763 176.725 0.038 18438 198 1 . 1 1 38 38 PRO CA C 38 65.420 65.420 64.672 0.748 18438 199 1 . 1 1 38 38 PRO CB C 38 31.961 31.961 32.021 -0.060 18438 200 1 . 1 1 39 39 TRP N N 39 110.211 110.211 116.024 -5.813 18438 201 1 . 1 1 39 39 TRP HA H 39 4.724 4.724 4.696 0.028 18438 202 1 . 1 1 39 39 TRP C C 39 176.216 176.216 175.785 0.431 18438 203 1 . 1 1 39 39 TRP CA C 39 53.500 53.500 55.029 -1.529 18438 204 1 . 1 1 39 39 TRP CB C 39 28.927 28.927 28.831 0.096 18438 205 1 . 1 1 39 39 TRP H H 39 6.356 6.356 7.472 -1.116 18438 206 1 . 1 1 40 40 PHE N N 40 124.624 124.624 123.432 1.192 18438 207 1 . 1 1 40 40 PHE HA H 40 3.696 3.696 4.118 -0.422 18438 208 1 . 1 1 40 40 PHE C C 40 174.966 174.966 174.979 -0.013 18438 209 1 . 1 1 40 40 PHE CA C 40 60.208 60.208 58.562 1.646 18438 210 1 . 1 1 40 40 PHE CB C 40 39.778 39.778 39.492 0.286 18438 211 1 . 1 1 40 40 PHE H H 40 7.282 7.282 6.972 0.309 18438 212 1 . 1 1 41 41 ASP N N 41 127.204 127.204 127.212 -0.008 18438 213 1 . 1 1 41 41 ASP HA H 41 4.642 4.642 4.699 -0.057 18438 214 1 . 1 1 41 41 ASP C C 41 175.904 175.904 176.264 -0.360 18438 215 1 . 1 1 41 41 ASP CA C 41 53.329 53.329 53.247 0.082 18438 216 1 . 1 1 41 41 ASP CB C 41 41.280 41.280 42.588 -1.308 18438 217 1 . 1 1 41 41 ASP H H 41 7.038 7.038 8.043 -1.005 18438 218 1 . 1 1 42 42 GLN N N 42 125.531 125.531 123.935 1.596 18438 219 1 . 1 1 42 42 GLN HA H 42 4.177 4.177 4.426 -0.249 18438 220 1 . 1 1 42 42 GLN C C 42 178.169 178.169 176.967 1.202 18438 221 1 . 1 1 42 42 GLN CA C 42 57.959 57.959 57.593 0.366 18438 222 1 . 1 1 42 42 GLN CB C 42 27.522 27.522 28.618 -1.096 18438 223 1 . 1 1 42 42 GLN H H 42 9.072 9.072 8.827 0.245 18438 224 1 . 1 1 43 43 GLN N N 43 118.221 118.221 118.649 -0.428 18438 225 1 . 1 1 43 43 GLN HA H 43 4.327 4.327 4.321 0.006 18438 226 1 . 1 1 43 43 GLN C C 43 177.154 177.154 177.554 -0.400 18438 227 1 . 1 1 43 43 GLN CA C 43 58.141 58.141 57.423 0.718 18438 228 1 . 1 1 43 43 GLN CB C 43 29.254 29.254 29.535 -0.281 18438 229 1 . 1 1 43 43 GLN H H 43 8.356 8.356 7.890 0.466 18438 230 1 . 1 1 44 44 ASN N N 44 115.402 115.402 116.975 -1.573 18438 231 1 . 1 1 44 44 ASN HA H 44 4.731 4.731 4.469 0.262 18438 232 1 . 1 1 44 44 ASN C C 44 175.200 175.200 176.555 -1.355 18438 233 1 . 1 1 44 44 ASN CA C 44 52.600 52.600 54.107 -1.507 18438 234 1 . 1 1 44 44 ASN CB C 44 41.059 41.059 38.853 2.206 18438 235 1 . 1 1 44 44 ASN H H 44 8.163 8.163 8.302 -0.139 18438 236 1 . 1 1 45 45 GLY N N 45 109.680 109.680 108.796 0.884 18438 237 1 . 1 1 45 45 GLY C C 45 175.200 175.200 175.623 -0.423 18438 238 1 . 1 1 45 45 GLY CA C 45 48.200 48.200 46.446 1.754 18438 239 1 . 1 1 45 45 GLY H H 45 8.094 8.094 7.960 0.134 18438 240 1 . 