data_18214 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18214 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 18214 _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 ARG HA H 3 4.286 4.286 4.410 -0.124 18214 2 1 1 . 1 1 3 3 ARG C C 3 176.261 176.261 175.654 0.607 18214 3 1 1 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.999 0.231 18214 4 1 1 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.807 -0.047 18214 5 1 1 . 1 1 4 4 MET N N 4 121.127 121.127 121.547 -0.420 18214 6 1 1 . 1 1 4 4 MET HA H 4 4.392 4.392 4.697 -0.305 18214 7 1 1 . 1 1 4 4 MET C C 4 175.779 175.779 175.937 -0.158 18214 8 1 1 . 1 1 4 4 MET CA C 4 55.440 55.440 54.910 0.530 18214 9 1 1 . 1 1 4 4 MET CB C 4 32.820 32.820 33.480 -0.660 18214 10 1 1 . 1 1 4 4 MET H H 4 8.318 8.318 8.350 -0.032 18214 11 1 1 . 1 1 5 5 ASP N N 5 121.087 121.087 124.887 -3.800 18214 12 1 1 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.547 -0.025 18214 13 1 1 . 1 1 5 5 ASP C C 5 175.850 175.850 175.784 0.066 18214 14 1 1 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.621 -0.401 18214 15 1 1 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.126 0.074 18214 16 1 1 . 1 1 5 5 ASP H H 5 8.247 8.247 8.518 -0.271 18214 17 1 1 . 1 1 6 6 ASN N N 6 119.267 119.267 124.008 -4.741 18214 18 1 1 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.618 0.046 18214 19 1 1 . 1 1 6 6 ASN C C 6 175.478 175.478 175.331 0.147 18214 20 1 1 . 1 1 6 6 ASN CA C 6 53.370 53.370 52.934 0.437 18214 21 1 1 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.931 -0.411 18214 22 1 1 . 1 1 6 6 ASN H H 6 8.320 8.320 8.481 -0.161 18214 23 1 1 . 1 1 7 7 THR N N 7 114.228 114.228 112.173 2.055 18214 24 1 1 . 1 1 7 7 THR HA H 7 4.179 4.179 4.112 0.067 18214 25 1 1 . 1 1 7 7 THR C C 7 174.476 174.476 173.042 1.434 18214 26 1 1 . 1 1 7 7 THR CA C 7 62.340 62.340 63.244 -0.904 18214 27 1 1 . 1 1 7 7 THR CB C 7 69.650 69.650 68.510 1.140 18214 28 1 1 . 1 1 7 7 THR H H 7 8.111 8.111 8.844 -0.733 18214 29 1 1 . 1 1 8 8 GLU N N 8 122.962 122.962 122.820 0.142 18214 30 1 1 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.907 -0.684 18214 31 1 1 . 1 1 8 8 GLU C C 8 176.020 176.020 175.254 0.766 18214 32 1 1 . 1 1 8 8 GLU CA C 8 56.230 56.230 54.925 1.305 18214 33 1 1 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.998 -0.738 18214 34 1 1 . 1 1 8 8 GLU H H 8 8.256 8.256 8.324 -0.068 18214 35 1 1 . 1 1 9 9 LEU N N 9 124.766 124.766 123.197 1.569 18214 36 1 1 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.508 -0.025 18214 37 1 1 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.812 -0.642 18214 38 1 1 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.408 0.182 18214 39 1 1 . 1 1 9 9 LEU H H 9 8.130 8.130 8.237 -0.107 18214 40 1 1 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.324 -0.032 18214 41 1 1 . 1 1 10 10 PRO C C 10 176.337 176.337 176.285 0.052 18214 42 1 1 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.513 0.337 18214 43 1 1 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.388 -0.468 18214 44 1 1 . 1 1 11 11 HIS N N 11 120.147 120.147 117.475 2.672 18214 45 1 1 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.586 0.239 18214 46 1 1 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.945 -1.515 18214 47 1 1 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.258 0.112 18214 48 1 1 . 1 1 11 11 HIS H H 11 8.329 8.329 8.193 0.136 18214 49 1 1 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.362 -0.035 18214 50 1 1 . 1 1 12 12 PRO C C 12 176.731 176.731 176.267 0.464 18214 51 1 1 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.748 -0.558 18214 52 1 1 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.275 -0.165 18214 53 1 1 . 1 1 13 13 LYS N N 13 121.927 121.927 123.853 -1.926 18214 54 1 1 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.410 -0.209 18214 55 1 1 . 1 1 13 13 LYS C C 13 176.622 176.622 176.585 0.037 18214 56 1 1 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.950 0.650 18214 57 1 1 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.721 -0.701 18214 58 1 1 . 1 1 13 13 LYS H H 13 8.472 8.472 8.308 0.164 18214 59 1 1 . 1 1 14 14 GLU N N 14 122.532 122.532 122.351 0.181 18214 60 1 1 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.299 -0.094 18214 61 1 1 . 1 1 14 14 GLU C C 14 176.326 176.326 176.361 -0.035 18214 62 1 1 . 1 1 14 14 GLU CA C 14 56.570 56.570 57.501 -0.931 18214 63 1 1 . 1 1 14 14 GLU CB C 14 30.100 30.100 28.456 1.644 18214 64 1 1 . 1 1 14 14 GLU H H 14 8.442 8.442 8.750 -0.308 18214 65 1 1 . 1 1 15 15 ILE N N 15 121.207 121.207 122.905 -1.698 18214 66 1 1 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.306 -0.239 18214 67 1 1 . 1 1 15 15 ILE C C 15 175.680 175.680 175.842 -0.162 18214 68 1 1 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.775 0.185 18214 69 1 1 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.599 0.251 18214 70 1 1 . 1 1 15 15 ILE H H 15 8.068 8.068 8.227 -0.159 18214 71 1 1 . 1 1 16 16 ASP N N 16 124.246 124.246 120.740 3.506 18214 72 1 1 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.854 -0.330 18214 73 1 1 . 1 1 16 16 ASP C C 16 175.965 175.965 175.095 0.870 18214 74 1 1 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.380 1.170 18214 75 1 1 . 1 1 16 16 ASP CB C 16 40.970 40.970 42.380 -1.410 18214 76 1 1 . 1 1 16 16 ASP H H 16 8.284 8.284 7.743 0.541 18214 77 1 1 . 1 1 17 17 ASN N N 17 119.667 119.667 120.837 -1.170 18214 78 1 1 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.868 -0.291 18214 79 1 1 . 1 1 17 17 ASN C C 17 175.417 175.417 174.105 1.312 18214 80 1 1 . 1 1 17 17 ASN CA C 17 53.690 53.690 52.908 0.782 18214 81 1 1 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.593 -0.793 18214 82 1 1 . 1 1 17 17 ASN H H 17 8.317 8.317 8.467 -0.150 18214 83 1 1 . 1 1 18 18 GLU N N 18 120.842 120.842 122.277 -1.435 18214 84 1 1 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.336 -0.139 18214 85 1 1 . 1 1 18 18 GLU C C 18 176.704 176.704 176.570 0.134 18214 86 1 1 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.624 0.146 18214 87 1 1 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.520 0.580 18214 88 1 1 . 1 1 18 18 GLU H H 18 8.407 8.407 8.012 0.395 18214 89 1 1 . 1 1 19 19 THR N N 19 115.248 115.248 119.273 -4.025 18214 90 1 1 . 1 1 19 19 THR HA H 19 4.177 4.177 4.381 -0.204 18214 91 1 1 . 1 1 19 19 THR C C 19 174.186 174.186 174.692 -0.506 18214 92 1 1 . 1 1 19 19 THR CA C 19 62.250 62.250 62.324 -0.074 18214 93 1 1 . 1 1 19 19 THR CB C 19 69.650 69.650 69.592 0.058 18214 94 1 1 . 1 1 19 19 THR H H 19 8.074 8.074 8.398 -0.324 18214 95 1 1 . 1 1 20 20 LEU N N 20 124.826 124.826 125.995 -1.169 18214 96 1 1 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.372 -0.108 18214 97 1 1 . 1 1 20 20 LEU C C 20 176.698 176.698 176.887 -0.189 18214 98 1 1 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.777 -0.197 18214 99 1 1 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.227 -0.117 18214 100 1 1 . 1 1 20 20 LEU H H 20 8.074 8.074 8.243 -0.169 18214 101 1 1 . 1 1 21 21 LEU N N 21 124.466 124.466 123.103 1.363 18214 102 1 1 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.629 -0.117 18214 103 1 1 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.644 -0.064 18214 104 1 1 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.623 0.237 18214 105 1 1 . 1 1 21 21 LEU H H 21 8.088 8.088 8.205 -0.117 18214 106 1 1 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.427 -0.135 18214 107 1 1 . 1 1 22 22 PRO C C 22 176.540 176.540 176.959 -0.419 18214 108 1 1 . 1 1 22 22 PRO CA C 22 62.910 62.910 63.089 -0.179 18214 109 1 1 . 1 1 22 22 PRO CB C 22 32.130 32.130 31.981 0.149 18214 110 1 1 . 1 1 23 23 ALA N N 23 124.451 124.451 124.685 -0.234 18214 111 1 1 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.023 0.135 18214 112 1 1 . 1 1 23 23 ALA C C 23 177.005 177.005 175.976 1.029 18214 113 1 1 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.056 -1.826 18214 114 1 1 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.318 -0.008 18214 115 1 1 . 1 1 23 23 ALA H H 23 8.314 8.314 8.674 -0.360 18214 116 1 1 . 1 1 24 24 ALA N N 24 121.792 121.792 116.617 5.175 18214 117 1 1 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.410 -0.154 18214 118 1 1 . 1 1 24 24 ALA C C 24 177.065 177.065 175.281 1.784 18214 119 1 1 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.728 0.122 18214 120 1 1 . 1 1 24 24 ALA CB C 24 20.300 20.300 21.100 -0.800 18214 121 1 1 . 1 1 24 24 ALA H H 24 7.994 7.994 7.420 0.574 18214 122 1 1 . 1 1 25 25 GLU N N 25 120.287 120.287 120.064 0.223 18214 123 1 1 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.328 -0.202 18214 124 1 1 . 1 1 25 25 GLU C C 25 176.233 176.233 175.707 0.526 18214 125 1 1 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.419 1.391 18214 126 1 1 . 1 1 25 25 GLU CB C 25 30.240 30.240 30.071 0.169 18214 127 1 1 . 1 1 25 25 GLU H H 25 8.404 8.404 8.493 -0.089 18214 128 1 1 . 1 1 26 26 ARG N N 26 123.246 123.246 121.867 1.379 18214 129 1 1 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.359 -0.024 18214 130 1 1 . 1 1 26 26 ARG C C 26 174.514 174.514 175.299 -0.785 18214 131 1 1 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.976 1.204 18214 132 1 1 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.680 1.661 18214 133 1 1 . 1 1 26 26 ARG H H 26 8.598 8.598 7.893 0.705 18214 134 1 1 . 1 1 27 27 ARG N N 27 123.563 123.563 127.938 -4.375 18214 135 1 1 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.569 0.875 18214 136 1 1 . 1 1 27 27 ARG C C 27 175.308 175.308 176.107 -0.799 18214 137 1 1 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.418 -1.248 18214 138 1 1 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.193 5.307 18214 139 1 1 . 1 1 27 27 ARG H H 27 8.230 8.230 8.376 -0.146 18214 140 1 1 . 1 1 28 28 VAL N N 28 120.927 120.927 120.144 0.783 18214 141 1 1 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.547 -0.112 18214 142 1 1 . 1 1 28 28 VAL C C 28 173.178 173.178 174.877 -1.699 18214 143 1 1 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.117 0.673 18214 144 1 1 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.048 0.462 18214 145 1 1 . 1 1 28 28 VAL H H 28 9.062 9.062 8.285 0.777 18214 146 1 1 . 1 1 29 29 ASN N N 29 124.526 124.526 121.374 3.152 18214 147 1 1 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.844 0.309 18214 148 1 1 . 1 1 29 29 ASN C C 29 177.848 177.848 177.265 0.583 18214 149 1 1 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.613 -0.453 18214 150 1 1 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.375 0.715 18214 151 1 1 . 1 1 29 29 ASN H H 29 8.779 8.779 8.499 0.280 18214 152 1 1 . 1 1 30 30 SER N N 30 123.081 123.081 118.603 4.478 18214 153 1 1 . 1 1 30 30 SER HA H 30 3.730 3.730 3.944 -0.214 18214 154 1 1 . 1 1 30 30 SER C C 30 175.833 175.833 176.071 -0.238 18214 155 1 1 . 1 1 30 30 SER CA C 30 62.010 62.010 61.986 0.024 18214 156 1 1 . 1 1 30 30 SER CB C 30 60.920 60.920 62.817 -1.897 18214 157 1 1 . 1 1 30 30 SER H H 30 9.338 9.338 8.367 0.971 18214 158 1 1 . 1 1 31 31 GLN N N 31 122.307 122.307 119.325 2.982 18214 159 1 1 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.158 -0.125 18214 160 1 1 . 1 1 31 31 GLN C C 31 177.569 177.569 176.305 1.264 18214 161 1 1 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.949 0.801 18214 162 1 1 . 1 1 31 31 GLN CB C 31 27.810 27.810 27.784 0.026 18214 163 1 1 . 1 1 31 31 GLN H H 31 8.938 8.938 8.462 0.476 18214 164 1 1 . 1 1 32 32 ALA N N 32 119.987 119.987 122.374 -2.387 18214 165 1 1 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.515 -0.287 18214 166 1 1 . 1 1 32 32 ALA C C 32 177.908 177.908 178.311 -0.403 18214 167 1 1 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.099 1.911 18214 168 1 1 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.475 0.415 18214 169 1 1 . 1 1 32 32 ALA H H 32 7.477 7.477 7.613 -0.136 18214 170 1 1 . 1 1 33 33 LEU N N 33 117.867 117.867 116.565 1.302 18214 171 1 1 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.949 0.173 18214 172 1 1 . 1 1 33 33 LEU C C 33 176.348 176.348 176.482 -0.134 18214 173 1 1 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.152 -0.872 18214 174 1 1 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.008 2.663 18214 175 1 1 . 1 1 33 33 LEU H H 33 7.269 7.269 7.467 -0.198 18214 176 1 1 . 1 1 34 34 LEU N N 34 114.642 114.642 114.004 0.638 18214 177 1 1 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.581 -0.881 18214 178 1 1 . 1 1 34 34 LEU C C 34 177.870 177.870 178.117 -0.247 18214 179 1 1 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.225 1.175 18214 180 1 1 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.989 -1.639 18214 181 1 1 . 1 1 34 34 LEU H H 34 7.915 7.915 7.602 0.313 18214 182 1 1 . 1 1 35 35 GLY N N 35 104.529 104.529 108.838 -4.309 18214 183 1 1 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.644 -1.034 18214 184 1 1 . 1 1 35 35 GLY H H 35 7.650 7.650 8.276 -0.626 18214 185 1 1 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.546 -0.223 18214 186 1 1 . 1 1 36 36 PRO C C 36 177.043 177.043 176.146 0.897 18214 187 1 1 . 1 1 36 36 PRO CA C 36 64.680 64.680 63.658 1.022 18214 188 1 1 . 1 1 36 36 PRO CB C 36 31.560 31.560 32.040 -0.480 18214 189 1 1 . 1 1 37 37 ASP N N 37 115.648 115.648 119.720 -4.072 18214 190 1 1 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.526 -0.030 18214 191 1 1 . 1 1 37 37 ASP C C 37 177.279 177.279 177.477 -0.198 18214 192 1 1 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.437 -1.227 18214 193 1 1 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.697 -1.507 18214 194 1 1 . 1 1 37 37 ASP H H 37 8.500 8.500 7.740 0.760 18214 195 1 1 . 1 1 38 38 GLY N N 38 107.249 107.249 107.684 -0.435 18214 196 1 1 . 1 1 38 38 GLY C C 38 172.445 172.445 173.442 -0.997 18214 197 1 1 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.219 1.901 18214 198 1 1 . 1 1 38 38 GLY H H 38 8.084 8.084 8.237 -0.153 18214 199 1 1 . 1 1 39 39 LYS N N 39 115.188 115.188 121.452 -6.264 18214 200 1 1 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.138 0.251 18214 201 1 1 . 1 1 39 39 LYS C C 39 175.182 175.182 175.334 -0.152 18214 202 1 1 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.983 -0.073 18214 203 1 1 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.260 3.620 18214 204 1 1 . 1 1 39 39 LYS H H 39 7.244 7.244 7.952 -0.708 18214 205 1 1 . 1 1 40 40 VAL N N 40 120.767 120.767 116.629 4.138 18214 206 1 1 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.737 -0.375 18214 207 1 1 . 1 1 40 40 VAL C C 40 171.344 171.344 174.277 -2.933 18214 208 1 1 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.471 1.869 18214 209 1 1 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.700 -0.570 18214 210 1 1 . 1 1 40 40 VAL H H 40 8.914 8.914 8.577 0.337 18214 211 1 1 . 1 1 41 41 ILE N N 41 127.866 127.866 120.742 7.124 18214 212 1 1 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.212 0.517 18214 213 1 1 . 1 1 41 41 ILE C C 41 175.237 175.237 175.100 0.137 18214 214 1 1 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.838 -0.928 18214 215 1 1 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.461 0.739 18214 216 1 1 . 1 1 41 41 ILE H H 41 8.114 8.114 8.130 -0.016 18214 217 1 1 . 1 1 42 42 ILE N N 42 126.986 126.986 128.684 -1.698 18214 218 1 1 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.243 0.557 18214 219 1 1 . 1 1 42 42 ILE C C 42 175.187 175.187 174.815 0.372 18214 220 1 1 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.021 -1.191 18214 221 1 1 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.351 2.459 18214 222 1 1 . 1 1 42 42 ILE H H 42 9.249 9.249 8.489 0.760 18214 223 1 1 . 1 1 43 43 ASP N N 43 127.951 127.951 130.237 -2.286 18214 224 1 1 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.983 -0.012 18214 225 1 1 . 1 1 43 43 ASP C C 43 175.505 175.505 174.609 0.896 18214 226 1 1 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.237 0.733 18214 227 1 1 . 1 1 43 43 ASP CB C 43 42.210 42.210 41.809 0.401 18214 228 1 1 . 1 1 43 43 ASP H H 43 8.800 8.800 8.506 0.294 18214 229 1 1 . 1 1 44 44 HIS N N 44 126.451 126.451 125.572 0.879 18214 230 1 1 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.811 0.385 18214 231 1 1 . 1 1 44 44 HIS C C 44 174.492 174.492 174.099 0.393 18214 232 1 1 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.444 -1.784 18214 233 1 1 . 1 1 44 44 HIS CB C 44 33.900 33.900 33.124 0.776 18214 234 1 1 . 1 1 44 44 HIS H H 44 9.194 9.194 8.367 0.827 18214 235 1 1 . 1 1 45 45 ASN N N 45 126.311 126.311 124.165 2.146 18214 236 1 1 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.195 -0.055 18214 237 1 1 . 1 1 45 45 ASN C C 45 174.892 174.892 175.182 -0.290 18214 238 1 1 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.454 0.206 18214 239 1 1 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.835 -0.645 18214 240 1 1 . 1 1 45 45 ASN H H 45 9.057 9.057 8.586 0.471 18214 241 1 1 . 1 1 46 46 GLY N N 46 105.469 105.469 103.307 2.162 18214 242 1 1 . 1 1 46 46 GLY C C 46 173.945 173.945 174.123 -0.178 18214 243 1 1 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.324 0.116 18214 244 1 1 . 1 1 46 46 GLY H H 46 8.686 8.686 8.586 0.100 18214 245 1 1 . 1 1 47 47 GLN N N 47 120.007 120.007 117.755 2.252 18214 246 1 1 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.624 -0.155 18214 247 1 1 . 1 1 47 47 GLN C C 47 174.656 174.656 173.774 0.882 18214 248 1 1 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.229 -0.079 18214 249 1 1 . 1 1 47 47 GLN CB C 47 31.070 31.070 32.601 -1.531 18214 250 1 1 . 1 1 47 47 GLN H H 47 7.841 7.841 7.723 0.118 18214 251 1 1 . 1 1 48 48 GLU N N 48 123.081 123.081 118.097 4.984 18214 252 1 1 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.504 -0.765 18214 253 1 1 . 1 1 48 48 GLU C C 48 175.877 175.877 175.191 0.686 18214 254 1 1 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.453 1.717 18214 255 1 1 . 1 1 48 48 GLU CB C 48 30.730 30.730 33.523 -2.793 18214 256 1 1 . 1 1 48 48 GLU H H 48 8.505 8.505 8.656 -0.151 18214 257 1 1 . 1 1 49 49 TYR N N 49 124.226 124.226 116.483 7.743 18214 258 1 1 . 1 1 49 49 TYR HA H 49 4.760 4.760 5.004 -0.244 18214 259 1 1 . 1 1 49 49 TYR C C 49 174.098 174.098 173.758 0.340 18214 260 1 1 . 1 1 49 49 TYR CA C 49 56.860 56.860 56.314 0.546 18214 261 1 1 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.717 0.803 18214 262 1 1 . 1 1 49 49 TYR H H 49 9.086 9.086 8.686 0.400 18214 263 1 1 . 1 1 50 50 LEU N N 50 123.506 123.506 126.474 -2.968 18214 264 1 1 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.695 0.146 18214 265 1 1 . 1 1 50 50 LEU C C 50 174.459 174.459 174.949 -0.490 18214 266 1 1 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.620 -0.780 18214 267 1 1 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.304 1.626 18214 268 1 1 . 1 1 50 50 LEU H H 50 9.147 9.147 8.730 0.417 18214 269 1 1 . 1 1 51 51 LEU N N 51 129.785 129.785 129.859 -0.074 18214 270 1 1 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.318 -0.085 18214 271 1 1 . 1 1 51 51 LEU C C 51 174.246 174.246 174.322 -0.076 18214 272 1 1 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.913 0.027 18214 273 1 1 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.902 -1.012 18214 274 1 1 . 1 1 51 51 LEU H H 51 8.803 8.803 8.634 0.169 18214 275 1 1 . 1 1 52 52 ARG N N 52 121.867 121.867 124.291 -2.424 18214 276 1 1 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.309 -0.017 18214 277 1 1 . 1 1 52 52 ARG C C 52 173.561 173.561 175.178 -1.617 18214 278 1 1 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.385 -0.165 18214 279 1 1 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.911 0.649 18214 280 1 1 . 1 1 52 52 ARG H H 52 8.740 8.740 8.588 0.152 18214 281 1 1 . 1 1 53 53 LYS N N 53 118.467 118.467 124.223 -5.756 18214 282 1 1 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.949 0.211 18214 283 1 1 . 1 1 53 53 LYS C C 53 176.879 176.879 176.639 0.240 18214 284 1 1 . 1 1 53 53 LYS CA C 53 53.660 53.660 55.671 -2.011 18214 285 1 1 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.640 1.160 18214 286 1 1 . 1 1 53 53 LYS H H 53 7.912 7.912 8.184 -0.272 18214 287 1 1 . 1 1 54 54 THR N N 54 114.428 114.428 117.198 -2.770 18214 288 1 1 . 1 1 54 54 THR HA H 54 4.703 4.703 4.338 0.365 18214 289 1 1 . 1 1 54 54 THR CA C 54 59.430 59.430 62.071 -2.641 18214 290 1 1 . 1 1 54 54 THR CB C 54 71.730 71.730 70.545 1.185 18214 291 1 1 . 1 1 54 54 THR H H 54 8.753 8.753 8.433 0.320 18214 292 1 1 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.196 0.159 18214 293 1 1 . 1 1 56 56 ALA C C 56 177.569 177.569 177.579 -0.010 18214 294 1 1 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.522 -0.492 18214 295 1 1 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.937 -0.037 18214 296 1 1 . 1 1 57 57 GLY N N 57 106.509 106.509 104.469 2.040 18214 297 1 1 . 1 1 57 57 GLY C C 57 174.678 174.678 173.637 1.041 18214 298 1 1 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.595 1.005 18214 299 1 1 . 1 1 57 57 GLY H H 57 7.961 7.961 7.785 0.176 18214 300 1 1 . 1 1 58 58 LYS N N 58 118.787 118.787 118.845 -0.058 18214 301 1 1 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.686 -0.058 18214 302 1 1 . 1 1 58 58 LYS C C 58 174.755 174.755 175.001 -0.246 18214 303 1 1 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.184 0.476 18214 304 1 1 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.615 -2.665 18214 305 1 1 . 1 1 58 58 LYS H H 58 7.064 7.064 7.881 -0.817 18214 306 1 1 . 1 1 59 59 LEU N N 59 117.082 117.082 119.849 -2.767 18214 307 1 1 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.292 -0.512 18214 308 1 1 . 1 1 59 59 LEU C C 59 174.903 174.903 176.412 -1.509 18214 309 1 1 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.414 -0.294 18214 310 1 1 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.852 0.237 18214 311 1 1 . 1 1 59 59 LEU H H 59 6.661 6.661 8.318 -1.657 18214 312 1 1 . 1 1 60 60 LEU N N 60 121.360 121.360 125.030 -3.670 18214 313 1 1 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.636 -0.281 18214 314 1 1 . 1 1 60 60 LEU C C 60 174.005 174.005 174.628 -0.623 18214 315 1 1 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.578 -0.748 18214 316 1 1 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.827 2.213 18214 317 1 1 . 1 1 60 60 LEU H H 60 8.457 8.457 8.510 -0.053 18214 318 1 1 . 1 1 61 61 LEU N N 61 127.886 127.886 129.038 -1.152 18214 319 1 1 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.078 0.368 18214 320 1 1 . 1 1 61 61 LEU C C 61 175.910 175.910 176.656 -0.746 18214 321 1 1 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.920 -0.640 18214 322 1 1 . 1 1 61 61 LEU CB C 61 45.970 45.970 42.370 3.600 18214 323 1 1 . 1 1 61 61 LEU H H 61 8.556 8.556 8.554 0.002 18214 324 1 1 . 1 1 62 62 THR N N 62 120.607 120.607 119.203 1.404 18214 325 1 1 . 1 1 62 62 THR HA H 62 4.749 4.749 4.656 0.093 18214 326 1 1 . 1 1 62 62 THR C C 62 171.903 171.903 173.784 -1.881 18214 327 1 1 . 1 1 62 62 THR CA C 62 60.240 60.240 60.926 -0.686 18214 328 1 1 . 1 1 62 62 THR CB C 62 71.970 71.970 71.972 -0.002 18214 329 1 1 . 1 1 62 62 THR H H 62 9.281 9.281 8.963 0.318 18214 330 1 2 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.483 -0.197 18214 331 1 2 . 1 1 3 3 ARG C C 3 176.261 176.261 176.666 -0.405 18214 332 1 2 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.565 0.665 18214 333 1 2 . 1 1 3 3 ARG CB C 3 30.760 30.760 31.068 -0.308 18214 334 1 2 . 1 1 4 4 MET N N 4 121.127 121.127 118.890 2.237 18214 335 1 2 . 1 1 4 4 MET HA H 4 4.392 4.392 4.128 0.264 18214 336 1 2 . 1 1 4 4 MET C C 4 175.779 175.779 175.080 0.699 18214 337 1 2 . 1 1 4 4 MET CA C 4 55.440 55.440 57.322 -1.882 18214 338 1 2 . 1 1 4 4 MET CB C 4 32.820 32.820 32.150 0.670 18214 339 1 2 . 1 1 4 4 MET H H 4 8.318 8.318 8.197 0.121 18214 340 1 2 . 1 1 5 5 ASP N N 5 121.087 121.087 119.664 1.423 18214 341 1 2 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.630 -0.108 18214 342 1 2 . 1 1 5 5 ASP C C 5 175.850 175.850 174.478 1.372 18214 343 1 2 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.559 -0.339 18214 344 1 2 . 1 1 5 5 ASP CB C 5 41.200 41.200 40.725 0.475 18214 345 1 2 . 1 1 5 5 ASP H H 5 8.247 8.247 8.715 -0.468 18214 346 1 2 . 1 1 6 6 ASN N N 6 119.267 119.267 121.220 -1.953 18214 347 1 2 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.488 0.176 18214 348 1 2 . 1 1 6 6 ASN C C 6 175.478 175.478 173.911 1.567 18214 349 1 2 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.871 -0.501 18214 350 1 2 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.900 -0.380 18214 351 1 2 . 1 1 6 6 ASN H H 6 8.320 8.320 8.653 -0.333 18214 352 1 2 . 1 1 7 7 THR N N 7 114.228 114.228 118.033 -3.805 18214 353 1 2 . 1 1 7 7 THR HA H 7 4.179 4.179 4.697 -0.518 18214 354 1 2 . 1 1 7 7 THR C C 7 174.476 174.476 173.461 1.015 18214 355 1 2 . 1 1 7 7 THR CA C 7 62.340 62.340 62.095 0.245 18214 356 1 2 . 1 1 7 7 THR CB C 7 69.650 69.650 69.581 0.069 18214 357 1 2 . 1 1 7 7 THR H H 7 8.111 8.111 8.341 -0.230 18214 358 1 2 . 1 1 8 8 GLU N N 8 122.962 122.962 123.800 -0.838 18214 359 1 2 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.660 -0.437 18214 360 1 2 . 1 1 8 8 GLU C C 8 176.020 176.020 174.362 1.658 18214 361 1 2 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.043 0.187 18214 362 1 2 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.971 -0.711 18214 363 1 2 . 1 1 8 8 GLU H H 8 8.256 8.256 8.582 -0.326 18214 364 1 2 . 1 1 9 9 LEU N N 9 124.766 124.766 122.177 2.589 18214 365 1 2 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.852 -0.369 18214 366 1 2 . 1 1 9 9 LEU CA C 9 53.170 53.170 52.796 0.374 18214 367 1 2 . 1 1 9 9 LEU CB C 9 41.590 41.590 42.947 -1.357 18214 368 1 2 . 1 1 9 9 LEU H H 9 8.130 8.130 8.424 -0.294 18214 369 1 2 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.398 -0.106 18214 370 1 2 . 1 1 10 10 PRO C C 10 176.337 176.337 176.187 0.150 18214 371 1 2 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.839 0.011 18214 372 1 2 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.314 -0.394 18214 373 1 2 . 1 1 11 11 HIS N N 11 120.147 120.147 121.795 -1.648 18214 374 1 2 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.734 0.091 18214 375 1 2 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.383 -0.953 18214 376 1 2 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.899 -0.529 18214 377 1 2 . 1 1 11 11 HIS H H 11 8.329 8.329 8.229 0.100 18214 378 1 2 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.376 -0.049 18214 379 1 2 . 1 1 12 12 PRO C C 12 176.731 176.731 176.038 0.693 18214 380 1 2 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.168 0.022 18214 381 1 2 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.328 -0.218 18214 382 1 2 . 1 1 13 13 LYS N N 13 121.927 121.927 125.891 -3.964 18214 383 1 2 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.415 -0.214 18214 384 1 2 . 1 1 13 13 LYS C C 13 176.622 176.622 176.409 0.213 18214 385 1 2 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.767 0.833 18214 386 1 2 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.095 -0.075 18214 387 1 2 . 1 1 13 13 LYS H H 13 8.472 8.472 8.303 0.169 18214 388 1 2 . 1 1 14 14 GLU N N 14 122.532 122.532 124.374 -1.842 18214 389 1 2 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.428 -0.223 18214 390 1 2 . 1 1 14 14 GLU C C 14 176.326 176.326 176.212 0.114 18214 391 1 2 . 1 1 14 14 GLU CA C 14 56.570 56.570 55.627 0.943 18214 392 1 2 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.370 -0.270 18214 393 1 2 . 1 1 14 14 GLU H H 14 8.442 8.442 8.621 -0.179 18214 394 1 2 . 1 1 15 15 ILE N N 15 121.207 121.207 125.503 -4.296 18214 395 1 2 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.153 -0.086 18214 396 1 2 . 1 1 15 15 ILE C C 15 175.680 175.680 175.314 0.366 18214 397 1 2 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.488 0.472 18214 398 1 2 . 1 1 15 15 ILE CB C 15 38.850 38.850 36.999 1.851 18214 399 1 2 . 1 1 15 15 ILE H H 15 8.068 8.068 8.399 -0.331 18214 400 1 2 . 1 1 16 16 ASP N N 16 124.246 124.246 124.596 -0.350 18214 401 1 2 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.334 0.190 18214 402 1 2 . 1 1 16 16 ASP C C 16 175.965 175.965 174.668 1.297 18214 403 1 2 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.967 -0.417 18214 404 1 2 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.423 -0.453 18214 405 1 2 . 1 1 16 16 ASP H H 16 8.284 8.284 8.179 0.105 18214 406 1 2 . 1 1 17 17 ASN N N 17 119.667 119.667 118.697 0.970 18214 407 1 2 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.826 -0.249 18214 408 1 2 . 1 1 17 17 ASN C C 17 175.417 175.417 173.541 1.876 18214 409 1 2 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.066 0.624 18214 410 1 2 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.816 -1.016 18214 411 1 2 . 1 1 17 17 ASN H H 17 8.317 8.317 8.251 0.066 18214 412 1 2 . 1 1 18 18 GLU N N 18 120.842 120.842 120.756 0.086 18214 413 1 2 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.443 -0.246 18214 414 1 2 . 1 1 18 18 GLU C C 18 176.704 176.704 176.286 0.418 18214 415 1 2 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.516 0.254 18214 416 1 2 . 1 1 18 18 GLU CB C 18 30.100 30.100 30.387 -0.287 18214 417 1 2 . 1 1 18 18 GLU H H 18 8.407 8.407 8.788 -0.381 18214 418 1 2 . 1 1 19 19 THR N N 19 115.248 115.248 116.125 -0.877 18214 419 1 2 . 1 1 19 19 THR HA H 19 4.177 4.177 4.366 -0.189 18214 420 1 2 . 1 1 19 19 THR C C 19 174.186 174.186 174.820 -0.634 18214 421 1 2 . 1 1 19 19 THR CA C 19 62.250 62.250 62.806 -0.556 18214 422 1 2 . 1 1 19 19 THR CB C 19 69.650 69.650 69.620 0.030 18214 423 1 2 . 1 1 19 19 THR H H 19 8.074 8.074 7.954 0.120 18214 424 1 2 . 1 1 20 20 LEU N N 20 124.826 124.826 127.067 -2.241 18214 425 1 2 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.522 -0.258 18214 426 1 2 . 1 1 20 20 LEU C C 20 176.698 176.698 176.189 0.509 18214 427 1 2 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.040 0.540 18214 428 1 2 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.929 -0.819 18214 429 1 2 . 1 1 20 20 LEU H H 20 8.074 8.074 8.483 -0.409 18214 430 1 2 . 1 1 21 21 LEU N N 21 124.466 124.466 121.837 2.629 18214 431 1 2 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.726 -0.214 18214 432 1 2 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.472 0.108 18214 433 1 2 . 1 1 21 21 LEU CB C 21 41.860 41.860 42.066 -0.206 18214 434 1 2 . 1 1 21 21 LEU H H 21 8.088 8.088 8.153 -0.065 18214 435 1 2 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.516 -0.224 18214 436 1 2 . 1 1 22 22 PRO C C 22 176.540 176.540 177.668 -1.128 18214 437 1 2 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.968 -0.058 18214 438 1 2 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.113 0.017 18214 439 1 2 . 1 1 23 23 ALA N N 23 124.451 124.451 125.852 -1.401 18214 440 1 2 . 1 1 23 23 ALA HA H 23 4.158 4.158 3.994 0.164 18214 441 1 2 . 1 1 23 23 ALA C C 23 177.005 177.005 175.938 1.067 18214 442 1 2 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.237 -2.007 18214 443 1 2 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.274 0.036 18214 444 1 2 . 1 1 23 23 ALA H H 23 8.314 8.314 8.705 -0.391 18214 445 1 2 . 1 1 24 24 ALA N N 24 121.792 121.792 116.108 5.684 18214 446 1 2 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.387 -0.131 18214 447 1 2 . 1 1 24 24 ALA C C 24 177.065 177.065 175.852 1.213 18214 448 1 2 . 1 1 24 24 ALA CA C 24 51.850 51.850 52.043 -0.193 18214 449 1 2 . 1 1 24 24 ALA CB C 24 20.300 20.300 21.122 -0.822 18214 450 1 2 . 1 1 24 24 ALA H H 24 7.994 7.994 7.644 0.350 18214 451 1 2 . 1 1 25 25 GLU N N 25 120.287 120.287 120.163 0.124 18214 452 1 2 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.300 -0.174 18214 453 1 2 . 1 1 25 25 GLU C C 25 176.233 176.233 175.999 0.234 18214 454 1 2 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.272 1.538 18214 455 1 2 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.432 0.808 18214 456 1 2 . 1 1 25 25 GLU H H 25 8.404 8.404 8.464 -0.060 18214 457 1 2 . 1 1 26 26 ARG N N 26 123.246 123.246 122.609 0.637 18214 458 1 2 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.397 -0.062 18214 459 1 2 . 1 1 26 26 ARG C C 26 174.514 174.514 175.017 -0.503 18214 460 1 2 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.056 1.124 18214 461 1 2 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.724 1.616 18214 462 1 2 . 1 1 26 26 ARG H H 26 8.598 8.598 8.013 0.585 18214 463 1 2 . 1 1 27 27 ARG N N 27 123.563 123.563 127.629 -4.066 18214 464 1 2 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.828 0.616 18214 465 1 2 . 1 1 27 27 ARG C C 27 175.308 175.308 176.196 -0.888 18214 466 1 2 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.696 -1.526 18214 467 1 2 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.666 4.834 18214 468 1 2 . 1 1 27 27 ARG H H 27 8.230 8.230 8.480 -0.250 18214 469 1 2 . 1 1 28 28 VAL N N 28 120.927 120.927 121.471 -0.544 18214 470 1 2 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.570 -0.135 18214 471 1 2 . 1 1 28 28 VAL C C 28 173.178 173.178 175.140 -1.962 18214 472 1 2 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.397 0.393 18214 473 1 2 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.846 -0.336 18214 474 1 2 . 1 1 28 28 VAL H H 28 9.062 9.062 8.450 0.612 18214 475 1 2 . 1 1 29 29 ASN N N 29 124.526 124.526 121.072 3.454 18214 476 1 2 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.952 0.201 18214 477 1 2 . 1 1 29 29 ASN C C 29 177.848 177.848 177.411 0.437 18214 478 1 2 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.278 -1.118 18214 479 1 2 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.849 1.241 18214 480 1 2 . 1 1 29 29 ASN H H 29 8.779 8.779 8.554 0.225 18214 481 1 2 . 1 1 30 30 SER N N 30 123.081 123.081 115.733 7.348 18214 482 1 2 . 1 1 30 30 SER HA H 30 3.730 3.730 4.173 -0.443 18214 483 1 2 . 1 1 30 30 SER C C 30 175.833 175.833 176.271 -0.438 18214 484 1 2 . 1 1 30 30 SER CA C 30 62.010 62.010 61.847 0.163 18214 485 1 2 . 1 1 30 30 SER CB C 30 60.920 60.920 62.948 -2.028 18214 486 1 2 . 1 1 30 30 SER H H 30 9.338 9.338 8.604 0.734 18214 487 1 2 . 1 1 31 31 GLN N N 31 122.307 122.307 120.099 2.208 18214 488 1 2 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.177 -0.144 18214 489 1 2 . 1 1 31 31 GLN C C 31 177.569 177.569 176.547 1.022 18214 490 1 2 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.995 0.755 18214 491 1 2 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.022 -0.212 18214 492 1 2 . 1 1 31 31 GLN H H 31 8.938 8.938 8.578 0.360 18214 493 1 2 . 1 1 32 32 ALA N N 32 119.987 119.987 121.638 -1.651 18214 494 1 2 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.613 -0.385 18214 495 1 2 . 1 1 32 32 ALA C C 32 177.908 177.908 177.937 -0.029 18214 496 1 2 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.010 2.000 18214 497 1 2 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.982 -0.092 18214 498 1 2 . 1 1 32 32 ALA H H 32 7.477 7.477 7.623 -0.146 18214 499 1 2 . 1 1 33 33 LEU N N 33 117.867 117.867 116.287 1.580 18214 500 1 2 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.999 0.123 18214 501 1 2 . 1 1 33 33 LEU C C 33 176.348 176.348 176.809 -0.461 18214 502 1 2 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.110 -0.830 18214 503 1 2 . 1 1 33 33 LEU CB C 33 44.670 44.670 41.964 2.706 18214 504 1 2 . 1 1 33 33 LEU H H 33 7.269 7.269 7.396 -0.127 18214 505 1 2 . 1 1 34 34 LEU N N 34 114.642 114.642 114.992 -0.350 18214 506 1 2 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.535 -0.835 18214 507 1 2 . 1 1 34 34 LEU C C 34 177.870 177.870 178.060 -0.190 18214 508 1 2 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.326 1.074 18214 509 1 2 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.525 -1.175 18214 510 1 2 . 1 1 34 34 LEU H H 34 7.915 7.915 7.643 0.272 18214 511 1 2 . 1 1 35 35 GLY N N 35 104.529 104.529 107.765 -3.236 18214 512 1 2 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.237 -0.627 18214 513 1 2 . 1 1 35 35 GLY H H 35 7.650 7.650 8.112 -0.462 18214 514 1 2 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.441 -0.118 18214 515 1 2 . 1 1 36 36 PRO C C 36 177.043 177.043 176.283 0.760 18214 516 1 2 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.305 0.375 18214 517 1 2 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.953 -0.393 18214 518 1 2 . 1 1 37 37 ASP N N 37 115.648 115.648 119.203 -3.555 18214 519 1 2 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.587 -0.091 18214 520 1 2 . 