1 1 46 46 ARG N N 46 121.367 121.367 120.606 0.761 18438 241 1 . 1 1 46 46 ARG HA H 46 3.889 3.889 4.373 -0.484 18438 242 1 . 1 1 46 46 ARG C C 46 178.091 178.091 178.068 0.023 18438 243 1 . 1 1 46 46 ARG CA C 46 60.870 60.870 59.533 1.337 18438 244 1 . 1 1 46 46 ARG CB C 46 29.283 29.283 29.608 -0.325 18438 245 1 . 1 1 46 46 ARG H H 46 8.893 8.893 8.101 0.792 18438 246 1 . 1 1 47 47 THR N N 47 116.630 116.630 116.605 0.025 18438 247 1 . 1 1 47 47 THR HA H 47 3.668 3.668 4.092 -0.424 18438 248 1 . 1 1 47 47 THR C C 47 176.060 176.060 176.962 -0.902 18438 249 1 . 1 1 47 47 THR CA C 47 66.345 66.345 67.059 -0.714 18438 250 1 . 1 1 47 47 THR CB C 47 67.794 67.794 68.268 -0.474 18438 251 1 . 1 1 47 47 THR H H 47 7.397 7.397 7.527 -0.130 18438 252 1 . 1 1 48 48 TYR N N 48 120.826 120.826 120.738 0.088 18438 253 1 . 1 1 48 48 TYR HA H 48 4.413 4.413 4.239 0.174 18438 254 1 . 1 1 48 48 TYR C C 48 180.279 180.279 178.147 2.132 18438 255 1 . 1 1 48 48 TYR CA C 48 57.920 57.920 59.599 -1.679 18438 256 1 . 1 1 48 48 TYR CB C 48 35.100 35.100 36.891 -1.791 18438 257 1 . 1 1 48 48 TYR H H 48 7.529 7.529 7.596 -0.067 18438 258 1 . 1 1 49 49 LEU N N 49 120.670 120.670 120.224 0.446 18438 259 1 . 1 1 49 49 LEU HA H 49 4.063 4.063 4.110 -0.047 18438 260 1 . 1 1 49 49 LEU C C 49 178.091 178.091 179.047 -0.956 18438 261 1 . 1 1 49 49 LEU CA C 49 58.259 58.259 57.852 0.407 18438 262 1 . 1 1 49 49 LEU CB C 49 42.259 42.259 41.803 0.456 18438 263 1 . 1 1 49 49 LEU H H 49 8.847 8.847 8.502 0.345 18438 264 1 . 1 1 50 50 LYS N N 50 119.596 119.596 119.759 -0.163 18438 265 1 . 1 1 50 50 LYS HA H 50 3.770 3.770 3.861 -0.091 18438 266 1 . 1 1 50 50 LYS C C 50 179.263 179.263 179.225 0.038 18438 267 1 . 1 1 50 50 LYS CA C 50 60.637 60.637 59.505 1.132 18438 268 1 . 1 1 50 50 LYS CB C 50 31.998 31.998 32.176 -0.178 18438 269 1 . 1 1 50 50 LYS H H 50 8.001 8.001 7.877 0.124 18438 270 1 . 1 1 51 51 TYR N N 51 118.606 118.606 118.756 -0.150 18438 271 1 . 1 1 51 51 TYR HA H 51 4.299 4.299 4.322 -0.023 18438 272 1 . 1 1 51 51 TYR C C 51 179.107 179.107 178.203 0.904 18438 273 1 . 1 1 51 51 TYR CA C 51 60.238 60.238 61.407 -1.169 18438 274 1 . 1 1 51 51 TYR CB C 51 37.337 37.337 38.627 -1.290 18438 275 1 . 1 1 51 51 TYR H H 51 8.274 8.274 8.274 0.000 18438 276 1 . 1 1 52 52 SER N N 52 117.699 117.699 116.826 0.873 18438 277 1 . 1 1 52 52 SER HA H 52 4.227 4.227 4.187 0.040 18438 278 1 . 1 1 52 52 SER C C 52 175.669 175.669 176.697 -1.028 18438 279 1 . 1 1 52 52 SER CA C 52 63.312 63.312 62.440 0.872 18438 280 1 . 1 1 52 52 SER CB C 52 63.520 63.520 63.114 0.406 18438 281 1 . 1 1 52 52 SER H H 52 8.303 8.303 8.107 0.196 18438 282 1 . 1 1 53 53 ILE N N 53 121.571 121.571 122.758 -1.187 18438 283 1 . 