1 1 37 37 ASP C C 37 177.279 177.279 177.577 -0.298 18214 521 1 2 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.810 -1.600 18214 522 1 2 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.134 -0.944 18214 523 1 2 . 1 1 37 37 ASP H H 37 8.500 8.500 8.128 0.372 18214 524 1 2 . 1 1 38 38 GLY N N 38 107.249 107.249 106.302 0.947 18214 525 1 2 . 1 1 38 38 GLY C C 38 172.445 172.445 173.616 -1.171 18214 526 1 2 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.777 1.343 18214 527 1 2 . 1 1 38 38 GLY H H 38 8.084 8.084 8.073 0.011 18214 528 1 2 . 1 1 39 39 LYS N N 39 115.188 115.188 118.583 -3.395 18214 529 1 2 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.359 0.030 18214 530 1 2 . 1 1 39 39 LYS C C 39 175.182 175.182 175.071 0.111 18214 531 1 2 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.774 0.136 18214 532 1 2 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.195 3.685 18214 533 1 2 . 1 1 39 39 LYS H H 39 7.244 7.244 7.414 -0.170 18214 534 1 2 . 1 1 40 40 VAL N N 40 120.767 120.767 115.846 4.921 18214 535 1 2 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.778 -0.416 18214 536 1 2 . 1 1 40 40 VAL C C 40 171.344 171.344 174.365 -3.021 18214 537 1 2 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.385 1.955 18214 538 1 2 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.628 -0.498 18214 539 1 2 . 1 1 40 40 VAL H H 40 8.914 8.914 8.594 0.320 18214 540 1 2 . 1 1 41 41 ILE N N 41 127.866 127.866 120.157 7.709 18214 541 1 2 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.453 0.276 18214 542 1 2 . 1 1 41 41 ILE C C 41 175.237 175.237 175.493 -0.256 18214 543 1 2 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.727 -0.817 18214 544 1 2 . 1 1 41 41 ILE CB C 41 39.200 39.200 37.909 1.291 18214 545 1 2 . 1 1 41 41 ILE H H 41 8.114 8.114 8.217 -0.103 18214 546 1 2 . 1 1 42 42 ILE N N 42 126.986 126.986 129.609 -2.623 18214 547 1 2 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.261 0.539 18214 548 1 2 . 1 1 42 42 ILE C C 42 175.187 175.187 174.967 0.220 18214 549 1 2 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.721 -1.891 18214 550 1 2 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.237 2.572 18214 551 1 2 . 1 1 42 42 ILE H H 42 9.249 9.249 8.910 0.339 18214 552 1 2 . 1 1 43 43 ASP N N 43 127.951 127.951 129.828 -1.877 18214 553 1 2 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.683 0.288 18214 554 1 2 . 1 1 43 43 ASP C C 43 175.505 175.505 174.797 0.708 18214 555 1 2 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.470 0.500 18214 556 1 2 . 1 1 43 43 ASP CB C 43 42.210 42.210 41.524 0.686 18214 557 1 2 . 1 1 43 43 ASP H H 43 8.800 8.800 8.516 0.284 18214 558 1 2 . 1 1 44 44 HIS N N 44 126.451 126.451 126.983 -0.532 18214 559 1 2 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.861 0.335 18214 560 1 2 . 1 1 44 44 HIS C C 44 174.492 174.492 174.786 -0.294 18214 561 1 2 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.838 -1.178 18214 562 1 2 . 1 1 44 44 HIS CB C 44 33.900 33.900 29.835 4.065 18214 563 1 2 . 1 1 44 44 HIS H H 44 9.194 9.194 8.390 0.804 18214 564 1 2 . 1 1 45 45 ASN N N 45 126.311 126.311 125.801 0.510 18214 565 1 2 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.210 -0.070 18214 566 1 2 . 1 1 45 45 ASN C C 45 174.892 174.892 174.749 0.143 18214 567 1 2 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.746 -0.086 18214 568 1 2 . 1 1 45 45 ASN CB C 45 37.190 37.190 36.392 0.798 18214 569 1 2 . 1 1 45 45 ASN H H 45 9.057 9.057 8.852 0.205 18214 570 1 2 . 1 1 46 46 GLY N N 46 105.469 105.469 103.748 1.721 18214 571 1 2 . 1 1 46 46 GLY C C 46 173.945 173.945 174.183 -0.238 18214 572 1 2 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.195 0.245 18214 573 1 2 . 1 1 46 46 GLY H H 46 8.686 8.686 8.446 0.240 18214 574 1 2 . 1 1 47 47 GLN N N 47 120.007 120.007 123.249 -3.242 18214 575 1 2 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.188 0.281 18214 576 1 2 . 1 1 47 47 GLN C C 47 174.656 174.656 174.596 0.060 18214 577 1 2 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.080 -0.930 18214 578 1 2 . 1 1 47 47 GLN CB C 47 31.070 31.070 28.671 2.399 18214 579 1 2 . 1 1 47 47 GLN H H 47 7.841 7.841 7.661 0.180 18214 580 1 2 . 1 1 48 48 GLU N N 48 123.081 123.081 123.371 -0.290 18214 581 1 2 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.021 -0.282 18214 582 1 2 . 1 1 48 48 GLU C C 48 175.877 175.877 175.367 0.510 18214 583 1 2 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.288 1.881 18214 584 1 2 . 1 1 48 48 GLU CB C 48 30.730 30.730 30.936 -0.206 18214 585 1 2 . 1 1 48 48 GLU H H 48 8.505 8.505 8.369 0.136 18214 586 1 2 . 1 1 49 49 TYR N N 49 124.226 124.226 120.474 3.752 18214 587 1 2 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.763 -0.003 18214 588 1 2 . 1 1 49 49 TYR C C 49 174.098 174.098 174.228 -0.130 18214 589 1 2 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.755 1.105 18214 590 1 2 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.705 0.815 18214 591 1 2 . 1 1 49 49 TYR H H 49 9.086 9.086 8.486 0.600 18214 592 1 2 . 1 1 50 50 LEU N N 50 123.506 123.506 124.440 -0.934 18214 593 1 2 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.799 0.042 18214 594 1 2 . 1 1 50 50 LEU C C 50 174.459 174.459 174.918 -0.459 18214 595 1 2 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.610 -0.770 18214 596 1 2 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.988 0.942 18214 597 1 2 . 1 1 50 50 LEU H H 50 9.147 9.147 8.611 0.536 18214 598 1 2 . 1 1 51 51 LEU N N 51 129.785 129.785 128.064 1.721 18214 599 1 2 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.301 -0.068 18214 600 1 2 . 1 1 51 51 LEU C C 51 174.246 174.246 174.378 -0.132 18214 601 1 2 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.009 -0.069 18214 602 1 2 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.891 -2.001 18214 603 1 2 . 1 1 51 51 LEU H H 51 8.803 8.803 9.035 -0.232 18214 604 1 2 . 1 1 52 52 ARG N N 52 121.867 121.867 122.989 -1.122 18214 605 1 2 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.164 0.128 18214 606 1 2 . 1 1 52 52 ARG C C 52 173.561 173.561 175.125 -1.564 18214 607 1 2 . 1 1 52 52 ARG CA C 52 53.220 53.220 54.014 -0.794 18214 608 1 2 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.785 0.775 18214 609 1 2 . 1 1 52 52 ARG H H 52 8.740 8.740 8.650 0.090 18214 610 1 2 . 1 1 53 53 LYS N N 53 118.467 118.467 125.940 -7.473 18214 611 1 2 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.607 0.553 18214 612 1 2 . 1 1 53 53 LYS C C 53 176.879 176.879 176.657 0.222 18214 613 1 2 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.322 -2.662 18214 614 1 2 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.043 1.757 18214 615 1 2 . 1 1 53 53 LYS H H 53 7.912 7.912 8.314 -0.402 18214 616 1 2 . 1 1 54 54 THR N N 54 114.428 114.428 116.882 -2.454 18214 617 1 2 . 1 1 54 54 THR HA H 54 4.703 4.703 4.325 0.378 18214 618 1 2 . 1 1 54 54 THR CA C 54 59.430 59.430 62.085 -2.655 18214 619 1 2 . 1 1 54 54 THR CB C 54 71.730 71.730 70.356 1.374 18214 620 1 2 . 1 1 54 54 THR H H 54 8.753 8.753 8.323 0.430 18214 621 1 2 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.220 0.135 18214 622 1 2 . 1 1 56 56 ALA C C 56 177.569 177.569 178.084 -0.515 18214 623 1 2 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.432 -0.402 18214 624 1 2 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.711 0.189 18214 625 1 2 . 1 1 57 57 GLY N N 57 106.509 106.509 105.980 0.529 18214 626 1 2 . 1 1 57 57 GLY C C 57 174.678 174.678 173.941 0.737 18214 627 1 2 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.929 0.671 18214 628 1 2 . 1 1 57 57 GLY H H 57 7.961 7.961 7.869 0.092 18214 629 1 2 . 1 1 58 58 LYS N N 58 118.787 118.787 118.523 0.264 18214 630 1 2 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.641 -0.013 18214 631 1 2 . 1 1 58 58 LYS C C 58 174.755 174.755 174.845 -0.090 18214 632 1 2 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.304 0.356 18214 633 1 2 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.638 -2.688 18214 634 1 2 . 1 1 58 58 LYS H H 58 7.064 7.064 7.870 -0.806 18214 635 1 2 . 1 1 59 59 LEU N N 59 117.082 117.082 119.732 -2.650 18214 636 1 2 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.101 -0.321 18214 637 1 2 . 1 1 59 59 LEU C C 59 174.903 174.903 176.220 -1.317 18214 638 1 2 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.434 -0.314 18214 639 1 2 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.838 0.252 18214 640 1 2 . 1 1 59 59 LEU H H 59 6.661 6.661 8.307 -1.646 18214 641 1 2 . 1 1 60 60 LEU N N 60 121.360 121.360 125.153 -3.793 18214 642 1 2 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.630 -0.275 18214 643 1 2 . 1 1 60 60 LEU C C 60 174.005 174.005 174.646 -0.641 18214 644 1 2 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.337 -0.507 18214 645 1 2 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.656 2.384 18214 646 1 2 . 1 1 60 60 LEU H H 60 8.457 8.457 8.491 -0.034 18214 647 1 2 . 1 1 61 61 LEU N N 61 127.886 127.886 129.698 -1.812 18214 648 1 2 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.025 0.421 18214 649 1 2 . 1 1 61 61 LEU C C 61 175.910 175.910 176.371 -0.461 18214 650 1 2 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.891 -0.611 18214 651 1 2 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.072 4.898 18214 652 1 2 . 1 1 61 61 LEU H H 61 8.556 8.556 8.674 -0.118 18214 653 1 2 . 1 1 62 62 THR N N 62 120.607 120.607 117.879 2.728 18214 654 1 2 . 1 1 62 62 THR HA H 62 4.749 4.749 4.788 -0.039 18214 655 1 2 . 1 1 62 62 THR C C 62 171.903 171.903 173.230 -1.327 18214 656 1 2 . 1 1 62 62 THR CA C 62 60.240 60.240 60.849 -0.609 18214 657 1 2 . 1 1 62 62 THR CB C 62 71.970 71.970 70.264 1.706 18214 658 1 2 . 1 1 62 62 THR H H 62 9.281 9.281 8.824 0.457 18214 659 1 3 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.499 -0.213 18214 660 1 3 . 1 1 3 3 ARG C C 3 176.261 176.261 175.257 1.004 18214 661 1 3 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.965 0.265 18214 662 1 3 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.222 0.538 18214 663 1 3 . 1 1 4 4 MET N N 4 121.127 121.127 124.234 -3.107 18214 664 1 3 . 1 1 4 4 MET HA H 4 4.392 4.392 4.698 -0.306 18214 665 1 3 . 1 1 4 4 MET C C 4 175.779 175.779 175.053 0.726 18214 666 1 3 . 1 1 4 4 MET CA C 4 55.440 55.440 55.499 -0.059 18214 667 1 3 . 1 1 4 4 MET CB C 4 32.820 32.820 33.531 -0.711 18214 668 1 3 . 1 1 4 4 MET H H 4 8.318 8.318 8.437 -0.119 18214 669 1 3 . 1 1 5 5 ASP N N 5 121.087 121.087 125.080 -3.993 18214 670 1 3 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.787 -0.265 18214 671 1 3 . 1 1 5 5 ASP C C 5 175.850 175.850 174.483 1.367 18214 672 1 3 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.771 -0.551 18214 673 1 3 . 1 1 5 5 ASP CB C 5 41.200 41.200 42.896 -1.696 18214 674 1 3 . 1 1 5 5 ASP H H 5 8.247 8.247 8.695 -0.448 18214 675 1 3 . 1 1 6 6 ASN N N 6 119.267 119.267 121.298 -2.031 18214 676 1 3 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.787 -0.123 18214 677 1 3 . 1 1 6 6 ASN C C 6 175.478 175.478 174.683 0.795 18214 678 1 3 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.050 0.320 18214 679 1 3 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.961 -0.441 18214 680 1 3 . 1 1 6 6 ASN H H 6 8.320 8.320 8.495 -0.175 18214 681 1 3 . 1 1 7 7 THR N N 7 114.228 114.228 114.678 -0.450 18214 682 1 3 . 1 1 7 7 THR HA H 7 4.179 4.179 4.226 -0.047 18214 683 1 3 . 1 1 7 7 THR C C 7 174.476 174.476 174.516 -0.040 18214 684 1 3 . 1 1 7 7 THR CA C 7 62.340 62.340 62.965 -0.625 18214 685 1 3 . 1 1 7 7 THR CB C 7 69.650 69.650 68.264 1.385 18214 686 1 3 . 1 1 7 7 THR H H 7 8.111 8.111 8.207 -0.096 18214 687 1 3 . 1 1 8 8 GLU N N 8 122.962 122.962 124.570 -1.608 18214 688 1 3 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.545 -0.322 18214 689 1 3 . 1 1 8 8 GLU C C 8 176.020 176.020 175.488 0.532 18214 690 1 3 . 1 1 8 8 GLU CA C 8 56.230 56.230 54.780 1.450 18214 691 1 3 . 1 1 8 8 GLU CB C 8 30.260 30.260 31.784 -1.524 18214 692 1 3 . 1 1 8 8 GLU H H 8 8.256 8.256 8.271 -0.015 18214 693 1 3 . 1 1 9 9 LEU N N 9 124.766 124.766 123.762 1.004 18214 694 1 3 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.490 -0.007 18214 695 1 3 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.872 -0.702 18214 696 1 3 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.474 0.116 18214 697 1 3 . 1 1 9 9 LEU H H 9 8.130 8.130 8.432 -0.302 18214 698 1 3 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.548 -0.256 18214 699 1 3 . 1 1 10 10 PRO C C 10 176.337 176.337 175.783 0.554 18214 700 1 3 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.722 -0.872 18214 701 1 3 . 1 1 10 10 PRO CB C 10 31.920 31.920 30.623 1.297 18214 702 1 3 . 1 1 11 11 HIS N N 11 120.147 120.147 120.690 -0.543 18214 703 1 3 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.785 0.040 18214 704 1 3 . 1 1 11 11 HIS CA C 11 53.430 53.430 53.978 -0.548 18214 705 1 3 . 1 1 11 11 HIS CB C 11 29.370 29.370 32.927 -3.557 18214 706 1 3 . 1 1 11 11 HIS H H 11 8.329 8.329 8.017 0.312 18214 707 1 3 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.655 -0.328 18214 708 1 3 . 1 1 12 12 PRO C C 12 176.731 176.731 176.321 0.410 18214 709 1 3 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.570 0.620 18214 710 1 3 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.886 -0.776 18214 711 1 3 . 1 1 13 13 LYS N N 13 121.927 121.927 120.921 1.006 18214 712 1 3 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.269 -0.068 18214 713 1 3 . 1 1 13 13 LYS C C 13 176.622 176.622 176.051 0.571 18214 714 1 3 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.362 0.238 18214 715 1 3 . 1 1 13 13 LYS CB C 13 33.020 33.020 31.006 2.014 18214 716 1 3 . 1 1 13 13 LYS H H 13 8.472 8.472 8.505 -0.033 18214 717 1 3 . 1 1 14 14 GLU N N 14 122.532 122.532 123.192 -0.660 18214 718 1 3 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.218 -0.013 18214 719 1 3 . 1 1 14 14 GLU C C 14 176.326 176.326 176.511 -0.185 18214 720 1 3 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.213 0.357 18214 721 1 3 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.039 0.061 18214 722 1 3 . 1 1 14 14 GLU H H 14 8.442 8.442 8.198 0.244 18214 723 1 3 . 1 1 15 15 ILE N N 15 121.207 121.207 127.411 -6.204 18214 724 1 3 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.010 0.057 18214 725 1 3 . 1 1 15 15 ILE C C 15 175.680 175.680 175.485 0.195 18214 726 1 3 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.498 -0.538 18214 727 1 3 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.573 1.277 18214 728 1 3 . 1 1 15 15 ILE H H 15 8.068 8.068 8.568 -0.500 18214 729 1 3 . 1 1 16 16 ASP N N 16 124.246 124.246 128.404 -4.158 18214 730 1 3 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.768 -0.244 18214 731 1 3 . 1 1 16 16 ASP C C 16 175.965 175.965 174.917 1.048 18214 732 1 3 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.828 0.722 18214 733 1 3 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.925 -0.955 18214 734 1 3 . 1 1 16 16 ASP H H 16 8.284 8.284 8.215 0.069 18214 735 1 3 . 1 1 17 17 ASN N N 17 119.667 119.667 122.266 -2.599 18214 736 1 3 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.755 -0.178 18214 737 1 3 . 1 1 17 17 ASN C C 17 175.417 175.417 175.373 0.044 18214 738 1 3 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.158 0.532 18214 739 1 3 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.061 -0.261 18214 740 1 3 . 1 1 17 17 ASN H H 17 8.317 8.317 8.587 -0.270 18214 741 1 3 . 1 1 18 18 GLU N N 18 120.842 120.842 123.688 -2.846 18214 742 1 3 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.487 -0.290 18214 743 1 3 . 1 1 18 18 GLU C C 18 176.704 176.704 176.192 0.512 18214 744 1 3 . 1 1 18 18 GLU CA C 18 56.770 56.770 55.352 1.418 18214 745 1 3 . 1 1 18 18 GLU CB C 18 30.100 30.100 28.883 1.217 18214 746 1 3 . 1 1 18 18 GLU H H 18 8.407 8.407 8.678 -0.271 18214 747 1 3 . 1 1 19 19 THR N N 19 115.248 115.248 116.092 -0.844 18214 748 1 3 . 1 1 19 19 THR HA H 19 4.177 4.177 4.199 -0.022 18214 749 1 3 . 1 1 19 19 THR C C 19 174.186 174.186 175.242 -1.056 18214 750 1 3 . 1 1 19 19 THR CA C 19 62.250 62.250 62.282 -0.033 18214 751 1 3 . 1 1 19 19 THR CB C 19 69.650 69.650 69.718 -0.068 18214 752 1 3 . 1 1 19 19 THR H H 19 8.074 8.074 7.810 0.264 18214 753 1 3 . 1 1 20 20 LEU N N 20 124.826 124.826 124.639 0.187 18214 754 1 3 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.390 -0.126 18214 755 1 3 . 1 1 20 20 LEU C C 20 176.698 176.698 177.185 -0.487 18214 756 1 3 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.804 -0.224 18214 757 1 3 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.273 -0.163 18214 758 1 3 . 1 1 20 20 LEU H H 20 8.074 8.074 8.298 -0.224 18214 759 1 3 . 1 1 21 21 LEU N N 21 124.466 124.466 122.269 2.197 18214 760 1 3 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.657 -0.145 18214 761 1 3 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.993 -0.413 18214 762 1 3 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.821 0.039 18214 763 1 3 . 1 1 21 21 LEU H H 21 8.088 8.088 8.230 -0.142 18214 764 1 3 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.563 -0.271 18214 765 1 3 . 1 1 22 22 PRO C C 22 176.540 176.540 177.150 -0.610 18214 766 1 3 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.576 0.334 18214 767 1 3 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.252 -0.122 18214 768 1 3 . 1 1 23 23 ALA N N 23 124.451 124.451 125.184 -0.733 18214 769 1 3 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.282 -0.124 18214 770 1 3 . 1 1 23 23 ALA C C 23 177.005 177.005 176.302 0.703 18214 771 1 3 . 1 1 23 23 ALA CA C 23 52.230 52.230 52.974 -0.744 18214 772 1 3 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.392 -0.082 18214 773 1 3 . 1 1 23 23 ALA H H 23 8.314 8.314 8.537 -0.223 18214 774 1 3 . 1 1 24 24 ALA N N 24 121.792 121.792 119.434 2.358 18214 775 1 3 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.476 -0.220 18214 776 1 3 . 1 1 24 24 ALA C C 24 177.065 177.065 175.161 1.904 18214 777 1 3 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.633 0.217 18214 778 1 3 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.813 -0.513 18214 779 1 3 . 1 1 24 24 ALA H H 24 7.994 7.994 7.786 0.208 18214 780 1 3 . 