1 1 53 53 ILE HA H 53 3.281 3.281 3.495 -0.214 18438 284 1 . 1 1 53 53 ILE C C 53 176.685 176.685 177.302 -0.617 18438 285 1 . 1 1 53 53 ILE CA C 53 66.039 66.039 65.570 0.469 18438 286 1 . 1 1 53 53 ILE CB C 53 37.522 37.522 37.402 0.120 18438 287 1 . 1 1 53 53 ILE H H 53 8.543 8.543 8.376 0.167 18438 288 1 . 1 1 54 54 LYS N N 54 117.799 117.799 119.931 -2.132 18438 289 1 . 1 1 54 54 LYS HA H 54 3.877 3.877 3.845 0.032 18438 290 1 . 1 1 54 54 LYS C C 54 179.107 179.107 178.828 0.279 18438 291 1 . 1 1 54 54 LYS CA C 54 59.852 59.852 59.576 0.276 18438 292 1 . 1 1 54 54 LYS CB C 54 32.014 32.014 32.191 -0.177 18438 293 1 . 1 1 54 54 LYS H H 54 7.572 7.572 7.661 -0.089 18438 294 1 . 1 1 55 55 ALA N N 55 121.284 121.284 121.679 -0.395 18438 295 1 . 1 1 55 55 ALA HA H 55 4.115 4.115 4.179 -0.064 18438 296 1 . 1 1 55 55 ALA C C 55 180.201 180.201 180.005 0.196 18438 297 1 . 1 1 55 55 ALA CA C 55 54.997 54.997 54.938 0.059 18438 298 1 . 1 1 55 55 ALA CB C 55 17.920 17.920 18.370 -0.450 18438 299 1 . 1 1 55 55 ALA H H 55 7.669 7.669 7.921 -0.252 18438 300 1 . 1 1 56 56 LEU N N 56 119.236 119.236 118.610 0.626 18438 301 1 . 1 1 56 56 LEU HA H 56 4.420 4.420 4.083 0.337 18438 302 1 . 1 1 56 56 LEU C C 56 179.966 179.966 178.825 1.141 18438 303 1 . 1 1 56 56 LEU CA C 56 56.094 56.094 57.286 -1.192 18438 304 1 . 1 1 56 56 LEU CB C 56 42.361 42.361 41.790 0.571 18438 305 1 . 1 1 56 56 LEU H H 56 8.302 8.302 7.917 0.385 18438 306 1 . 1 1 57 57 VAL N N 57 122.357 122.357 119.508 2.849 18438 307 1 . 1 1 57 57 VAL HA H 57 4.367 4.367 3.985 0.382 18438 308 1 . 1 1 57 57 VAL C C 57 180.669 180.669 178.801 1.868 18438 309 1 . 1 1 57 57 VAL CA C 57 65.106 65.106 65.998 -0.892 18438 310 1 . 1 1 57 57 VAL CB C 57 32.006 32.006 31.542 0.464 18438 311 1 . 1 1 57 57 VAL H H 57 8.555 8.555 8.148 0.407 18438 312 1 . 1 1 58 58 GLN N N 58 120.472 120.472 119.251 1.221 18438 313 1 . 1 1 58 58 GLN HA H 58 4.125 4.125 4.106 0.019 18438 314 1 . 1 1 58 58 GLN C C 58 177.154 177.154 177.316 -0.162 18438 315 1 . 1 1 58 58 GLN CA C 58 58.820 58.820 58.450 0.370 18438 316 1 . 1 1 58 58 GLN CB C 58 28.200 28.200 28.733 -0.533 18438 317 1 . 1 1 58 58 GLN H H 58 8.078 8.078 7.813 0.265 18438 318 1 . 1 1 59 59 ASN N N 59 114.176 114.176 115.832 -1.656 18438 319 1 . 1 1 59 59 ASN HA H 59 4.879 4.879 4.802 0.077 18438 320 1 . 1 1 59 59 ASN C C 59 175.122 175.122 174.287 0.835 18438 321 1 . 1 1 59 59 ASN CA C 59 51.580 51.580 53.682 -2.102 18438 322 1 . 1 1 59 59 ASN CB C 59 37.696 37.696 38.870 -1.174 18438 323 1 . 1 1 59 59 ASN H H 59 7.704 7.704 7.812 -0.108 18438 324 1 . 1 1 60 60 ASP N N 60 113.376 113.376 114.847 -1.471 18438 325 1 . 1 1 60 60 ASP HA H 60 4.463 4.463 4.371 0.092 18438 326 1 . 1 1 60 60 ASP C C 60 175.279 175.279 176.276 -0.997 18438 327 1 . 1 1 60 60 ASP CA C 60 56.072 56.072 55.841 0.231 18438 328 1 . 1 1 60 60 ASP CB C 60 39.909 39.909 38.987 0.921 18438 329 1 . 1 1 60 60 ASP H H 60 7.900 7.900 7.696 0.204 18438 330 1 . 1 1 61 61 THR N N 61 117.382 117.382 112.145 5.237 18438 331 1 . 1 1 61 61 THR HA H 61 4.097 4.097 4.238 -0.141 18438 332 1 . 1 1 61 61 THR C C 61 174.966 174.966 174.246 0.720 18438 333 1 . 1 1 61 61 THR CA C 61 67.141 67.141 65.684 1.457 18438 334 1 . 1 1 61 61 THR CB C 61 68.143 68.143 69.819 -1.676 18438 335 1 . 1 1 61 61 THR H H 61 8.776 8.776 8.263 0.513 18438 336 1 . 1 1 62 62 LEU N N 62 118.406 118.406 119.962 -1.556 18438 337 1 . 1 1 62 62 LEU HA H 62 5.163 5.163 5.258 -0.095 18438 338 1 . 1 1 62 62 LEU C C 62 175.122 175.122 175.643 -0.521 18438 339 1 . 1 1 62 62 LEU CA C 62 51.841 51.841 53.324 -1.483 18438 340 1 . 1 1 62 62 LEU CB C 62 45.465 45.465 45.540 -0.075 18438 341 1 . 1 1 62 62 LEU H H 62 7.653 7.653 7.584 0.069 18438 342 1 . 1 1 63 63 LEU N N 63 119.075 119.075 121.597 -2.522 18438 343 1 . 1 1 63 63 LEU HA H 63 4.650 4.650 4.762 -0.112 18438 344 1 . 1 1 63 63 LEU C C 63 175.904 175.904 175.765 0.139 18438 345 1 . 1 1 63 63 LEU CA C 63 53.024 53.024 53.737 -0.713 18438 346 1 . 1 1 63 63 LEU CB C 63 44.041 44.041 44.058 -0.017 18438 347 1 . 1 1 63 63 LEU H H 63 9.145 9.145 8.697 0.448 18438 348 1 . 1 1 64 64 GLN N N 64 123.978 123.978 124.438 -0.460 18438 349 1 . 1 1 64 64 GLN HA H 64 4.576 4.576 4.582 -0.006 18438 350 1 . 1 1 64 64 GLN C C 64 175.435 175.435 175.347 0.088 18438 351 1 . 1 1 64 64 GLN CA C 64 55.026 55.026 55.607 -0.581 18438 352 1 . 1 1 64 64 GLN CB C 64 29.256 29.256 28.823 0.433 18438 353 1 . 1 1 64 64 GLN H H 64 8.995 8.995 8.791 0.204 18438 354 1 . 1 1 65 65 VAL N N 65 126.750 126.750 127.525 -0.774 18438 355 1 . 1 1 65 65 VAL HA H 65 4.025 4.025 4.189 -0.164 18438 356 1 . 1 1 65 65 VAL C C 65 175.747 175.747 174.719 1.028 18438 357 1 . 1 1 65 65 VAL CA C 65 61.920 61.920 61.743 0.176 18438 358 1 . 1 1 65 65 VAL CB C 65 32.502 32.502 31.817 0.685 18438 359 1 . 1 1 65 65 VAL H H 65 8.520 8.520 8.652 -0.133 18438 360 1 . 1 1 66 66 LYS N N 66 124.150 124.150 123.599 0.551 18438 361 1 . 1 1 66 66 LYS HA H 66 4.212 4.212 4.404 -0.192 18438 362 1 . 1 1 66 66 LYS C C 66 176.607 176.607 177.074 -0.467 18438 363 1 . 1 1 66 66 LYS CA C 66 56.776 56.776 55.878 0.898 18438 364 1 . 1 1 66 66 LYS CB C 66 33.019 33.019 32.888 0.132 18438 365 1 . 1 1 66 66 LYS H H 66 8.311 8.311 8.038 0.273 18438 366 1 . 1 1 67 67 GLY N N 67 109.952 109.952 110.393 -0.441 18438 367 1 . 1 1 67 67 GLY C C 67 173.716 173.716 174.769 -1.053 18438 368 1 . 1 1 67 67 GLY CA C 67 44.902 44.902 45.732 -0.830 18438 369 1 . 