1 1 25 25 GLU N N 25 120.287 120.287 119.952 0.335 18214 781 1 3 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.314 -0.188 18214 782 1 3 . 1 1 25 25 GLU C C 25 176.233 176.233 176.684 -0.451 18214 783 1 3 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.715 1.095 18214 784 1 3 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.884 0.357 18214 785 1 3 . 1 1 25 25 GLU H H 25 8.404 8.404 8.647 -0.243 18214 786 1 3 . 1 1 26 26 ARG N N 26 123.246 123.246 122.593 0.653 18214 787 1 3 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.343 -0.008 18214 788 1 3 . 1 1 26 26 ARG C C 26 174.514 174.514 175.209 -0.695 18214 789 1 3 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.015 1.165 18214 790 1 3 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.481 1.859 18214 791 1 3 . 1 1 26 26 ARG H H 26 8.598 8.598 8.031 0.567 18214 792 1 3 . 1 1 27 27 ARG N N 27 123.563 123.563 127.520 -3.957 18214 793 1 3 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.484 0.960 18214 794 1 3 . 1 1 27 27 ARG C C 27 175.308 175.308 175.926 -0.618 18214 795 1 3 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.465 -2.295 18214 796 1 3 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.726 4.774 18214 797 1 3 . 1 1 27 27 ARG H H 27 8.230 8.230 8.241 -0.011 18214 798 1 3 . 1 1 28 28 VAL N N 28 120.927 120.927 120.388 0.539 18214 799 1 3 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.565 -0.130 18214 800 1 3 . 1 1 28 28 VAL C C 28 173.178 173.178 174.329 -1.151 18214 801 1 3 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.239 0.551 18214 802 1 3 . 1 1 28 28 VAL CB C 28 35.510 35.510 36.212 -0.702 18214 803 1 3 . 1 1 28 28 VAL H H 28 9.062 9.062 8.759 0.303 18214 804 1 3 . 1 1 29 29 ASN N N 29 124.526 124.526 122.490 2.036 18214 805 1 3 . 1 1 29 29 ASN HA H 29 5.153 5.153 5.131 0.022 18214 806 1 3 . 1 1 29 29 ASN C C 29 177.848 177.848 177.445 0.403 18214 807 1 3 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.435 -0.275 18214 808 1 3 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.293 0.797 18214 809 1 3 . 1 1 29 29 ASN H H 29 8.779 8.779 8.602 0.177 18214 810 1 3 . 1 1 30 30 SER N N 30 123.081 123.081 117.230 5.851 18214 811 1 3 . 1 1 30 30 SER HA H 30 3.730 3.730 3.987 -0.257 18214 812 1 3 . 1 1 30 30 SER C C 30 175.833 175.833 176.581 -0.748 18214 813 1 3 . 1 1 30 30 SER CA C 30 62.010 62.010 62.005 0.005 18214 814 1 3 . 1 1 30 30 SER CB C 30 60.920 60.920 62.725 -1.805 18214 815 1 3 . 1 1 30 30 SER H H 30 9.338 9.338 8.426 0.912 18214 816 1 3 . 1 1 31 31 GLN N N 31 122.307 122.307 120.668 1.639 18214 817 1 3 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.104 -0.071 18214 818 1 3 . 1 1 31 31 GLN C C 31 177.569 177.569 176.548 1.021 18214 819 1 3 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.333 0.417 18214 820 1 3 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.472 -0.662 18214 821 1 3 . 1 1 31 31 GLN H H 31 8.938 8.938 8.535 0.403 18214 822 1 3 . 1 1 32 32 ALA N N 32 119.987 119.987 120.595 -0.608 18214 823 1 3 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.579 -0.351 18214 824 1 3 . 1 1 32 32 ALA C C 32 177.908 177.908 178.066 -0.158 18214 825 1 3 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.064 1.946 18214 826 1 3 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.500 0.390 18214 827 1 3 . 1 1 32 32 ALA H H 32 7.477 7.477 7.616 -0.139 18214 828 1 3 . 1 1 33 33 LEU N N 33 117.867 117.867 117.255 0.612 18214 829 1 3 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.015 0.107 18214 830 1 3 . 1 1 33 33 LEU C C 33 176.348 176.348 176.434 -0.086 18214 831 1 3 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.059 -0.779 18214 832 1 3 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.211 2.459 18214 833 1 3 . 1 1 33 33 LEU H H 33 7.269 7.269 7.358 -0.089 18214 834 1 3 . 1 1 34 34 LEU N N 34 114.642 114.642 113.938 0.704 18214 835 1 3 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.586 -0.886 18214 836 1 3 . 1 1 34 34 LEU C C 34 177.870 177.870 177.870 0.000 18214 837 1 3 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.233 1.167 18214 838 1 3 . 1 1 34 34 LEU CB C 34 42.350 42.350 44.146 -1.796 18214 839 1 3 . 1 1 34 34 LEU H H 34 7.915 7.915 7.578 0.337 18214 840 1 3 . 1 1 35 35 GLY N N 35 104.529 104.529 108.567 -4.038 18214 841 1 3 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.303 -0.693 18214 842 1 3 . 1 1 35 35 GLY H H 35 7.650 7.650 8.202 -0.552 18214 843 1 3 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.566 -0.243 18214 844 1 3 . 1 1 36 36 PRO C C 36 177.043 177.043 176.109 0.934 18214 845 1 3 . 1 1 36 36 PRO CA C 36 64.680 64.680 63.543 1.137 18214 846 1 3 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.921 -0.361 18214 847 1 3 . 1 1 37 37 ASP N N 37 115.648 115.648 119.636 -3.988 18214 848 1 3 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.585 -0.089 18214 849 1 3 . 1 1 37 37 ASP C C 37 177.279 177.279 177.321 -0.042 18214 850 1 3 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.792 -1.582 18214 851 1 3 . 1 1 37 37 ASP CB C 37 40.190 40.190 42.603 -2.413 18214 852 1 3 . 1 1 37 37 ASP H H 37 8.500 8.500 7.778 0.722 18214 853 1 3 . 1 1 38 38 GLY N N 38 107.249 107.249 108.354 -1.105 18214 854 1 3 . 1 1 38 38 GLY C C 38 172.445 172.445 173.281 -0.836 18214 855 1 3 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.131 1.989 18214 856 1 3 . 1 1 38 38 GLY H H 38 8.084 8.084 8.167 -0.083 18214 857 1 3 . 1 1 39 39 LYS N N 39 115.188 115.188 121.361 -6.173 18214 858 1 3 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.325 0.064 18214 859 1 3 . 1 1 39 39 LYS C C 39 175.182 175.182 175.198 -0.016 18214 860 1 3 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.104 -0.194 18214 861 1 3 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.234 2.646 18214 862 1 3 . 1 1 39 39 LYS H H 39 7.244 7.244 7.993 -0.749 18214 863 1 3 . 1 1 40 40 VAL N N 40 120.767 120.767 116.033 4.734 18214 864 1 3 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.803 -0.441 18214 865 1 3 . 1 1 40 40 VAL C C 40 171.344 171.344 174.163 -2.819 18214 866 1 3 . 1 1 40 40 VAL CA C 40 61.340 61.340 58.913 2.426 18214 867 1 3 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.941 -0.811 18214 868 1 3 . 1 1 40 40 VAL H H 40 8.914 8.914 8.559 0.355 18214 869 1 3 . 1 1 41 41 ILE N N 41 127.866 127.866 120.247 7.619 18214 870 1 3 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.328 0.401 18214 871 1 3 . 1 1 41 41 ILE C C 41 175.237 175.237 175.171 0.066 18214 872 1 3 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.698 -0.788 18214 873 1 3 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.098 1.102 18214 874 1 3 . 1 1 41 41 ILE H H 41 8.114 8.114 8.161 -0.047 18214 875 1 3 . 1 1 42 42 ILE N N 42 126.986 126.986 129.965 -2.979 18214 876 1 3 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.544 0.256 18214 877 1 3 . 1 1 42 42 ILE C C 42 175.187 175.187 175.134 0.053 18214 878 1 3 . 1 1 42 42 ILE CA C 42 58.830 58.830 59.969 -1.139 18214 879 1 3 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.532 2.278 18214 880 1 3 . 1 1 42 42 ILE H H 42 9.249 9.249 8.665 0.584 18214 881 1 3 . 1 1 43 43 ASP N N 43 127.951 127.951 129.914 -1.963 18214 882 1 3 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.962 0.009 18214 883 1 3 . 1 1 43 43 ASP C C 43 175.505 175.505 174.986 0.519 18214 884 1 3 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.721 0.249 18214 885 1 3 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.457 -0.247 18214 886 1 3 . 1 1 43 43 ASP H H 43 8.800 8.800 8.632 0.168 18214 887 1 3 . 1 1 44 44 HIS N N 44 126.451 126.451 126.313 0.138 18214 888 1 3 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.802 0.394 18214 889 1 3 . 1 1 44 44 HIS C C 44 174.492 174.492 174.128 0.364 18214 890 1 3 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.324 -1.664 18214 891 1 3 . 1 1 44 44 HIS CB C 44 33.900 33.900 33.152 0.748 18214 892 1 3 . 1 1 44 44 HIS H H 44 9.194 9.194 8.535 0.659 18214 893 1 3 . 1 1 45 45 ASN N N 45 126.311 126.311 123.908 2.403 18214 894 1 3 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.256 -0.116 18214 895 1 3 . 1 1 45 45 ASN C C 45 174.892 174.892 175.161 -0.269 18214 896 1 3 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.517 0.143 18214 897 1 3 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.939 -0.749 18214 898 1 3 . 1 1 45 45 ASN H H 45 9.057 9.057 8.799 0.258 18214 899 1 3 . 1 1 46 46 GLY N N 46 105.469 105.469 102.596 2.873 18214 900 1 3 . 1 1 46 46 GLY C C 46 173.945 173.945 174.389 -0.444 18214 901 1 3 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.013 0.427 18214 902 1 3 . 1 1 46 46 GLY H H 46 8.686 8.686 8.507 0.179 18214 903 1 3 . 1 1 47 47 GLN N N 47 120.007 120.007 118.735 1.272 18214 904 1 3 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.635 -0.166 18214 905 1 3 . 1 1 47 47 GLN C C 47 174.656 174.656 173.679 0.977 18214 906 1 3 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.111 0.039 18214 907 1 3 . 1 1 47 47 GLN CB C 47 31.070 31.070 31.831 -0.761 18214 908 1 3 . 1 1 47 47 GLN H H 47 7.841 7.841 7.739 0.102 18214 909 1 3 . 1 1 48 48 GLU N N 48 123.081 123.081 118.671 4.410 18214 910 1 3 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.081 -0.342 18214 911 1 3 . 1 1 48 48 GLU C C 48 175.877 175.877 174.925 0.952 18214 912 1 3 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.336 1.834 18214 913 1 3 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.634 -1.904 18214 914 1 3 . 1 1 48 48 GLU H H 48 8.505 8.505 8.447 0.058 18214 915 1 3 . 1 1 49 49 TYR N N 49 124.226 124.226 118.592 5.634 18214 916 1 3 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.894 -0.134 18214 917 1 3 . 1 1 49 49 TYR C C 49 174.098 174.098 174.763 -0.665 18214 918 1 3 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.577 1.283 18214 919 1 3 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.346 1.174 18214 920 1 3 . 1 1 49 49 TYR H H 49 9.086 9.086 8.327 0.759 18214 921 1 3 . 1 1 50 50 LEU N N 50 123.506 123.506 127.065 -3.559 18214 922 1 3 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.856 -0.015 18214 923 1 3 . 1 1 50 50 LEU C C 50 174.459 174.459 175.205 -0.746 18214 924 1 3 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.593 -0.753 18214 925 1 3 . 1 1 50 50 LEU CB C 50 43.930 43.930 41.912 2.018 18214 926 1 3 . 1 1 50 50 LEU H H 50 9.147 9.147 8.644 0.503 18214 927 1 3 . 1 1 51 51 LEU N N 51 129.785 129.785 130.252 -0.467 18214 928 1 3 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.160 0.073 18214 929 1 3 . 1 1 51 51 LEU C C 51 174.246 174.246 174.298 -0.052 18214 930 1 3 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.065 -0.125 18214 931 1 3 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.359 -0.469 18214 932 1 3 . 1 1 51 51 LEU H H 51 8.803 8.803 8.686 0.117 18214 933 1 3 . 1 1 52 52 ARG N N 52 121.867 121.867 125.184 -3.317 18214 934 1 3 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.184 0.108 18214 935 1 3 . 1 1 52 52 ARG C C 52 173.561 173.561 175.396 -1.835 18214 936 1 3 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.426 -0.206 18214 937 1 3 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.034 1.526 18214 938 1 3 . 1 1 52 52 ARG H H 52 8.740 8.740 8.680 0.060 18214 939 1 3 . 1 1 53 53 LYS N N 53 118.467 118.467 127.903 -9.436 18214 940 1 3 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.642 0.518 18214 941 1 3 . 1 1 53 53 LYS C C 53 176.879 176.879 176.949 -0.070 18214 942 1 3 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.142 -2.482 18214 943 1 3 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.593 2.207 18214 944 1 3 . 1 1 53 53 LYS H H 53 7.912 7.912 8.247 -0.335 18214 945 1 3 . 1 1 54 54 THR N N 54 114.428 114.428 116.431 -2.003 18214 946 1 3 . 1 1 54 54 THR HA H 54 4.703 4.703 4.293 0.410 18214 947 1 3 . 1 1 54 54 THR CA C 54 59.430 59.430 61.522 -2.092 18214 948 1 3 . 1 1 54 54 THR CB C 54 71.730 71.730 70.121 1.609 18214 949 1 3 . 1 1 54 54 THR H H 54 8.753 8.753 8.286 0.467 18214 950 1 3 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.265 0.090 18214 951 1 3 . 1 1 56 56 ALA C C 56 177.569 177.569 177.891 -0.322 18214 952 1 3 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.042 -0.012 18214 953 1 3 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.788 0.112 18214 954 1 3 . 1 1 57 57 GLY N N 57 106.509 106.509 106.512 -0.003 18214 955 1 3 . 1 1 57 57 GLY C C 57 174.678 174.678 174.006 0.672 18214 956 1 3 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.077 0.523 18214 957 1 3 . 1 1 57 57 GLY H H 57 7.961 7.961 7.902 0.059 18214 958 1 3 . 1 1 58 58 LYS N N 58 118.787 118.787 118.543 0.244 18214 959 1 3 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.636 -0.008 18214 960 1 3 . 1 1 58 58 LYS C C 58 174.755 174.755 174.842 -0.087 18214 961 1 3 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.146 0.514 18214 962 1 3 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.576 -2.626 18214 963 1 3 . 1 1 58 58 LYS H H 58 7.064 7.064 7.877 -0.813 18214 964 1 3 . 1 1 59 59 LEU N N 59 117.082 117.082 120.029 -2.947 18214 965 1 3 . 1 1 59 59 LEU HA H 59 4.780 4.780 4.823 -0.043 18214 966 1 3 . 1 1 59 59 LEU C C 59 174.903 174.903 176.166 -1.263 18214 967 1 3 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.740 -0.620 18214 968 1 3 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.555 0.535 18214 969 1 3 . 1 1 59 59 LEU H H 59 6.661 6.661 8.331 -1.670 18214 970 1 3 . 1 1 60 60 LEU N N 60 121.360 121.360 126.259 -4.899 18214 971 1 3 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.665 -0.310 18214 972 1 3 . 1 1 60 60 LEU C C 60 174.005 174.005 174.562 -0.557 18214 973 1 3 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.116 -0.286 18214 974 1 3 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.446 2.594 18214 975 1 3 . 1 1 60 60 LEU H H 60 8.457 8.457 8.617 -0.160 18214 976 1 3 . 1 1 61 61 LEU N N 61 127.886 127.886 130.329 -2.443 18214 977 1 3 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.898 0.548 18214 978 1 3 . 1 1 61 61 LEU C C 61 175.910 175.910 176.542 -0.632 18214 979 1 3 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.151 -0.871 18214 980 1 3 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.286 4.684 18214 981 1 3 . 1 1 61 61 LEU H H 61 8.556 8.556 8.661 -0.105 18214 982 1 3 . 1 1 62 62 THR N N 62 120.607 120.607 120.094 0.513 18214 983 1 3 . 1 1 62 62 THR HA H 62 4.749 4.749 4.703 0.046 18214 984 1 3 . 1 1 62 62 THR C C 62 171.903 171.903 173.518 -1.615 18214 985 1 3 . 1 1 62 62 THR CA C 62 60.240 60.240 60.685 -0.445 18214 986 1 3 . 1 1 62 62 THR CB C 62 71.970 71.970 71.812 0.158 18214 987 1 3 . 1 1 62 62 THR H H 62 9.281 9.281 9.086 0.195 18214 988 1 4 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.443 -0.157 18214 989 1 4 . 1 1 3 3 ARG C C 3 176.261 176.261 176.876 -0.615 18214 990 1 4 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.047 0.183 18214 991 1 4 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.807 -0.047 18214 992 1 4 . 1 1 4 4 MET N N 4 121.127 121.127 122.991 -1.864 18214 993 1 4 . 1 1 4 4 MET HA H 4 4.392 4.392 4.591 -0.199 18214 994 1 4 . 1 1 4 4 MET C C 4 175.779 175.779 176.035 -0.256 18214 995 1 4 . 1 1 4 4 MET CA C 4 55.440 55.440 53.807 1.633 18214 996 1 4 . 1 1 4 4 MET CB C 4 32.820 32.820 31.225 1.595 18214 997 1 4 . 1 1 4 4 MET H H 4 8.318 8.318 8.563 -0.245 18214 998 1 4 . 1 1 5 5 ASP N N 5 121.087 121.087 121.846 -0.759 18214 999 1 4 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.494 0.028 18214 1000 1 4 . 1 1 5 5 ASP C C 5 175.850 175.850 175.624 0.226 18214 1001 1 4 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.379 -0.159 18214 1002 1 4 . 1 1 5 5 ASP CB C 5 41.200 41.200 40.717 0.483 18214 1003 1 4 . 1 1 5 5 ASP H H 5 8.247 8.247 8.786 -0.539 18214 1004 1 4 . 1 1 6 6 ASN N N 6 119.267 119.267 118.700 0.567 18214 1005 1 4 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.496 0.168 18214 1006 1 4 . 1 1 6 6 ASN C C 6 175.478 175.478 174.679 0.799 18214 1007 1 4 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.971 -0.601 18214 1008 1 4 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.605 -0.085 18214 1009 1 4 . 1 1 6 6 ASN H H 6 8.320 8.320 7.961 0.359 18214 1010 1 4 . 1 1 7 7 THR N N 7 114.228 114.228 116.388 -2.160 18214 1011 1 4 . 1 1 7 7 THR HA H 7 4.179 4.179 4.305 -0.126 18214 1012 1 4 . 1 1 7 7 THR C C 7 174.476 174.476 173.693 0.783 18214 1013 1 4 . 1 1 7 7 THR CA C 7 62.340 62.340 62.002 0.338 18214 1014 1 4 . 1 1 7 7 THR CB C 7 69.650 69.650 69.643 0.007 18214 1015 1 4 . 1 1 7 7 THR H H 7 8.111 8.111 8.060 0.051 18214 1016 1 4 . 1 1 8 8 GLU N N 8 122.962 122.962 127.550 -4.588 18214 1017 1 4 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.718 -0.495 18214 1018 1 4 . 1 1 8 8 GLU C C 8 176.020 176.020 175.787 0.233 18214 1019 1 4 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.508 0.722 18214 1020 1 4 . 1 1 8 8 GLU CB C 8 30.260 30.260 29.554 0.706 18214 1021 1 4 . 1 1 8 8 GLU H H 8 8.256 8.256 8.687 -0.431 18214 1022 1 4 . 1 1 9 9 LEU N N 9 124.766 124.766 124.144 0.622 18214 1023 1 4 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.688 -0.205 18214 1024 1 4 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.021 0.149 18214 1025 1 4 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.411 0.179 18214 1026 1 4 . 1 1 9 9 LEU H H 9 8.130 8.130 8.314 -0.184 18214 1027 1 4 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.350 -0.058 18214 1028 1 4 . 1 1 10 10 PRO C C 10 176.337 176.337 175.451 0.886 18214 1029 1 4 . 1 1 10 10 PRO CA C 10 62.850 62.850 64.137 -1.287 18214 1030 1 4 . 1 1 10 10 PRO CB C 10 31.920 31.920 31.814 0.106 18214 1031 1 4 . 1 1 11 11 HIS N N 11 120.147 120.147 119.342 0.805 18214 1032 1 4 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.767 0.058 18214 1033 1 4 . 1 1 11 11 HIS CA C 11 53.430 53.430 53.879 -0.449 18214 1034 1 4 . 1 1 11 11 HIS CB C 11 29.370 29.370 28.913 0.457 18214 1035 1 4 . 1 1 11 11 HIS H H 11 8.329 8.329 7.855 0.474 18214 1036 1 4 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.344 -0.017 18214 1037 1 4 . 1 1 12 12 PRO C C 12 176.731 176.731 175.822 0.909 18214 1038 1 4 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.998 0.192 18214 1039 1 4 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.336 -0.226 18214 1040 1 4 . 