1 1 67 67 GLY H H 67 8.401 8.401 8.520 -0.119 18438 370 1 . 1 1 68 68 THR N N 68 111.619 111.619 116.049 -4.430 18438 371 1 . 1 1 68 68 THR HA H 68 4.399 4.399 4.324 0.075 18438 372 1 . 1 1 68 68 THR C C 68 175.279 175.279 175.236 0.043 18438 373 1 . 1 1 68 68 THR CA C 68 61.243 61.243 62.222 -0.979 18438 374 1 . 1 1 68 68 THR CB C 68 69.860 69.860 69.051 0.809 18438 375 1 . 1 1 68 68 THR H H 68 8.032 8.032 7.875 0.158 18438 376 1 . 1 1 69 69 GLY N N 69 111.951 111.951 110.261 1.690 18438 377 1 . 1 1 69 69 GLY C C 69 174.572 174.572 173.522 1.050 18438 378 1 . 1 1 69 69 GLY CA C 69 45.580 45.580 45.073 0.507 18438 379 1 . 1 1 69 69 GLY H H 69 8.581 8.581 8.070 0.511 18438 380 1 . 1 1 70 70 ALA HA H 70 4.302 4.302 4.326 -0.024 18438 381 1 . 1 1 70 70 ALA C C 70 177.774 177.774 176.622 1.152 18438 382 1 . 1 1 70 70 ALA CA C 70 53.061 53.061 52.280 0.781 18438 383 1 . 1 1 70 70 ALA CB C 70 18.921 18.921 19.189 -0.268 18438 384 1 . 1 1 71 71 ASN N N 71 115.782 115.782 118.365 -2.583 18438 385 1 . 1 1 71 71 ASN HA H 71 4.880 4.880 4.640 0.240 18438 386 1 . 1 1 71 71 ASN C C 71 174.966 174.966 175.033 -0.067 18438 387 1 . 1 1 71 71 ASN CA C 71 52.744 52.744 53.572 -0.828 18438 388 1 . 1 1 71 71 ASN CB C 71 39.217 39.217 39.255 -0.038 18438 389 1 . 1 1 71 71 ASN H H 71 8.151 8.151 8.283 -0.132 18438 390 1 . 1 1 72 72 GLY N N 72 107.783 107.783 108.607 -0.824 18438 391 1 . 1 1 72 72 GLY C C 72 172.700 172.700 173.027 -0.327 18438 392 1 . 1 1 72 72 GLY CA C 72 44.902 44.902 44.759 0.143 18438 393 1 . 1 1 72 72 GLY H H 72 8.051 8.051 8.068 -0.017 18438 394 1 . 1 1 73 73 SER N N 73 114.063 114.063 119.147 -5.084 18438 395 1 . 1 1 73 73 SER HA H 73 4.484 4.484 4.669 -0.185 18438 396 1 . 1 1 73 73 SER C C 73 172.480 172.480 172.782 -0.302 18438 397 1 . 1 1 73 73 SER CA C 73 56.717 56.717 57.608 -0.891 18438 398 1 . 1 1 73 73 SER CB C 73 65.043 65.043 64.831 0.212 18438 399 1 . 1 1 73 73 SER H H 73 7.761 7.761 7.940 -0.179 18438 400 1 . 1 1 74 74 PHE N N 74 119.449 119.449 120.149 -0.700 18438 401 1 . 1 1 74 74 PHE HA H 74 5.482 5.482 5.613 -0.131 18438 402 1 . 1 1 74 74 PHE C C 74 174.185 174.185 175.088 -0.903 18438 403 1 . 1 1 74 74 PHE CA C 74 57.461 57.461 56.581 0.880 18438 404 1 . 1 1 74 74 PHE CB C 74 43.011 43.011 43.273 -0.262 18438 405 1 . 1 1 74 74 PHE H H 74 8.489 8.489 8.606 -0.117 18438 406 1 . 1 1 75 75 LYS N N 75 119.294 119.294 120.225 -0.931 18438 407 1 . 1 1 75 75 LYS HA H 75 4.959 4.959 4.847 0.112 18438 408 1 . 1 1 75 75 LYS C C 75 175.669 175.669 174.624 1.045 18438 409 1 . 1 1 75 75 LYS CA C 75 53.404 53.404 54.382 -0.978 18438 410 1 . 1 1 75 75 LYS CB C 75 37.239 37.239 36.190 1.049 18438 411 1 . 1 1 75 75 LYS H H 75 8.894 8.894 8.477 0.417 18438 412 1 . 1 1 76 76 LEU N N 76 121.201 121.201 121.083 0.118 18438 413 1 . 1 1 76 76 LEU HA H 76 4.372 4.372 4.496 -0.124 18438 414 1 . 1 1 76 76 LEU C C 76 177.075 177.075 177.193 -0.118 18438 415 1 . 1 1 76 76 LEU CA C 76 55.778 55.778 55.105 0.673 18438 416 1 . 1 1 76 76 LEU CB C 76 41.641 41.641 42.156 -0.515 18438 417 1 . 1 1 76 76 LEU H H 76 9.023 9.023 8.650 0.373 18438 418 1 . 1 1 77 77 ASN N N 77 120.222 120.222 122.285 -2.063 18438 419 1 . 1 1 77 77 ASN HA H 77 4.673 4.673 4.726 -0.053 18438 420 1 . 1 1 77 77 ASN C C 77 175.669 175.669 175.711 -0.042 18438 421 1 . 1 1 77 77 ASN CA C 77 51.802 51.802 53.403 -1.601 18438 422 1 . 1 1 77 77 ASN CB C 77 37.863 37.863 39.106 -1.243 18438 423 1 . 1 1 77 77 ASN H H 77 8.333 8.333 8.494 -0.161 18438 424 1 . 1 1 78 78 ARG N N 78 125.225 125.225 122.528 2.697 18438 425 1 . 1 1 78 78 ARG HA H 78 4.213 4.213 4.253 -0.040 18438 426 1 . 1 1 78 78 ARG C C 78 176.607 176.607 176.425 0.182 18438 427 1 . 1 1 78 78 ARG CA C 78 57.376 57.376 57.274 0.102 18438 428 1 . 1 1 78 78 ARG CB C 78 30.041 30.041 30.375 -0.334 18438 429 1 . 1 1 78 78 ARG H H 78 8.373 8.373 8.370 0.003 18438 430 1 . 1 1 79 79 LYS N N 79 119.831 119.831 119.689 0.142 18438 431 1 . 1 1 79 79 LYS HA H 79 4.205 4.205 4.353 -0.148 18438 432 1 . 1 1 79 79 LYS C C 79 177.075 177.075 176.568 0.507 18438 433 1 . 1 1 79 79 LYS CA C 79 57.143 57.143 56.251 0.892 18438 434 1 . 1 1 79 79 LYS CB C 79 32.341 32.341 31.954 0.387 18438 435 1 . 1 1 79 79 LYS H H 79 8.095 8.095 8.260 -0.165 18438 436 1 . 1 1 80 80 LYS N N 80 119.767 119.767 120.154 -0.387 18438 437 1 . 1 1 80 80 LYS HA H 80 4.304 4.304 4.184 0.120 18438 438 1 . 1 1 80 80 LYS C C 80 176.607 176.607 177.531 -0.924 18438 439 1 . 1 1 80 80 LYS CA C 80 56.085 56.085 57.760 -1.675 18438 440 1 . 1 1 80 80 LYS CB C 80 33.017 33.017 31.845 1.172 18438 441 1 . 1 1 80 80 LYS H H 80 7.671 7.671 8.119 -0.448 18438 442 1 . 1 1 81 81 LEU N N 81 121.868 121.868 119.368 2.500 18438 443 1 . 1 1 81 81 LEU HA H 81 4.357 4.357 4.080 0.277 18438 444 1 . 1 1 81 81 LEU C C 81 177.214 177.214 178.005 -0.791 18438 445 1 . 1 1 81 81 LEU CA C 81 55.371 55.371 57.227 -1.856 18438 446 1 . 1 1 81 81 LEU CB C 81 42.487 42.487 42.076 0.411 18438 447 1 . 1 1 81 81 LEU H H 81 7.996 7.996 7.963 0.033 18438 448 1 . 1 1 82 82 GLU N N 82 120.499 120.499 116.185 4.314 18438 449 1 . 1 1 82 82 GLU HA H 82 4.342 4.342 4.301 0.041 18438 450 1 . 1 1 82 82 GLU C C 82 175.875 175.875 176.917 -1.042 18438 451 1 . 1 1 82 82 GLU CA C 82 56.331 56.331 56.493 -0.162 18438 452 1 . 1 1 82 82 GLU CB C 82 30.322 30.322 29.836 0.486 18438 453 1 . 1 1 82 82 GLU H H 82 8.262 8.262 8.066 0.196 18438 stop_ save_