1 1 13 13 LYS N N 13 121.927 121.927 123.454 -1.527 18214 1041 1 4 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.170 0.031 18214 1042 1 4 . 1 1 13 13 LYS C C 13 176.622 176.622 176.850 -0.228 18214 1043 1 4 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.265 0.335 18214 1044 1 4 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.343 -0.323 18214 1045 1 4 . 1 1 13 13 LYS H H 13 8.472 8.472 8.166 0.306 18214 1046 1 4 . 1 1 14 14 GLU N N 14 122.532 122.532 123.955 -1.423 18214 1047 1 4 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.289 -0.084 18214 1048 1 4 . 1 1 14 14 GLU C C 14 176.326 176.326 176.696 -0.370 18214 1049 1 4 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.663 -0.093 18214 1050 1 4 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.375 0.725 18214 1051 1 4 . 1 1 14 14 GLU H H 14 8.442 8.442 8.622 -0.180 18214 1052 1 4 . 1 1 15 15 ILE N N 15 121.207 121.207 127.515 -6.308 18214 1053 1 4 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.164 -0.097 18214 1054 1 4 . 1 1 15 15 ILE C C 15 175.680 175.680 175.574 0.106 18214 1055 1 4 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.926 0.034 18214 1056 1 4 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.666 1.184 18214 1057 1 4 . 1 1 15 15 ILE H H 15 8.068 8.068 8.406 -0.338 18214 1058 1 4 . 1 1 16 16 ASP N N 16 124.246 124.246 127.161 -2.915 18214 1059 1 4 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.735 -0.211 18214 1060 1 4 . 1 1 16 16 ASP C C 16 175.965 175.965 176.006 -0.041 18214 1061 1 4 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.136 1.414 18214 1062 1 4 . 1 1 16 16 ASP CB C 16 40.970 40.970 42.740 -1.770 18214 1063 1 4 . 1 1 16 16 ASP H H 16 8.284 8.284 8.423 -0.139 18214 1064 1 4 . 1 1 17 17 ASN N N 17 119.667 119.667 122.472 -2.805 18214 1065 1 4 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.604 -0.027 18214 1066 1 4 . 1 1 17 17 ASN C C 17 175.417 175.417 175.421 -0.004 18214 1067 1 4 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.489 0.202 18214 1068 1 4 . 1 1 17 17 ASN CB C 17 38.800 38.800 37.756 1.044 18214 1069 1 4 . 1 1 17 17 ASN H H 17 8.317 8.317 8.703 -0.386 18214 1070 1 4 . 1 1 18 18 GLU N N 18 120.842 120.842 122.801 -1.959 18214 1071 1 4 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.288 -0.091 18214 1072 1 4 . 1 1 18 18 GLU C C 18 176.704 176.704 176.669 0.035 18214 1073 1 4 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.561 0.209 18214 1074 1 4 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.635 0.465 18214 1075 1 4 . 1 1 18 18 GLU H H 18 8.407 8.407 8.093 0.314 18214 1076 1 4 . 1 1 19 19 THR N N 19 115.248 115.248 116.743 -1.495 18214 1077 1 4 . 1 1 19 19 THR HA H 19 4.177 4.177 4.197 -0.020 18214 1078 1 4 . 1 1 19 19 THR C C 19 174.186 174.186 174.889 -0.703 18214 1079 1 4 . 1 1 19 19 THR CA C 19 62.250 62.250 63.157 -0.907 18214 1080 1 4 . 1 1 19 19 THR CB C 19 69.650 69.650 69.451 0.199 18214 1081 1 4 . 1 1 19 19 THR H H 19 8.074 8.074 7.832 0.242 18214 1082 1 4 . 1 1 20 20 LEU N N 20 124.826 124.826 126.630 -1.804 18214 1083 1 4 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.266 -0.002 18214 1084 1 4 . 1 1 20 20 LEU C C 20 176.698 176.698 176.792 -0.094 18214 1085 1 4 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.615 -0.035 18214 1086 1 4 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.397 -0.287 18214 1087 1 4 . 1 1 20 20 LEU H H 20 8.074 8.074 8.475 -0.401 18214 1088 1 4 . 1 1 21 21 LEU N N 21 124.466 124.466 122.909 1.557 18214 1089 1 4 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.703 -0.191 18214 1090 1 4 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.204 -0.624 18214 1091 1 4 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.627 0.233 18214 1092 1 4 . 1 1 21 21 LEU H H 21 8.088 8.088 8.157 -0.069 18214 1093 1 4 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.532 -0.240 18214 1094 1 4 . 1 1 22 22 PRO C C 22 176.540 176.540 176.855 -0.315 18214 1095 1 4 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.575 0.335 18214 1096 1 4 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.106 0.024 18214 1097 1 4 . 1 1 23 23 ALA N N 23 124.451 124.451 125.030 -0.579 18214 1098 1 4 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.061 0.097 18214 1099 1 4 . 1 1 23 23 ALA C C 23 177.005 177.005 176.051 0.954 18214 1100 1 4 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.962 -1.732 18214 1101 1 4 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.322 -0.012 18214 1102 1 4 . 1 1 23 23 ALA H H 23 8.314 8.314 8.642 -0.328 18214 1103 1 4 . 1 1 24 24 ALA N N 24 121.792 121.792 117.122 4.670 18214 1104 1 4 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.408 -0.152 18214 1105 1 4 . 1 1 24 24 ALA C C 24 177.065 177.065 175.827 1.238 18214 1106 1 4 . 1 1 24 24 ALA CA C 24 51.850 51.850 52.170 -0.320 18214 1107 1 4 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.410 -0.110 18214 1108 1 4 . 1 1 24 24 ALA H H 24 7.994 7.994 7.747 0.247 18214 1109 1 4 . 1 1 25 25 GLU N N 25 120.287 120.287 120.703 -0.416 18214 1110 1 4 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.276 -0.150 18214 1111 1 4 . 1 1 25 25 GLU C C 25 176.233 176.233 176.056 0.177 18214 1112 1 4 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.178 1.633 18214 1113 1 4 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.692 0.548 18214 1114 1 4 . 1 1 25 25 GLU H H 25 8.404 8.404 8.365 0.039 18214 1115 1 4 . 1 1 26 26 ARG N N 26 123.246 123.246 121.726 1.520 18214 1116 1 4 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.301 0.034 18214 1117 1 4 . 1 1 26 26 ARG C C 26 174.514 174.514 175.314 -0.800 18214 1118 1 4 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.197 0.983 18214 1119 1 4 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.497 1.843 18214 1120 1 4 . 1 1 26 26 ARG H H 26 8.598 8.598 7.955 0.643 18214 1121 1 4 . 1 1 27 27 ARG N N 27 123.563 123.563 127.437 -3.874 18214 1122 1 4 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.600 0.844 18214 1123 1 4 . 1 1 27 27 ARG C C 27 175.308 175.308 176.104 -0.796 18214 1124 1 4 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.971 -1.801 18214 1125 1 4 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.391 5.109 18214 1126 1 4 . 1 1 27 27 ARG H H 27 8.230 8.230 8.204 0.026 18214 1127 1 4 . 1 1 28 28 VAL N N 28 120.927 120.927 119.099 1.828 18214 1128 1 4 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.548 -0.113 18214 1129 1 4 . 1 1 28 28 VAL C C 28 173.178 173.178 174.468 -1.290 18214 1130 1 4 . 1 1 28 28 VAL CA C 28 59.790 59.790 58.743 1.047 18214 1131 1 4 . 1 1 28 28 VAL CB C 28 35.510 35.510 36.205 -0.695 18214 1132 1 4 . 1 1 28 28 VAL H H 28 9.062 9.062 8.381 0.681 18214 1133 1 4 . 1 1 29 29 ASN N N 29 124.526 124.526 120.441 4.085 18214 1134 1 4 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.840 0.313 18214 1135 1 4 . 1 1 29 29 ASN C C 29 177.848 177.848 177.385 0.463 18214 1136 1 4 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.770 -0.610 18214 1137 1 4 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.249 0.841 18214 1138 1 4 . 1 1 29 29 ASN H H 29 8.779 8.779 8.510 0.269 18214 1139 1 4 . 1 1 30 30 SER N N 30 123.081 123.081 118.329 4.752 18214 1140 1 4 . 1 1 30 30 SER HA H 30 3.730 3.730 4.113 -0.383 18214 1141 1 4 . 1 1 30 30 SER C C 30 175.833 175.833 176.430 -0.597 18214 1142 1 4 . 1 1 30 30 SER CA C 30 62.010 62.010 61.447 0.563 18214 1143 1 4 . 1 1 30 30 SER CB C 30 60.920 60.920 63.025 -2.105 18214 1144 1 4 . 1 1 30 30 SER H H 30 9.338 9.338 8.433 0.905 18214 1145 1 4 . 1 1 31 31 GLN N N 31 122.307 122.307 119.950 2.357 18214 1146 1 4 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.202 -0.169 18214 1147 1 4 . 1 1 31 31 GLN C C 31 177.569 177.569 176.277 1.292 18214 1148 1 4 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.026 0.724 18214 1149 1 4 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.217 -0.407 18214 1150 1 4 . 1 1 31 31 GLN H H 31 8.938 8.938 8.489 0.449 18214 1151 1 4 . 1 1 32 32 ALA N N 32 119.987 119.987 121.949 -1.962 18214 1152 1 4 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.625 -0.397 18214 1153 1 4 . 1 1 32 32 ALA C C 32 177.908 177.908 177.608 0.300 18214 1154 1 4 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.872 2.138 18214 1155 1 4 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.924 -0.034 18214 1156 1 4 . 1 1 32 32 ALA H H 32 7.477 7.477 7.706 -0.229 18214 1157 1 4 . 1 1 33 33 LEU N N 33 117.867 117.867 116.572 1.295 18214 1158 1 4 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.986 0.136 18214 1159 1 4 . 1 1 33 33 LEU C C 33 176.348 176.348 176.899 -0.551 18214 1160 1 4 . 1 1 33 33 LEU CA C 33 56.280 56.280 56.982 -0.702 18214 1161 1 4 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.072 2.598 18214 1162 1 4 . 1 1 33 33 LEU H H 33 7.269 7.269 7.316 -0.047 18214 1163 1 4 . 1 1 34 34 LEU N N 34 114.642 114.642 115.272 -0.630 18214 1164 1 4 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.550 -0.850 18214 1165 1 4 . 1 1 34 34 LEU C C 34 177.870 177.870 177.614 0.256 18214 1166 1 4 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.049 1.351 18214 1167 1 4 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.550 -1.200 18214 1168 1 4 . 1 1 34 34 LEU H H 34 7.915 7.915 7.611 0.304 18214 1169 1 4 . 1 1 35 35 GLY N N 35 104.529 104.529 107.549 -3.020 18214 1170 1 4 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.096 -0.486 18214 1171 1 4 . 1 1 35 35 GLY H H 35 7.650 7.650 7.876 -0.226 18214 1172 1 4 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.440 -0.117 18214 1173 1 4 . 1 1 36 36 PRO C C 36 177.043 177.043 176.174 0.869 18214 1174 1 4 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.535 0.145 18214 1175 1 4 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.840 -0.280 18214 1176 1 4 . 1 1 37 37 ASP N N 37 115.648 115.648 118.269 -2.621 18214 1177 1 4 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.651 -0.155 18214 1178 1 4 . 1 1 37 37 ASP C C 37 177.279 177.279 177.452 -0.173 18214 1179 1 4 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.420 -1.210 18214 1180 1 4 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.083 -0.893 18214 1181 1 4 . 1 1 37 37 ASP H H 37 8.500 8.500 8.120 0.380 18214 1182 1 4 . 1 1 38 38 GLY N N 38 107.249 107.249 106.932 0.317 18214 1183 1 4 . 1 1 38 38 GLY C C 38 172.445 172.445 173.450 -1.005 18214 1184 1 4 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.836 1.284 18214 1185 1 4 . 1 1 38 38 GLY H H 38 8.084 8.084 8.123 -0.039 18214 1186 1 4 . 1 1 39 39 LYS N N 39 115.188 115.188 118.956 -3.768 18214 1187 1 4 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.350 0.039 18214 1188 1 4 . 1 1 39 39 LYS C C 39 175.182 175.182 175.157 0.025 18214 1189 1 4 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.993 -0.083 18214 1190 1 4 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.339 2.541 18214 1191 1 4 . 1 1 39 39 LYS H H 39 7.244 7.244 7.315 -0.071 18214 1192 1 4 . 1 1 40 40 VAL N N 40 120.767 120.767 115.418 5.349 18214 1193 1 4 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.758 -0.396 18214 1194 1 4 . 1 1 40 40 VAL C C 40 171.344 171.344 174.307 -2.963 18214 1195 1 4 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.015 2.325 18214 1196 1 4 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.867 -0.737 18214 1197 1 4 . 1 1 40 40 VAL H H 40 8.914 8.914 8.611 0.303 18214 1198 1 4 . 1 1 41 41 ILE N N 41 127.866 127.866 119.969 7.897 18214 1199 1 4 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.750 -0.021 18214 1200 1 4 . 1 1 41 41 ILE C C 41 175.237 175.237 176.033 -0.796 18214 1201 1 4 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.414 -0.504 18214 1202 1 4 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.211 0.989 18214 1203 1 4 . 1 1 41 41 ILE H H 41 8.114 8.114 7.980 0.134 18214 1204 1 4 . 1 1 42 42 ILE N N 42 126.986 126.986 129.573 -2.587 18214 1205 1 4 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.262 0.538 18214 1206 1 4 . 1 1 42 42 ILE C C 42 175.187 175.187 174.787 0.400 18214 1207 1 4 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.374 -2.544 18214 1208 1 4 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.327 1.483 18214 1209 1 4 . 1 1 42 42 ILE H H 42 9.249 9.249 8.910 0.339 18214 1210 1 4 . 1 1 43 43 ASP N N 43 127.951 127.951 127.512 0.439 18214 1211 1 4 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.753 0.218 18214 1212 1 4 . 1 1 43 43 ASP C C 43 175.505 175.505 174.267 1.238 18214 1213 1 4 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.192 0.778 18214 1214 1 4 . 1 1 43 43 ASP CB C 43 42.210 42.210 43.042 -0.833 18214 1215 1 4 . 1 1 43 43 ASP H H 43 8.800 8.800 8.555 0.245 18214 1216 1 4 . 1 1 44 44 HIS N N 44 126.451 126.451 126.629 -0.178 18214 1217 1 4 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.943 0.253 18214 1218 1 4 . 1 1 44 44 HIS C C 44 174.492 174.492 174.704 -0.212 18214 1219 1 4 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.483 -1.823 18214 1220 1 4 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.333 1.567 18214 1221 1 4 . 1 1 44 44 HIS H H 44 9.194 9.194 8.198 0.996 18214 1222 1 4 . 1 1 45 45 ASN N N 45 126.311 126.311 126.874 -0.563 18214 1223 1 4 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.274 -0.134 18214 1224 1 4 . 1 1 45 45 ASN C C 45 174.892 174.892 175.179 -0.287 18214 1225 1 4 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.766 -0.106 18214 1226 1 4 . 1 1 45 45 ASN CB C 45 37.190 37.190 38.107 -0.917 18214 1227 1 4 . 1 1 45 45 ASN H H 45 9.057 9.057 8.977 0.080 18214 1228 1 4 . 1 1 46 46 GLY N N 46 105.469 105.469 103.472 1.997 18214 1229 1 4 . 1 1 46 46 GLY C C 46 173.945 173.945 174.130 -0.185 18214 1230 1 4 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.120 0.320 18214 1231 1 4 . 1 1 46 46 GLY H H 46 8.686 8.686 8.381 0.305 18214 1232 1 4 . 1 1 47 47 GLN N N 47 120.007 120.007 121.009 -1.002 18214 1233 1 4 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.545 -0.076 18214 1234 1 4 . 1 1 47 47 GLN C C 47 174.656 174.656 174.218 0.438 18214 1235 1 4 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.080 0.070 18214 1236 1 4 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.286 0.784 18214 1237 1 4 . 1 1 47 47 GLN H H 47 7.841 7.841 7.660 0.181 18214 1238 1 4 . 1 1 48 48 GLU N N 48 123.081 123.081 122.557 0.524 18214 1239 1 4 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.120 -0.381 18214 1240 1 4 . 1 1 48 48 GLU C C 48 175.877 175.877 174.864 1.013 18214 1241 1 4 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.058 2.112 18214 1242 1 4 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.081 -1.351 18214 1243 1 4 . 1 1 48 48 GLU H H 48 8.505 8.505 8.511 -0.006 18214 1244 1 4 . 1 1 49 49 TYR N N 49 124.226 124.226 118.673 5.553 18214 1245 1 4 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.827 -0.067 18214 1246 1 4 . 1 1 49 49 TYR C C 49 174.098 174.098 174.029 0.069 18214 1247 1 4 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.861 0.999 18214 1248 1 4 . 1 1 49 49 TYR CB C 49 41.520 41.520 41.821 -0.300 18214 1249 1 4 . 1 1 49 49 TYR H H 49 9.086 9.086 8.428 0.658 18214 1250 1 4 . 1 1 50 50 LEU N N 50 123.506 123.506 123.733 -0.227 18214 1251 1 4 . 1 1 50 50 LEU HA H 50 4.841 4.841 5.073 -0.232 18214 1252 1 4 . 1 1 50 50 LEU C C 50 174.459 174.459 174.833 -0.374 18214 1253 1 4 . 1 1 50 50 LEU CA C 50 53.840 53.840 53.683 0.157 18214 1254 1 4 . 1 1 50 50 LEU CB C 50 43.930 43.930 43.049 0.881 18214 1255 1 4 . 1 1 50 50 LEU H H 50 9.147 9.147 8.714 0.433 18214 1256 1 4 . 1 1 51 51 LEU N N 51 129.785 129.785 129.968 -0.183 18214 1257 1 4 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.155 0.078 18214 1258 1 4 . 1 1 51 51 LEU C C 51 174.246 174.246 174.214 0.032 18214 1259 1 4 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.045 -0.105 18214 1260 1 4 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.944 -1.054 18214 1261 1 4 . 1 1 51 51 LEU H H 51 8.803 8.803 8.606 0.197 18214 1262 1 4 . 1 1 52 52 ARG N N 52 121.867 121.867 124.338 -2.471 18214 1263 1 4 . 1 1 52 52 ARG HA H 52 5.292 5.292 4.910 0.382 18214 1264 1 4 . 1 1 52 52 ARG C C 52 173.561 173.561 175.298 -1.737 18214 1265 1 4 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.662 -0.442 18214 1266 1 4 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.111 1.448 18214 1267 1 4 . 1 1 52 52 ARG H H 52 8.740 8.740 8.657 0.083 18214 1268 1 4 . 1 1 53 53 LYS N N 53 118.467 118.467 126.996 -8.529 18214 1269 1 4 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.707 0.453 18214 1270 1 4 . 1 1 53 53 LYS C C 53 176.879 176.879 176.764 0.115 18214 1271 1 4 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.363 -2.703 18214 1272 1 4 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.237 1.563 18214 1273 1 4 . 1 1 53 53 LYS H H 53 7.912 7.912 8.227 -0.315 18214 1274 1 4 . 1 1 54 54 THR N N 54 114.428 114.428 116.799 -2.371 18214 1275 1 4 . 1 1 54 54 THR HA H 54 4.703 4.703 4.317 0.386 18214 1276 1 4 . 1 1 54 54 THR CA C 54 59.430 59.430 62.048 -2.618 18214 1277 1 4 . 1 1 54 54 THR CB C 54 71.730 71.730 70.440 1.290 18214 1278 1 4 . 1 1 54 54 THR H H 54 8.753 8.753 8.181 0.572 18214 1279 1 4 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.208 0.147 18214 1280 1 4 . 1 1 56 56 ALA C C 56 177.569 177.569 177.403 0.166 18214 1281 1 4 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.813 -0.783 18214 1282 1 4 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.900 -0.000 18214 1283 1 4 . 1 1 57 57 GLY N N 57 106.509 106.509 104.695 1.814 18214 1284 1 4 . 1 1 57 57 GLY C C 57 174.678 174.678 173.720 0.958 18214 1285 1 4 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.639 0.961 18214 1286 1 4 . 1 1 57 57 GLY H H 57 7.961 7.961 7.794 0.167 18214 1287 1 4 . 1 1 58 58 LYS N N 58 118.787 118.787 118.842 -0.055 18214 1288 1 4 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.695 -0.067 18214 1289 1 4 . 1 1 58 58 LYS C C 58 174.755 174.755 175.006 -0.251 18214 1290 1 4 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.120 0.540 18214 1291 1 4 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.370 -2.420 18214 1292 1 4 . 1 1 58 58 LYS H H 58 7.064 7.064 7.873 -0.809 18214 1293 1 4 . 1 1 59 59 LEU N N 59 117.082 117.082 119.788 -2.706 18214 1294 1 4 . 1 1 59 59 LEU HA H 59 4.780 4.780 4.951 -0.171 18214 1295 1 4 . 1 1 59 59 LEU C C 59 174.903 174.903 176.024 -1.121 18214 1296 1 4 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.669 -0.549 18214 1297 1 4 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.822 0.269 18214 1298 1 4 . 1 1 59 59 LEU H H 59 6.661 6.661 8.330 -1.669 18214 1299 1 4 . 1 1 60 60 LEU N N 60 121.360 121.360 125.830 -4.470 18214 1300 1 4 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.647 -0.292 18214 1301 1 4 . 1 1 60 60 LEU C C 60 174.005 174.005 174.619 -0.614 18214 1302 1 4 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.324 -0.494 18214 1303 1 4 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.797 2.243 18214 1304 1 4 . 1 1 60 60 LEU H H 60 8.457 8.457 8.571 -0.114 18214 1305 1 4 . 1 1 61 61 LEU N N 61 127.886 127.886 129.266 -1.380 18214 1306 1 4 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.966 0.480 18214 1307 1 4 . 1 1 61 61 LEU C C 61 175.910 175.910 176.637 -0.727 18214 1308 1 4 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.388 -1.108 18214 1309 1 4 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.912 4.058 18214 1310 1 4 . 1 1 61 61 LEU H H 61 8.556 8.556 8.645 -0.089 18214 1311 1 4 . 1 1 62 62 THR N N 62 120.607 120.607 120.260 0.347 18214 1312 1 4 . 1 1 62 62 THR HA H 62 4.749 4.749 4.770 -0.021 18214 1313 1 4 . 1 1 62 62 THR C C 62 171.903 171.903 173.058 -1.155 18214 1314 1 4 . 1 1 62 62 THR CA C 62 60.240 60.240 60.667 -0.427 18214 1315 1 4 . 1 1 62 62 THR CB C 62 71.970 71.970 71.479 0.491 18214 1316 1 4 . 1 1 62 62 THR H H 62 9.281 9.281 9.215 0.066 18214 1317 1 5 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.824 -0.538 18214 1318 1 5 . 1 1 3 3 ARG C C 3 176.261 176.261 174.743 1.518 18214 1319 1 5 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.905 0.325 18214 1320 1 5 . 1 1 3 3 ARG CB C 3 30.760 30.760 31.725 -0.965 18214 1321 1 5 . 1 1 4 4 MET N N 4 121.127 121.127 118.355 2.772 18214 1322 1 5 . 1 1 4 4 MET HA H 4 4.392 4.392 4.616 -0.224 18214 1323 1 5 . 1 1 4 4 MET C C 4 175.779 175.779 174.658 1.121 18214 1324 1 5 . 1 1 4 4 MET CA C 4 55.440 55.440 55.373 0.067 18214 1325 1 5 . 1 1 4 4 MET CB C 4 32.820 32.820 35.045 -2.225 18214 1326 1 5 . 1 1 4 4 MET H H 4 8.318 8.318 8.397 -0.079 18214 1327 1 5 . 1 1 5 5 ASP N N 5 121.087 121.087 123.506 -2.419 18214 1328 1 5 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.166 0.356 18214 1329 1 5 . 1 1 5 5 ASP C C 5 175.850 175.850 175.893 -0.043 18214 1330 1 5 . 1 1 5 5 ASP CA C 5 54.220 54.220 55.195 -0.975 18214 1331 1 5 . 1 1 5 5 ASP CB C 5 41.200 41.200 39.852 1.348 18214 1332 1 5 . 1 1 5 5 ASP H H 5 8.247 8.247 8.849 -0.602 18214 1333 1 5 . 1 1 6 6 ASN N N 6 119.267 119.267 115.562 3.705 18214 1334 1 5 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.271 0.393 18214 1335 1 5 . 1 1 6 6 ASN C C 6 175.478 175.478 174.584 0.894 18214 1336 1 5 . 1 1 6 6 ASN CA C 6 53.370 53.370 55.410 -2.041 18214 1337 1 5 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.048 0.472 18214 1338 1 5 . 1 1 6 6 ASN H H 6 8.320 8.320 8.430 -0.110 18214 1339 1 5 . 1 1 7 7 THR N N 7 114.228 114.228 118.338 -4.110 18214 1340 1 5 . 1 1 7 7 THR HA H 7 4.179 4.179 4.498 -0.319 18214 1341 1 5 . 1 1 7 7 THR C C 7 174.476 174.476 172.487 1.989 18214 1342 1 5 . 1 1 7 7 THR CA C 7 62.340 62.340 61.995 0.345 18214 1343 1 5 . 1 1 7 7 THR CB C 7 69.650 69.650 70.260 -0.610 18214 1344 1 5 . 1 1 7 7 THR H H 7 8.111 8.111 7.888 0.223 18214 1345 1 5 . 1 1 8 8 GLU N N 8 122.962 122.962 127.361 -4.399 18214 1346 1 5 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.337 -0.114 18214 1347 1 5 . 1 1 8 8 GLU C C 8 176.020 176.020 175.607 0.413 18214 1348 1 5 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.611 -0.381 18214 1349 1 5 . 1 1 8 8 GLU CB C 8 30.260 30.260 29.457 0.803 18214 1350 1 5 . 1 1 8 8 GLU H H 8 8.256 8.256 8.562 -0.306 18214 1351 1 5 . 1 1 9 9 LEU N N 9 124.766 124.766 123.670 1.096 18214 1352 1 5 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.895 -0.412 18214 1353 1 5 . 1 1 9 9 LEU CA C 9 53.170 53.170 52.098 1.072 18214 1354 1 5 . 1 1 9 9 LEU CB C 9 41.590 41.590 40.660 0.930 18214 1355 1 5 . 1 1 9 9 LEU H H 9 8.130 8.130 8.217 -0.087 18214 1356 1 5 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.622 -0.330 18214 1357 1 5 . 1 1 10 10 PRO C C 10 176.337 176.337 175.886 0.451 18214 1358 1 5 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.486 0.364 18214 1359 1 5 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.326 -0.406 18214 1360 1 5 . 1 1 11 11 HIS N N 11 120.147 120.147 118.760 1.387 18214 1361 1 5 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.702 0.123 18214 1362 1 5 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.381 -0.951 18214 1363 1 5 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.538 -0.168 18214 1364 1 5 . 1 1 11 11 HIS H H 11 8.329 8.329 8.236 0.093 18214 1365 1 5 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.367 -0.040 18214 1366 1 5 . 1 1 12 12 PRO C C 12 176.731 176.731 176.660 0.071 18214 1367 1 5 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.081 0.108 18214 1368 1 5 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.000 0.110 18214 1369 1 5 . 1 1 13 13 LYS N N 13 121.927 121.927 125.104 -3.177 18214 1370 1 5 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.162 0.039 18214 1371 1 5 . 1 1 13 13 LYS C C 13 176.622 176.622 176.398 0.224 18214 1372 1 5 . 1 1 13 13 LYS CA C 13 56.600 56.600 57.740 -1.140 18214 1373 1 5 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.144 -0.124 18214 1374 1 5 . 1 1 13 13 LYS H H 13 8.472 8.472 8.570 -0.098 18214 1375 1 5 . 1 1 14 14 GLU N N 14 122.532 122.532 116.854 5.678 18214 1376 1 5 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.415 -0.210 18214 1377 1 5 . 1 1 14 14 GLU C C 14 176.326 176.326 174.937 1.389 18214 1378 1 5 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.368 0.202 18214 1379 1 5 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.483 -0.383 18214 1380 1 5 . 1 1 14 14 GLU H H 14 8.442 8.442 8.100 0.342 18214 1381 1 5 . 1 1 15 15 ILE N N 15 121.207 121.207 127.569 -6.362 18214 1382 1 5 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.328 -0.261 18214 1383 1 5 . 1 1 15 15 ILE C C 15 175.680 175.680 175.031 0.649 18214 1384 1 5 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.447 -0.487 18214 1385 1 5 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.403 1.447 18214 1386 1 5 . 1 1 15 15 ILE H H 15 8.068 8.068 8.527 -0.459 18214 1387 1 5 . 1 1 16 16 ASP N N 16 124.246 124.246 124.018 0.228 18214 1388 1 5 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.709 -0.185 18214 1389 1 5 . 1 1 16 16 ASP C C 16 175.965 175.965 174.416 1.549 18214 1390 1 5 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.861 0.689 18214 1391 1 5 . 1 1 16 16 ASP CB C 16 40.970 40.970 43.024 -2.054 18214 1392 1 5 . 1 1 16 16 ASP H H 16 8.284 8.284 7.849 0.435 18214 1393 1 5 . 1 1 17 17 ASN N N 17 119.667 119.667 119.020 0.647 18214 1394 1 5 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.857 -0.280 18214 1395 1 5 . 1 1 17 17 ASN C C 17 175.417 175.417 173.588 1.829 18214 1396 1 5 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.629 0.061 18214 1397 1 5 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.717 -0.917 18214 1398 1 5 . 1 1 17 17 ASN H H 17 8.317 8.317 8.518 -0.201 18214 1399 1 5 . 1 1 18 18 GLU N N 18 120.842 120.842 123.890 -3.048 18214 1400 1 5 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.661 -0.464 18214 1401 1 5 . 1 1 18 18 GLU C C 18 176.704 176.704 175.588 1.116 18214 1402 1 5 . 1 1 18 18 GLU CA C 18 56.770 56.770 55.292 1.478 18214 1403 1 5 . 1 1 18 18 GLU CB C 18 30.100 30.100 31.314 -1.214 18214 1404 1 5 . 1 1 18 18 GLU H H 18 8.407 8.407 8.464 -0.057 18214 1405 1 5 . 1 1 19 19 THR N N 19 115.248 115.248 121.166 -5.918 18214 1406 1 5 . 1 1 19 19 THR HA H 19 4.177 4.177 4.403 -0.226 18214 1407 1 5 . 1 1 19 19 THR C C 19 174.186 174.186 174.556 -0.370 18214 1408 1 5 . 1 1 19 19 THR CA C 19 62.250 62.250 62.568 -0.318 18214 1409 1 5 . 1 1 19 19 THR CB C 19 69.650 69.650 68.360 1.290 18214 1410 1 5 . 1 1 19 19 THR H H 19 8.074 8.074 8.526 -0.452 18214 1411 1 5 . 1 1 20 20 LEU N N 20 124.826 124.826 125.666 -0.840 18214 1412 1 5 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.443 -0.179 18214 1413 1 5 . 1 1 20 20 LEU C C 20 176.698 176.698 176.784 -0.086 18214 1414 1 5 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.323 0.257 18214 1415 1 5 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.608 -0.498 18214 1416 1 5 . 1 1 20 20 LEU H H 20 8.074 8.074 7.844 0.230 18214 1417 1 5 . 1 1 21 21 LEU N N 21 124.466 124.466 118.855 5.611 18214 1418 1 5 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.126 0.386 18214 1419 1 5 . 1 1 21 21 LEU CA C 21 52.580 52.580 54.483 -1.903 18214 1420 1 5 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.106 0.754 18214 1421 1 5 . 1 1 21 21 LEU H H 21 8.088 8.088 8.390 -0.302 18214 1422 1 5 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.506 -0.214 18214 1423 1 5 . 1 1 22 22 PRO C C 22 176.540 176.540 177.287 -0.747 18214 1424 1 5 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.513 0.397 18214 1425 1 5 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.507 -0.377 18214 1426 1 5 . 1 1 23 23 ALA N N 23 124.451 124.451 126.125 -1.674 18214 1427 1 5 . 1 1 23 23 ALA HA H 23 4.158 4.158 3.935 0.223 18214 1428 1 5 . 1 1 23 23 ALA C C 23 177.005 177.005 176.109 0.896 18214 1429 1 5 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.341 -2.111 18214 1430 1 5 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.142 0.168 18214 1431 1 5 . 1 1 23 23 ALA H H 23 8.314 8.314 8.784 -0.470 18214 1432 1 5 . 1 1 24 24 ALA N N 24 121.792 121.792 116.453 5.339 18214 1433 1 5 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.365 -0.109 18214 1434 1 5 . 1 1 24 24 ALA C C 24 177.065 177.065 175.364 1.701 18214 1435 1 5 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.685 0.165 18214 1436 1 5 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.691 -0.391 18214 1437 1 5 . 1 1 24 24 ALA H H 24 7.994 7.994 7.389 0.605 18214 1438 1 5 . 1 1 25 25 GLU N N 25 120.287 120.287 118.917 1.370 18214 1439 1 5 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.358 -0.232 18214 1440 1 5 . 1 1 25 25 GLU C C 25 176.233 176.233 176.176 0.057 18214 1441 1 5 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.390 1.420 18214 1442 1 5 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.830 0.410 18214 1443 1 5 . 1 1 25 25 GLU H H 25 8.404 8.404 8.453 -0.049 18214 1444 1 5 . 1 1 26 26 ARG N N 26 123.246 123.246 122.805 0.441 18214 1445 1 5 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.204 0.131 18214 1446 1 5 . 1 1 26 26 ARG C C 26 174.514 174.514 175.408 -0.894 18214 1447 1 5 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.237 0.943 18214 1448 1 5 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.171 2.169 18214 1449 1 5 . 1 1 26 26 ARG H H 26 8.598 8.598 8.232 0.366 18214 1450 1 5 . 1 1 27 27 ARG N N 27 123.563 123.563 126.140 -2.577 18214 1451 1 5 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.504 0.940 18214 1452 1 5 . 1 1 27 27 ARG C C 27 175.308 175.308 175.595 -0.287 18214 1453 1 5 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.007 -1.837 18214 1454 1 5 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.576 4.923 18214 1455 1 5 . 1 1 27 27 ARG H H 27 8.230 8.230 7.919 0.311 18214 1456 1 5 . 1 1 28 28 VAL N N 28 120.927 120.927 120.593 0.334 18214 1457 1 5 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.408 0.027 18214 1458 1 5 . 1 1 28 28 VAL C C 28 173.178 173.178 174.692 -1.514 18214 1459 1 5 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.038 0.752 18214 1460 1 5 . 1 1 28 28 VAL CB C 28 35.510 35.510 34.733 0.777 18214 1461 1 5 . 1 1 28 28 VAL H H 28 9.062 9.062 8.231 0.831 18214 1462 1 5 . 1 1 29 29 ASN N N 29 124.526 124.526 120.480 4.046 18214 1463 1 5 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.695 0.458 18214 1464 1 5 . 1 1 29 29 ASN C C 29 177.848 177.848 177.287 0.561 18214 1465 1 5 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.021 -0.861 18214 1466 1 5 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.906 1.184 18214 1467 1 5 . 1 1 29 29 ASN H H 29 8.779 8.779 8.706 0.073 18214 1468 1 5 . 1 1 30 30 SER N N 30 123.081 123.081 118.657 4.424 18214 1469 1 5 . 1 1 30 30 SER HA H 30 3.730 3.730 3.976 -0.246 18214 1470 1 5 . 1 1 30 30 SER C C 30 175.833 175.833 176.383 -0.550 18214 1471 1 5 . 1 1 30 30 SER CA C 30 62.010 62.010 61.399 0.611 18214 1472 1 5 . 1 1 30 30 SER CB C 30 60.920 60.920 62.673 -1.753 18214 1473 1 5 . 1 1 30 30 SER H H 30 9.338 9.338 8.510 0.828 18214 1474 1 5 . 1 1 31 31 GLN N N 31 122.307 122.307 120.450 1.857 18214 1475 1 5 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.144 -0.111 18214 1476 1 5 . 1 1 31 31 GLN C C 31 177.569 177.569 176.557 1.012 18214 1477 1 5 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.056 0.694 18214 1478 1 5 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.035 -0.225 18214 1479 1 5 . 1 1 31 31 GLN H H 31 8.938 8.938 8.403 0.535 18214 1480 1 5 . 1 1 32 32 ALA N N 32 119.987 119.987 121.810 -1.823 18214 1481 1 5 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.599 -0.371 18214 1482 1 5 . 1 1 32 32 ALA C C 32 177.908 177.908 178.081 -0.173 18214 1483 1 5 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.885 2.125 18214 1484 1 5 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.895 -0.005 18214 1485 1 5 . 1 1 32 32 ALA H H 32 7.477 7.477 7.761 -0.284 18214 1486 1 5 . 1 1 33 33 LEU N N 33 117.867 117.867 117.043 0.824 18214 1487 1 5 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.993 0.129 18214 1488 1 5 . 1 1 33 33 LEU C C 33 176.348 176.348 176.305 0.043 18214 1489 1 5 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.018 -0.738 18214 1490 1 5 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.096 2.574 18214 1491 1 5 . 1 1 33 33 LEU H H 33 7.269 7.269 7.385 -0.116 18214 1492 1 5 . 1 1 34 34 LEU N N 34 114.642 114.642 114.657 -0.015 18214 1493 1 5 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.553 -0.853 18214 1494 1 5 . 1 1 34 34 LEU C C 34 177.870 177.870 177.832 0.038 18214 1495 1 5 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.289 1.111 18214 1496 1 5 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.831 -1.481 18214 1497 1 5 . 1 1 34 34 LEU H H 34 7.915 7.915 7.590 0.325 18214 1498 1 5 . 1 1 35 35 GLY N N 35 104.529 104.529 107.840 -3.311 18214 1499 1 5 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.247 -0.637 18214 1500 1 5 . 1 1 35 35 GLY H H 35 7.650 7.650 8.118 -0.468 18214 1501 1 5 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.502 -0.179 18214 1502 1 5 . 1 1 36 36 PRO C C 36 177.043 177.043 175.920 1.123 18214 1503 1 5 . 1 1 36 36 PRO CA C 36 64.680 64.680 63.794 0.886 18214 1504 1 5 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.931 -0.371 18214 1505 1 5 . 1 1 37 37 ASP N N 37 115.648 115.648 119.378 -3.730 18214 1506 1 5 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.608 -0.112 18214 1507 1 5 . 1 1 37 37 ASP C C 37 177.279 177.279 177.144 0.135 18214 1508 1 5 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.075 -0.866 18214 1509 1 5 . 1 1 37 37 ASP CB C 37 40.190 40.190 42.289 -2.099 18214 1510 1 5 . 1 1 37 37 ASP H H 37 8.500 8.500 7.668 0.832 18214 1511 1 5 . 1 1 38 38 GLY N N 38 107.249 107.249 107.369 -0.120 18214 1512 1 5 . 1 1 38 38 GLY C C 38 172.445 172.445 173.598 -1.153 18214 1513 1 5 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.522 1.598 18214 1514 1 5 . 1 1 38 38 GLY H H 38 8.084 8.084 8.256 -0.172 18214 1515 1 5 . 1 1 39 39 LYS N N 39 115.188 115.188 119.691 -4.503 18214 1516 1 5 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.268 0.121 18214 1517 1 5 . 1 1 39 39 LYS C C 39 175.182 175.182 175.232 -0.050 18214 1518 1 5 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.924 -0.014 18214 1519 1 5 . 1 1 39 39 LYS CB C 39 36.880 36.880 32.616 4.264 18214 1520 1 5 . 1 1 39 39 LYS H H 39 7.244 7.244 7.912 -0.668 18214 1521 1 5 . 1 1 40 40 VAL N N 40 120.767 120.767 115.895 4.872 18214 1522 1 5 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.631 -0.269 18214 1523 1 5 . 1 1 40 40 VAL C C 40 171.344 171.344 173.816 -2.472 18214 1524 1 5 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.147 2.193 18214 1525 1 5 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.886 -0.756 18214 1526 1 5 . 1 1 40 40 VAL H H 40 8.914 8.914 8.123 0.791 18214 1527 1 5 . 1 1 41 41 ILE N N 41 127.866 127.866 121.422 6.444 18214 1528 1 5 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.242 0.487 18214 1529 1 5 . 1 1 41 41 ILE C C 41 175.237 175.237 174.914 0.323 18214 1530 1 5 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.749 -0.839 18214 1531 1 5 . 1 1 41 41 ILE CB C 41 39.200 39.200 37.818 1.382 18214 1532 1 5 . 1 1 41 41 ILE H H 41 8.114 8.114 8.055 0.059 18214 1533 1 5 . 1 1 42 42 ILE N N 42 126.986 126.986 129.622 -2.636 18214 1534 1 5 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.131 0.669 18214 1535 1 5 . 1 1 42 42 ILE C C 42 175.187 175.187 175.100 0.087 18214 1536 1 5 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.211 -1.381 18214 1537 1 5 . 1 1 42 42 ILE CB C 42 39.810 39.810 36.756 3.054 18214 1538 1 5 . 1 1 42 42 ILE H H 42 9.249 9.249 8.394 0.855 18214 1539 1 5 . 1 1 43 43 ASP N N 43 127.951 127.951 129.843 -1.892 18214 1540 1 5 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.552 0.419 18214 1541 1 5 . 1 1 43 43 ASP C C 43 175.505 175.505 174.610 0.895 18214 1542 1 5 . 1 1 43 43 ASP CA C 43 53.970 53.970 54.070 -0.100 18214 1543 1 5 . 1 1 43 43 ASP CB C 43 42.210 42.210 41.804 0.406 18214 1544 1 5 . 1 1 43 43 ASP H H 43 8.800 8.800 8.674 0.126 18214 1545 1 5 . 1 1 44 44 HIS N N 44 126.451 126.451 127.918 -1.467 18214 1546 1 5 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.817 0.379 18214 1547 1 5 . 1 1 44 44 HIS C C 44 174.492 174.492 174.423 0.069 18214 1548 1 5 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.684 -1.024 18214 1549 1 5 . 1 1 44 44 HIS CB C 44 33.900 33.900 31.219 2.681 18214 1550 1 5 . 1 1 44 44 HIS H H 44 9.194 9.194 8.176 1.018 18214 1551 1 5 . 1 1 45 45 ASN N N 45 126.311 126.311 124.700 1.611 18214 1552 1 5 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.392 -0.252 18214 1553 1 5 . 1 1 45 45 ASN C C 45 174.892 174.892 175.219 -0.327 18214 1554 1 5 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.977 -0.317 18214 1555 1 5 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.482 -0.292 18214 1556 1 5 . 1 1 45 45 ASN H H 45 9.057 9.057 9.147 -0.090 18214 1557 1 5 . 1 1 46 46 GLY N N 46 105.469 105.469 103.809 1.660 18214 1558 1 5 . 1 1 46 46 GLY C C 46 173.945 173.945 174.126 -0.181 18214 1559 1 5 . 1 1 46 46 GLY CA C 46 45.440 45.440 44.996 0.444 18214 1560 1 5 . 1 1 46 46 GLY H H 46 8.686 8.686 8.431 0.255 18214 1561 1 5 . 1 1 47 47 GLN N N 47 120.007 120.007 122.909 -2.902 18214 1562 1 5 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.337 0.132 18214 1563 1 5 . 1 1 47 47 GLN C C 47 174.656 174.656 175.195 -0.539 18214 1564 1 5 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.500 -1.350 18214 1565 1 5 . 1 1 47 47 GLN CB C 47 31.070 31.070 28.976 2.094 18214 1566 1 5 . 1 1 47 47 GLN H H 47 7.841 7.841 7.837 0.004 18214 1567 1 5 . 1 1 48 48 GLU N N 48 123.081 123.081 124.053 -0.972 18214 1568 1 5 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.066 -0.327 18214 1569 1 5 . 1 1 48 48 GLU C C 48 175.877 175.877 175.599 0.278 18214 1570 1 5 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.445 1.725 18214 1571 1 5 . 1 1 48 48 GLU CB C 48 30.730 30.730 31.612 -0.882 18214 1572 1 5 . 1 1 48 48 GLU H H 48 8.505 8.505 8.707 -0.202 18214 1573 1 5 . 1 1 49 49 TYR N N 49 124.226 124.226 117.925 6.301 18214 1574 1 5 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.793 -0.033 18214 1575 1 5 . 1 1 49 49 TYR C C 49 174.098 174.098 174.035 0.063 18214 1576 1 5 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.459 1.401 18214 1577 1 5 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.304 1.216 18214 1578 1 5 . 1 1 49 49 TYR H H 49 9.086 9.086 8.171 0.915 18214 1579 1 5 . 1 1 50 50 LEU N N 50 123.506 123.506 127.167 -3.661 18214 1580 1 5 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.865 -0.024 18214 1581 1 5 . 1 1 50 50 LEU C C 50 174.459 174.459 175.064 -0.605 18214 1582 1 5 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.537 -0.697 18214 1583 1 5 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.061 1.869 18214 1584 1 5 . 1 1 50 50 LEU H H 50 9.147 9.147 8.700 0.447 18214 1585 1 5 . 1 1 51 51 LEU N N 51 129.785 129.785 129.582 0.203 18214 1586 1 5 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.251 -0.018 18214 1587 1 5 . 1 1 51 51 LEU C C 51 174.246 174.246 174.309 -0.063 18214 1588 1 5 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.005 -0.065 18214 1589 1 5 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.967 -1.077 18214 1590 1 5 . 1 1 51 51 LEU H H 51 8.803 8.803 8.690 0.113 18214 1591 1 5 . 1 1 52 52 ARG N N 52 121.867 121.867 123.890 -2.023 18214 1592 1 5 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.120 0.172 18214 1593 1 5 . 1 1 52 52 ARG C C 52 173.561 173.561 175.195 -1.634 18214 1594 1 5 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.758 -0.538 18214 1595 1 5 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.185 1.375 18214 1596 1 5 . 1 1 52 52 ARG H H 52 8.740 8.740 8.738 0.002 18214 1597 1 5 . 1 1 53 53 LYS N N 53 118.467 118.467 127.764 -9.297 18214 1598 1 5 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.917 0.243 18214 1599 1 5 . 1 1 53 53 LYS C C 53 176.879 176.879 176.880 -0.001 18214 1600 1 5 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.097 -2.437 18214 1601 1 5 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.352 1.448 18214 1602 1 5 . 1 1 53 53 LYS H H 53 7.912 7.912 8.310 -0.398 18214 1603 1 5 . 1 1 54 54 THR N N 54 114.428 114.428 117.766 -3.338 18214 1604 1 5 . 1 1 54 54 THR HA H 54 4.703 4.703 4.384 0.319 18214 1605 1 5 . 1 1 54 54 THR CA C 54 59.430 59.430 61.874 -2.444 18214 1606 1 5 . 1 1 54 54 THR CB C 54 71.730 71.730 70.358 1.372 18214 1607 1 5 . 1 1 54 54 THR H H 54 8.753 8.753 8.548 0.205 18214 1608 1 5 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.230 0.125 18214 1609 1 5 . 1 1 56 56 ALA C C 56 177.569 177.569 177.545 0.024 18214 1610 1 5 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.502 -0.472 18214 1611 1 5 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.712 0.188 18214 1612 1 5 . 1 1 57 57 GLY N N 57 106.509 106.509 105.871 0.638 18214 1613 1 5 . 1 1 57 57 GLY C C 57 174.678 174.678 173.627 1.051 18214 1614 1 5 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.704 0.896 18214 1615 1 5 . 1 1 57 57 GLY H H 57 7.961 7.961 7.941 0.020 18214 1616 1 5 . 1 1 58 58 LYS N N 58 118.787 118.787 119.536 -0.749 18214 1617 1 5 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.705 -0.077 18214 1618 1 5 . 1 1 58 58 LYS C C 58 174.755 174.755 174.967 -0.212 18214 1619 1 5 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.188 0.472 18214 1620 1 5 . 1 1 58 58 LYS CB C 58 33.950 33.950 35.943 -1.993 18214 1621 1 5 . 1 1 58 58 LYS H H 58 7.064 7.064 7.696 -0.632 18214 1622 1 5 . 1 1 59 59 LEU N N 59 117.082 117.082 121.630 -4.548 18214 1623 1 5 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.054 -0.274 18214 1624 1 5 . 1 1 59 59 LEU C C 59 174.903 174.903 176.465 -1.562 18214 1625 1 5 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.690 -0.570 18214 1626 1 5 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.478 0.612 18214 1627 1 5 . 1 1 59 59 LEU H H 59 6.661 6.661 8.438 -1.777 18214 1628 1 5 . 1 1 60 60 LEU N N 60 121.360 121.360 126.603 -5.243 18214 1629 1 5 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.654 -0.299 18214 1630 1 5 . 1 1 60 60 LEU C C 60 174.005 174.005 174.831 -0.826 18214 1631 1 5 . 1 1 60 60 LEU CA C 60 53.830 53.830 53.917 -0.087 18214 1632 1 5 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.221 2.819 18214 1633 1 5 . 1 1 60 60 LEU H H 60 8.457 8.457 8.501 -0.044 18214 1634 1 5 . 1 1 61 61 LEU N N 61 127.886 127.886 128.273 -0.387 18214 1635 1 5 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.028 0.418 18214 1636 1 5 . 1 1 61 61 LEU C C 61 175.910 175.910 176.681 -0.771 18214 1637 1 5 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.407 -0.128 18214 1638 1 5 . 1 1 61 61 LEU CB C 61 45.970 45.970 42.156 3.814 18214 1639 1 5 . 1 1 61 61 LEU H H 61 8.556 8.556 8.743 -0.187 18214 1640 1 5 . 1 1 62 62 THR N N 62 120.607 120.607 120.393 0.214 18214 1641 1 5 . 1 1 62 62 THR HA H 62 4.749 4.749 4.679 0.070 18214 1642 1 5 . 1 1 62 62 THR C C 62 171.903 171.903 173.979 -2.076 18214 1643 1 5 . 1 1 62 62 THR CA C 62 60.240 60.240 60.664 -0.424 18214 1644 1 5 . 1 1 62 62 THR CB C 62 71.970 71.970 70.879 1.091 18214 1645 1 5 . 1 1 62 62 THR H H 62 9.281 9.281 8.822 0.459 18214 1646 1 6 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.389 -0.103 18214 1647 1 6 . 1 1 3 3 ARG C C 3 176.261 176.261 175.436 0.825 18214 1648 1 6 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.388 0.842 18214 1649 1 6 . 1 1 3 3 ARG CB C 3 30.760 30.760 29.519 1.241 18214 1650 1 6 . 1 1 4 4 MET N N 4 121.127 121.127 124.881 -3.754 18214 1651 1 6 . 1 1 4 4 MET HA H 4 4.392 4.392 4.544 -0.152 18214 1652 1 6 . 1 1 4 4 MET C C 4 175.779 175.779 175.178 0.601 18214 1653 1 6 . 1 1 4 4 MET CA C 4 55.440 55.440 54.722 0.718 18214 1654 1 6 . 1 1 4 4 MET CB C 4 32.820 32.820 31.705 1.115 18214 1655 1 6 . 1 1 4 4 MET H H 4 8.318 8.318 8.001 0.317 18214 1656 1 6 . 1 1 5 5 ASP N N 5 121.087 121.087 126.424 -5.337 18214 1657 1 6 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.867 -0.345 18214 1658 1 6 . 1 1 5 5 ASP C C 5 175.850 175.850 174.189 1.661 18214 1659 1 6 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.960 -0.740 18214 1660 1 6 . 1 1 5 5 ASP CB C 5 41.200 41.200 42.965 -1.765 18214 1661 1 6 . 1 1 5 5 ASP H H 5 8.247 8.247 8.677 -0.430 18214 1662 1 6 . 1 1 6 6 ASN N N 6 119.267 119.267 121.491 -2.224 18214 1663 1 6 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.935 -0.271 18214 1664 1 6 . 1 1 6 6 ASN C C 6 175.478 175.478 173.632 1.846 18214 1665 1 6 . 1 1 6 6 ASN CA C 6 53.370 53.370 54.227 -0.858 18214 1666 1 6 . 1 1 6 6 ASN CB C 6 38.520 38.520 40.003 -1.483 18214 1667 1 6 . 1 1 6 6 ASN H H 6 8.320 8.320 8.723 -0.403 18214 1668 1 6 . 1 1 7 7 THR N N 7 114.228 114.228 115.680 -1.452 18214 1669 1 6 . 1 1 7 7 THR HA H 7 4.179 4.179 4.333 -0.154 18214 1670 1 6 . 1 1 7 7 THR C C 7 174.476 174.476 173.435 1.041 18214 1671 1 6 . 1 1 7 7 THR CA C 7 62.340 62.340 61.845 0.495 18214 1672 1 6 . 1 1 7 7 THR CB C 7 69.650 69.650 69.804 -0.154 18214 1673 1 6 . 1 1 7 7 THR H H 7 8.111 8.111 8.145 -0.034 18214 1674 1 6 . 1 1 8 8 GLU N N 8 122.962 122.962 125.337 -2.375 18214 1675 1 6 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.488 -0.265 18214 1676 1 6 . 1 1 8 8 GLU C C 8 176.020 176.020 176.053 -0.033 18214 1677 1 6 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.448 0.782 18214 1678 1 6 . 1 1 8 8 GLU CB C 8 30.260 30.260 29.296 0.964 18214 1679 1 6 . 1 1 8 8 GLU H H 8 8.256 8.256 8.552 -0.296 18214 1680 1 6 . 1 1 9 9 LEU N N 9 124.766 124.766 128.840 -4.074 18214 1681 1 6 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.472 0.011 18214 1682 1 6 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.942 -0.772 18214 1683 1 6 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.069 0.521 18214 1684 1 6 . 1 1 9 9 LEU H H 9 8.130 8.130 8.473 -0.343 18214 1685 1 6 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.773 -0.481 18214 1686 1 6 . 1 1 10 10 PRO C C 10 176.337 176.337 175.923 0.414 18214 1687 1 6 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.406 0.444 18214 1688 1 6 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.803 -0.883 18214 1689 1 6 . 1 1 11 11 HIS N N 11 120.147 120.147 114.839 5.308 18214 1690 1 6 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.827 -0.002 18214 1691 1 6 . 1 1 11 11 HIS CA C 11 53.430 53.430 53.654 -0.224 18214 1692 1 6 . 1 1 11 11 HIS CB C 11 29.370 29.370 28.233 1.137 18214 1693 1 6 . 1 1 11 11 HIS H H 11 8.329 8.329 8.124 0.205 18214 1694 1 6 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.372 -0.044 18214 1695 1 6 . 1 1 12 12 PRO C C 12 176.731 176.731 176.768 -0.037 18214 1696 1 6 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.464 0.726 18214 1697 1 6 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.398 -0.287 18214 1698 1 6 . 1 1 13 13 LYS N N 13 121.927 121.927 123.628 -1.701 18214 1699 1 6 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.320 -0.119 18214 1700 1 6 . 1 1 13 13 LYS C C 13 176.622 176.622 176.204 0.418 18214 1701 1 6 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.507 0.093 18214 1702 1 6 . 1 1 13 13 LYS CB C 13 33.020 33.020 31.377 1.643 18214 1703 1 6 . 1 1 13 13 LYS H H 13 8.472 8.472 8.473 -0.001 18214 1704 1 6 . 1 1 14 14 GLU N N 14 122.532 122.532 123.670 -1.138 18214 1705 1 6 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.285 -0.080 18214 1706 1 6 . 1 1 14 14 GLU C C 14 176.326 176.326 176.257 0.069 18214 1707 1 6 . 1 1 14 14 GLU CA C 14 56.570 56.570 55.718 0.852 18214 1708 1 6 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.691 0.409 18214 1709 1 6 . 1 1 14 14 GLU H H 14 8.442 8.442 8.261 0.181 18214 1710 1 6 . 1 1 15 15 ILE N N 15 121.207 121.207 127.736 -6.529 18214 1711 1 6 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.014 0.053 18214 1712 1 6 . 1 1 15 15 ILE C C 15 175.680 175.680 175.509 0.171 18214 1713 1 6 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.956 -0.996 18214 1714 1 6 . 1 1 15 15 ILE CB C 15 38.850 38.850 36.094 2.756 18214 1715 1 6 . 1 1 15 15 ILE H H 15 8.068 8.068 8.554 -0.486 18214 1716 1 6 . 1 1 16 16 ASP N N 16 124.246 124.246 128.010 -3.764 18214 1717 1 6 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.595 -0.071 18214 1718 1 6 . 1 1 16 16 ASP C C 16 175.965 175.965 176.931 -0.966 18214 1719 1 6 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.258 -0.708 18214 1720 1 6 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.909 -0.939 18214 1721 1 6 . 1 1 16 16 ASP H H 16 8.284 8.284 8.417 -0.133 18214 1722 1 6 . 1 1 17 17 ASN N N 17 119.667 119.667 117.085 2.582 18214 1723 1 6 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.743 -0.166 18214 1724 1 6 . 1 1 17 17 ASN C C 17 175.417 175.417 173.878 1.539 18214 1725 1 6 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.479 0.211 18214 1726 1 6 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.938 -0.138 18214 1727 1 6 . 1 1 17 17 ASN H H 17 8.317 8.317 8.502 -0.185 18214 1728 1 6 . 1 1 18 18 GLU N N 18 120.842 120.842 121.655 -0.813 18214 1729 1 6 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.280 -0.083 18214 1730 1 6 . 1 1 18 18 GLU C C 18 176.704 176.704 175.728 0.976 18214 1731 1 6 . 1 1 18 18 GLU CA C 18 56.770 56.770 57.472 -0.702 18214 1732 1 6 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.168 0.932 18214 1733 1 6 . 1 1 18 18 GLU H H 18 8.407 8.407 8.390 0.017 18214 1734 1 6 . 1 1 19 19 THR N N 19 115.248 115.248 119.297 -4.049 18214 1735 1 6 . 1 1 19 19 THR HA H 19 4.177 4.177 4.490 -0.313 18214 1736 1 6 . 1 1 19 19 THR C C 19 174.186 174.186 174.409 -0.223 18214 1737 1 6 . 1 1 19 19 THR CA C 19 62.250 62.250 61.718 0.532 18214 1738 1 6 . 1 1 19 19 THR CB C 19 69.650 69.650 70.630 -0.980 18214 1739 1 6 . 1 1 19 19 THR H H 19 8.074 8.074 8.268 -0.194 18214 1740 1 6 . 1 1 20 20 LEU N N 20 124.826 124.826 123.099 1.727 18214 1741 1 6 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.420 -0.156 18214 1742 1 6 . 1 1 20 20 LEU C C 20 176.698 176.698 176.873 -0.175 18214 1743 1 6 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.295 0.285 18214 1744 1 6 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.504 -0.394 18214 1745 1 6 . 1 1 20 20 LEU H H 20 8.074 8.074 8.102 -0.028 18214 1746 1 6 . 1 1 21 21 LEU N N 21 124.466 124.466 121.668 2.798 18214 1747 1 6 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.402 0.110 18214 1748 1 6 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.701 -1.121 18214 1749 1 6 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.167 0.693 18214 1750 1 6 . 1 1 21 21 LEU H H 21 8.088 8.088 8.273 -0.185 18214 1751 1 6 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.377 -0.085 18214 1752 1 6 . 1 1 22 22 PRO C C 22 176.540 176.540 177.635 -1.095 18214 1753 1 6 . 1 1 22 22 PRO CA C 22 62.910 62.910 63.245 -0.335 18214 1754 1 6 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.029 0.101 18214 1755 1 6 . 1 1 23 23 ALA N N 23 124.451 124.451 125.431 -0.980 18214 1756 1 6 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.037 0.121 18214 1757 1 6 . 1 1 23 23 ALA C C 23 177.005 177.005 176.681 0.324 18214 1758 1 6 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.103 -1.873 18214 1759 1 6 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.030 0.280 18214 1760 1 6 . 1 1 23 23 ALA H H 23 8.314 8.314 8.509 -0.195 18214 1761 1 6 . 1 1 24 24 ALA N N 24 121.792 121.792 119.423 2.369 18214 1762 1 6 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.478 -0.222 18214 1763 1 6 . 1 1 24 24 ALA C C 24 177.065 177.065 175.485 1.580 18214 1764 1 6 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.667 0.183 18214 1765 1 6 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.922 -0.622 18214 1766 1 6 . 1 1 24 24 ALA H H 24 7.994 7.994 7.468 0.526 18214 1767 1 6 . 1 1 25 25 GLU N N 25 120.287 120.287 120.315 -0.028 18214 1768 1 6 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.241 -0.115 18214 1769 1 6 . 1 1 25 25 GLU C C 25 176.233 176.233 175.644 0.589 18214 1770 1 6 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.446 1.364 18214 1771 1 6 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.240 1.000 18214 1772 1 6 . 1 1 25 25 GLU H H 25 8.404 8.404 8.385 0.019 18214 1773 1 6 . 1 1 26 26 ARG N N 26 123.246 123.246 121.013 2.233 18214 1774 1 6 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.375 -0.040 18214 1775 1 6 . 1 1 26 26 ARG C C 26 174.514 174.514 175.288 -0.774 18214 1776 1 6 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.541 1.639 18214 1777 1 6 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.686 1.654 18214 1778 1 6 . 1 1 26 26 ARG H H 26 8.598 8.598 7.873 0.725 18214 1779 1 6 . 1 1 27 27 ARG N N 27 123.563 123.563 126.989 -3.426 18214 1780 1 6 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.690 0.754 18214 1781 1 6 . 1 1 27 27 ARG C C 27 175.308 175.308 176.246 -0.938 18214 1782 1 6 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.743 -1.573 18214 1783 1 6 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.044 5.456 18214 1784 1 6 . 1 1 27 27 ARG H H 27 8.230 8.230 8.468 -0.238 18214 1785 1 6 . 1 1 28 28 VAL N N 28 120.927 120.927 119.023 1.904 18214 1786 1 6 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.611 -0.176 18214 1787 1 6 . 1 1 28 28 VAL C C 28 173.178 173.178 175.239 -2.061 18214 1788 1 6 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.288 0.502 18214 1789 1 6 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.643 -0.133 18214 1790 1 6 . 1 1 28 28 VAL H H 28 9.062 9.062 8.356 0.706 18214 1791 1 6 . 1 1 29 29 ASN N N 29 124.526 124.526 120.609 3.917 18214 1792 1 6 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.753 0.400 18214 1793 1 6 . 1 1 29 29 ASN C C 29 177.848 177.848 177.322 0.526 18214 1794 1 6 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.169 -1.009 18214 1795 1 6 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.474 1.616 18214 1796 1 6 . 1 1 29 29 ASN H H 29 8.779 8.779 8.660 0.119 18214 1797 1 6 . 1 1 30 30 SER N N 30 123.081 123.081 117.385 5.696 18214 1798 1 6 . 1 1 30 30 SER HA H 30 3.730 3.730 4.077 -0.347 18214 1799 1 6 . 1 1 30 30 SER C C 30 175.833 175.833 176.227 -0.394 18214 1800 1 6 . 1 1 30 30 SER CA C 30 62.010 62.010 61.621 0.389 18214 1801 1 6 . 1 1 30 30 SER CB C 30 60.920 60.920 62.718 -1.798 18214 1802 1 6 . 1 1 30 30 SER H H 30 9.338 9.338 8.525 0.813 18214 1803 1 6 . 1 1 31 31 GLN N N 31 122.307 122.307 120.356 1.951 18214 1804 1 6 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.113 -0.080 18214 1805 1 6 . 1 1 31 31 GLN C C 31 177.569 177.569 176.674 0.895 18214 1806 1 6 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.179 0.570 18214 1807 1 6 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.026 -0.216 18214 1808 1 6 . 1 1 31 31 GLN H H 31 8.938 8.938 8.721 0.217 18214 1809 1 6 . 1 1 32 32 ALA N N 32 119.987 119.987 120.692 -0.705 18214 1810 1 6 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.591 -0.363 18214 1811 1 6 . 1 1 32 32 ALA C C 32 177.908 177.908 177.956 -0.048 18214 1812 1 6 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.913 2.097 18214 1813 1 6 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.442 0.448 18214 1814 1 6 . 1 1 32 32 ALA H H 32 7.477 7.477 7.555 -0.078 18214 1815 1 6 . 1 1 33 33 LEU N N 33 117.867 117.867 116.734 1.133 18214 1816 1 6 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.005 0.117 18214 1817 1 6 . 1 1 33 33 LEU C C 33 176.348 176.348 176.697 -0.349 18214 1818 1 6 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.136 -0.856 18214 1819 1 6 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.040 2.630 18214 1820 1 6 . 1 1 33 33 LEU H H 33 7.269 7.269 7.343 -0.074 18214 1821 1 6 . 1 1 34 34 LEU N N 34 114.642 114.642 114.282 0.360 18214 1822 1 6 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.574 -0.874 18214 1823 1 6 . 1 1 34 34 LEU C C 34 177.870 177.870 177.833 0.037 18214 1824 1 6 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.116 1.284 18214 1825 1 6 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.847 -1.498 18214 1826 1 6 . 1 1 34 34 LEU H H 34 7.915 7.915 7.661 0.254 18214 1827 1 6 . 1 1 35 35 GLY N N 35 104.529 104.529 108.124 -3.595 18214 1828 1 6 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.245 -0.634 18214 1829 1 6 . 1 1 35 35 GLY H H 35 7.650 7.650 8.127 -0.477 18214 1830 1 6 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.530 -0.207 18214 1831 1 6 . 1 1 36 36 PRO C C 36 177.043 177.043 176.031 1.012 18214 1832 1 6 . 1 1 36 36 PRO CA C 36 64.680 64.680 63.746 0.934 18214 1833 1 6 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.857 -0.297 18214 1834 1 6 . 1 1 37 37 ASP N N 37 115.648 115.648 119.441 -3.793 18214 1835 1 6 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.618 -0.122 18214 1836 1 6 . 1 1 37 37 ASP C C 37 177.279 177.279 177.370 -0.091 18214 1837 1 6 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.597 -1.387 18214 1838 1 6 . 1 1 37 37 ASP CB C 37 40.190 40.190 42.842 -2.652 18214 1839 1 6 . 1 1 37 37 ASP H H 37 8.500 8.500 7.746 0.754 18214 1840 1 6 . 1 1 38 38 GLY N N 38 107.249 107.249 108.840 -1.591 18214 1841 1 6 . 1 1 38 38 GLY C C 38 172.445 172.445 172.999 -0.554 18214 1842 1 6 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.233 1.887 18214 1843 1 6 . 1 1 38 38 GLY H H 38 8.084 8.084 8.457 -0.373 18214 1844 1 6 . 1 1 39 39 LYS N N 39 115.188 115.188 120.044 -4.856 18214 1845 1 6 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.349 0.040 18214 1846 1 6 . 1 1 39 39 LYS C C 39 175.182 175.182 175.103 0.079 18214 1847 1 6 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.062 -0.152 18214 1848 1 6 . 1 1 39 39 LYS CB C 39 36.880 36.880 35.048 1.832 18214 1849 1 6 . 1 1 39 39 LYS H H 39 7.244 7.244 7.965 -0.721 18214 1850 1 6 . 1 1 40 40 VAL N N 40 120.767 120.767 116.559 4.208 18214 1851 1 6 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.689 -0.327 18214 1852 1 6 . 1 1 40 40 VAL C C 40 171.344 171.344 174.168 -2.824 18214 1853 1 6 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.498 1.842 18214 1854 1 6 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.618 -0.488 18214 1855 1 6 . 1 1 40 40 VAL H H 40 8.914 8.914 8.746 0.168 18214 1856 1 6 . 1 1 41 41 ILE N N 41 127.866 127.866 120.602 7.264 18214 1857 1 6 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.104 0.625 18214 1858 1 6 . 1 1 41 41 ILE C C 41 175.237 175.237 174.977 0.260 18214 1859 1 6 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.812 -0.902 18214 1860 1 6 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.186 1.014 18214 1861 1 6 . 1 1 41 41 ILE H H 41 8.114 8.114 8.002 0.112 18214 1862 1 6 . 1 1 42 42 ILE N N 42 126.986 126.986 129.368 -2.382 18214 1863 1 6 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.372 0.428 18214 1864 1 6 . 1 1 42 42 ILE C C 42 175.187 175.187 175.146 0.041 18214 1865 1 6 . 1 1 42 42 ILE CA C 42 58.830 58.830 59.827 -0.997 18214 1866 1 6 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.157 2.653 18214 1867 1 6 . 1 1 42 42 ILE H H 42 9.249 9.249 8.395 0.854 18214 1868 1 6 . 1 1 43 43 ASP N N 43 127.951 127.951 129.548 -1.597 18214 1869 1 6 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.958 0.013 18214 1870 1 6 . 1 1 43 43 ASP C C 43 175.505 175.505 175.022 0.483 18214 1871 1 6 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.916 0.054 18214 1872 1 6 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.929 -0.719 18214 1873 1 6 . 1 1 43 43 ASP H H 43 8.800 8.800 8.645 0.155 18214 1874 1 6 . 1 1 44 44 HIS N N 44 126.451 126.451 125.710 0.741 18214 1875 1 6 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.713 0.483 18214 1876 1 6 . 1 1 44 44 HIS C C 44 174.492 174.492 174.331 0.161 18214 1877 1 6 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.923 -1.263 18214 1878 1 6 . 1 1 44 44 HIS CB C 44 33.900 33.900 31.073 2.827 18214 1879 1 6 . 1 1 44 44 HIS H H 44 9.194 9.194 8.659 0.535 18214 1880 1 6 . 1 1 45 45 ASN N N 45 126.311 126.311 126.589 -0.278 18214 1881 1 6 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.306 -0.166 18214 1882 1 6 . 1 1 45 45 ASN C C 45 174.892 174.892 175.056 -0.164 18214 1883 1 6 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.672 -0.012 18214 1884 1 6 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.300 -0.110 18214 1885 1 6 . 1 1 45 45 ASN H H 45 9.057 9.057 9.163 -0.106 18214 1886 1 6 . 1 1 46 46 GLY N N 46 105.469 105.469 103.456 2.013 18214 1887 1 6 . 1 1 46 46 GLY C C 46 173.945 173.945 174.238 -0.293 18214 1888 1 6 . 1 1 46 46 GLY CA C 46 45.440 45.440 44.961 0.479 18214 1889 1 6 . 1 1 46 46 GLY H H 46 8.686 8.686 8.507 0.179 18214 1890 1 6 . 1 1 47 47 GLN N N 47 120.007 120.007 121.340 -1.333 18214 1891 1 6 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.458 0.011 18214 1892 1 6 . 1 1 47 47 GLN C C 47 174.656 174.656 174.542 0.114 18214 1893 1 6 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.516 -1.366 18214 1894 1 6 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.074 0.996 18214 1895 1 6 . 1 1 47 47 GLN H H 47 7.841 7.841 7.749 0.092 18214 1896 1 6 . 1 1 48 48 GLU N N 48 123.081 123.081 120.848 2.233 18214 1897 1 6 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.276 -0.537 18214 1898 1 6 . 1 1 48 48 GLU C C 48 175.877 175.877 175.384 0.493 18214 1899 1 6 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.124 2.046 18214 1900 1 6 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.891 -2.160 18214 1901 1 6 . 1 1 48 48 GLU H H 48 8.505 8.505 8.657 -0.152 18214 1902 1 6 . 1 1 49 49 TYR N N 49 124.226 124.226 117.535 6.691 18214 1903 1 6 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.801 -0.041 18214 1904 1 6 . 1 1 49 49 TYR C C 49 174.098 174.098 174.016 0.082 18214 1905 1 6 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.873 0.987 18214 1906 1 6 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.324 1.196 18214 1907 1 6 . 1 1 49 49 TYR H H 49 9.086 9.086 8.266 0.820 18214 1908 1 6 . 1 1 50 50 LEU N N 50 123.506 123.506 126.278 -2.772 18214 1909 1 6 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.670 0.171 18214 1910 1 6 . 1 1 50 50 LEU C C 50 174.459 174.459 174.901 -0.442 18214 1911 1 6 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.924 -1.084 18214 1912 1 6 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.567 1.363 18214 1913 1 6 . 1 1 50 50 LEU H H 50 9.147 9.147 8.724 0.423 18214 1914 1 6 . 1 1 51 51 LEU N N 51 129.785 129.785 129.310 0.475 18214 1915 1 6 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.334 -0.101 18214 1916 1 6 . 1 1 51 51 LEU C C 51 174.246 174.246 174.236 0.010 18214 1917 1 6 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.893 0.047 18214 1918 1 6 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.271 -1.381 18214 1919 1 6 . 1 1 51 51 LEU H H 51 8.803 8.803 8.773 0.030 18214 1920 1 6 . 1 1 52 52 ARG N N 52 121.867 121.867 124.127 -2.260 18214 1921 1 6 . 1 1 52 52 ARG HA H 52 5.292 5.292 4.880 0.412 18214 1922 1 6 . 1 1 52 52 ARG C C 52 173.561 173.561 175.253 -1.692 18214 1923 1 6 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.661 -0.441 18214 1924 1 6 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.068 1.492 18214 1925 1 6 . 1 1 52 52 ARG H H 52 8.740 8.740 8.636 0.104 18214 1926 1 6 . 1 1 53 53 LYS N N 53 118.467 118.467 127.275 -8.808 18214 1927 1 6 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.565 0.595 18214 1928 1 6 . 1 1 53 53 LYS C C 53 176.879 176.879 176.813 0.066 18214 1929 1 6 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.391 -2.731 18214 1930 1 6 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.536 2.264 18214 1931 1 6 . 1 1 53 53 LYS H H 53 7.912 7.912 8.160 -0.248 18214 1932 1 6 . 1 1 54 54 THR N N 54 114.428 114.428 116.482 -2.054 18214 1933 1 6 . 1 1 54 54 THR HA H 54 4.703 4.703 4.326 0.377 18214 1934 1 6 . 1 1 54 54 THR CA C 54 59.430 59.430 61.480 -2.050 18214 1935 1 6 . 1 1 54 54 THR CB C 54 71.730 71.730 69.978 1.752 18214 1936 1 6 . 1 1 54 54 THR H H 54 8.753 8.753 8.179 0.574 18214 1937 1 6 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.264 0.091 18214 1938 1 6 . 1 1 56 56 ALA C C 56 177.569 177.569 178.108 -0.539 18214 1939 1 6 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.180 -0.150 18214 1940 1 6 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.698 0.202 18214 1941 1 6 . 1 1 57 57 GLY N N 57 106.509 106.509 106.064 0.445 18214 1942 1 6 . 1 1 57 57 GLY C C 57 174.678 174.678 174.064 0.614 18214 1943 1 6 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.047 0.553 18214 1944 1 6 . 1 1 57 57 GLY H H 57 7.961 7.961 7.931 0.030 18214 1945 1 6 . 1 1 58 58 LYS N N 58 118.787 118.787 118.594 0.193 18214 1946 1 6 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.687 -0.059 18214 1947 1 6 . 1 1 58 58 LYS C C 58 174.755 174.755 175.063 -0.308 18214 1948 1 6 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.213 0.447 18214 1949 1 6 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.363 -2.413 18214 1950 1 6 . 1 1 58 58 LYS H H 58 7.064 7.064 7.884 -0.820 18214 1951 1 6 . 1 1 59 59 LEU N N 59 117.082 117.082 118.840 -1.758 18214 1952 1 6 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.229 -0.449 18214 1953 1 6 . 1 1 59 59 LEU C C 59 174.903 174.903 176.284 -1.381 18214 1954 1 6 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.169 -0.049 18214 1955 1 6 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.191 -0.101 18214 1956 1 6 . 1 1 59 59 LEU H H 59 6.661 6.661 8.247 -1.586 18214 1957 1 6 . 1 1 60 60 LEU N N 60 121.360 121.360 123.472 -2.112 18214 1958 1 6 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.594 -0.239 18214 1959 1 6 . 1 1 60 60 LEU C C 60 174.005 174.005 174.630 -0.625 18214 1960 1 6 . 1 1 60 60 LEU CA C 60 53.830 53.830 55.027 -1.197 18214 1961 1 6 . 1 1 60 60 LEU CB C 60 47.040 47.040 45.507 1.533 18214 1962 1 6 . 1 1 60 60 LEU H H 60 8.457 8.457 8.356 0.101 18214 1963 1 6 . 1 1 61 61 LEU N N 61 127.886 127.886 129.372 -1.486 18214 1964 1 6 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.279 0.167 18214 1965 1 6 . 1 1 61 61 LEU C C 61 175.910 175.910 176.502 -0.592 18214 1966 1 6 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.010 -0.730 18214 1967 1 6 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.455 4.515 18214 1968 1 6 . 1 1 61 61 LEU H H 61 8.556 8.556 8.499 0.057 18214 1969 1 6 . 1 1 62 62 THR N N 62 120.607 120.607 118.555 2.052 18214 1970 1 6 . 1 1 62 62 THR HA H 62 4.749 4.749 4.695 0.054 18214 1971 1 6 . 1 1 62 62 THR C C 62 171.903 171.903 174.066 -2.163 18214 1972 1 6 . 1 1 62 62 THR CA C 62 60.240 60.240 60.679 -0.439 18214 1973 1 6 . 1 1 62 62 THR CB C 62 71.970 71.970 71.207 0.763 18214 1974 1 6 . 1 1 62 62 THR H H 62 9.281 9.281 9.051 0.230 18214 1975 1 7 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.431 -0.145 18214 1976 1 7 . 1 1 3 3 ARG C C 3 176.261 176.261 175.546 0.715 18214 1977 1 7 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.391 -0.161 18214 1978 1 7 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.137 0.623 18214 1979 1 7 . 1 1 4 4 MET N N 4 121.127 121.127 123.861 -2.734 18214 1980 1 7 . 1 1 4 4 MET HA H 4 4.392 4.392 4.541 -0.149 18214 1981 1 7 . 1 1 4 4 MET C C 4 175.779 175.779 174.561 1.218 18214 1982 1 7 . 1 1 4 4 MET CA C 4 55.440 55.440 55.190 0.251 18214 1983 1 7 . 1 1 4 4 MET CB C 4 32.820 32.820 34.759 -1.939 18214 1984 1 7 . 1 1 4 4 MET H H 4 8.318 8.318 8.421 -0.103 18214 1985 1 7 . 1 1 5 5 ASP N N 5 121.087 121.087 120.961 0.126 18214 1986 1 7 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.462 0.060 18214 1987 1 7 . 1 1 5 5 ASP C C 5 175.850 175.850 174.531 1.319 18214 1988 1 7 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.390 -0.170 18214 1989 1 7 . 1 1 5 5 ASP CB C 5 41.200 41.200 40.747 0.453 18214 1990 1 7 . 1 1 5 5 ASP H H 5 8.247 8.247 8.486 -0.239 18214 1991 1 7 . 1 1 6 6 ASN N N 6 119.267 119.267 120.400 -1.133 18214 1992 1 7 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.719 -0.055 18214 1993 1 7 . 1 1 6 6 ASN C C 6 175.478 175.478 176.041 -0.563 18214 1994 1 7 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.538 -0.168 18214 1995 1 7 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.041 -0.521 18214 1996 1 7 . 1 1 6 6 ASN H H 6 8.320 8.320 8.478 -0.158 18214 1997 1 7 . 1 1 7 7 THR N N 7 114.228 114.228 117.239 -3.011 18214 1998 1 7 . 1 1 7 7 THR HA H 7 4.179 4.179 4.404 -0.225 18214 1999 1 7 . 1 1 7 7 THR C C 7 174.476 174.476 174.612 -0.136 18214 2000 1 7 . 1 1 7 7 THR CA C 7 62.340 62.340 62.161 0.179 18214 2001 1 7 . 1 1 7 7 THR CB C 7 69.650 69.650 69.564 0.086 18214 2002 1 7 . 1 1 7 7 THR H H 7 8.111 8.111 8.287 -0.176 18214 2003 1 7 . 1 1 8 8 GLU N N 8 122.962 122.962 123.764 -0.802 18214 2004 1 7 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.294 -0.071 18214 2005 1 7 . 1 1 8 8 GLU C C 8 176.020 176.020 176.685 -0.665 18214 2006 1 7 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.933 0.297 18214 2007 1 7 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.594 -0.334 18214 2008 1 7 . 1 1 8 8 GLU H H 8 8.256 8.256 8.416 -0.160 18214 2009 1 7 . 1 1 9 9 LEU N N 9 124.766 124.766 124.494 0.272 18214 2010 1 7 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.445 0.038 18214 2011 1 7 . 1 1 9 9 LEU CA C 9 53.170 53.170 54.136 -0.966 18214 2012 1 7 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.329 0.261 18214 2013 1 7 . 1 1 9 9 LEU H H 9 8.130 8.130 8.554 -0.424 18214 2014 1 7 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.521 -0.229 18214 2015 1 7 . 1 1 10 10 PRO C C 10 176.337 176.337 175.948 0.389 18214 2016 1 7 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.538 0.312 18214 2017 1 7 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.415 -0.495 18214 2018 1 7 . 1 1 11 11 HIS N N 11 120.147 120.147 118.309 1.838 18214 2019 1 7 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.762 0.063 18214 2020 1 7 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.000 -0.570 18214 2021 1 7 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.783 -0.413 18214 2022 1 7 . 1 1 11 11 HIS H H 11 8.329 8.329 8.269 0.060 18214 2023 1 7 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.399 -0.072 18214 2024 1 7 . 1 1 12 12 PRO C C 12 176.731 176.731 176.663 0.068 18214 2025 1 7 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.767 0.423 18214 2026 1 7 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.652 -0.542 18214 2027 1 7 . 1 1 13 13 LYS N N 13 121.927 121.927 120.380 1.547 18214 2028 1 7 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.096 0.105 18214 2029 1 7 . 1 1 13 13 LYS C C 13 176.622 176.622 176.863 -0.241 18214 2030 1 7 . 1 1 13 13 LYS CA C 13 56.600 56.600 57.884 -1.284 18214 2031 1 7 . 1 1 13 13 LYS CB C 13 33.020 33.020 32.648 0.372 18214 2032 1 7 . 1 1 13 13 LYS H H 13 8.472 8.472 8.403 0.069 18214 2033 1 7 . 1 1 14 14 GLU N N 14 122.532 122.532 120.181 2.351 18214 2034 1 7 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.532 -0.327 18214 2035 1 7 . 1 1 14 14 GLU C C 14 176.326 176.326 175.430 0.896 18214 2036 1 7 . 1 1 14 14 GLU CA C 14 56.570 56.570 55.668 0.902 18214 2037 1 7 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.104 -0.004 18214 2038 1 7 . 1 1 14 14 GLU H H 14 8.442 8.442 8.341 0.101 18214 2039 1 7 . 1 1 15 15 ILE N N 15 121.207 121.207 126.334 -5.127 18214 2040 1 7 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.036 0.031 18214 2041 1 7 . 1 1 15 15 ILE C C 15 175.680 175.680 175.175 0.505 18214 2042 1 7 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.853 0.107 18214 2043 1 7 . 1 1 15 15 ILE CB C 15 38.850 38.850 36.487 2.363 18214 2044 1 7 . 1 1 15 15 ILE H H 15 8.068 8.068 8.635 -0.567 18214 2045 1 7 . 1 1 16 16 ASP N N 16 124.246 124.246 123.522 0.724 18214 2046 1 7 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.350 0.174 18214 2047 1 7 . 1 1 16 16 ASP C C 16 175.965 175.965 174.668 1.297 18214 2048 1 7 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.181 -0.631 18214 2049 1 7 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.312 -0.342 18214 2050 1 7 . 1 1 16 16 ASP H H 16 8.284 8.284 7.998 0.286 18214 2051 1 7 . 1 1 17 17 ASN N N 17 119.667 119.667 120.603 -0.936 18214 2052 1 7 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.815 -0.238 18214 2053 1 7 . 1 1 17 17 ASN C C 17 175.417 175.417 174.797 0.620 18214 2054 1 7 . 1 1 17 17 ASN CA C 17 53.690 53.690 52.779 0.911 18214 2055 1 7 . 1 1 17 17 ASN CB C 17 38.800 38.800 40.588 -1.788 18214 2056 1 7 . 1 1 17 17 ASN H H 17 8.317 8.317 8.269 0.048 18214 2057 1 7 . 1 1 18 18 GLU N N 18 120.842 120.842 124.052 -3.210 18214 2058 1 7 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.555 -0.358 18214 2059 1 7 . 1 1 18 18 GLU C C 18 176.704 176.704 175.773 0.931 18214 2060 1 7 . 1 1 18 18 GLU CA C 18 56.770 56.770 55.684 1.086 18214 2061 1 7 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.029 1.071 18214 2062 1 7 . 1 1 18 18 GLU H H 18 8.407 8.407 8.707 -0.300 18214 2063 1 7 . 1 1 19 19 THR N N 19 115.248 115.248 119.415 -4.167 18214 2064 1 7 . 1 1 19 19 THR HA H 19 4.177 4.177 4.232 -0.055 18214 2065 1 7 . 1 1 19 19 THR C C 19 174.186 174.186 174.791 -0.605 18214 2066 1 7 . 1 1 19 19 THR CA C 19 62.250 62.250 63.056 -0.806 18214 2067 1 7 . 1 1 19 19 THR CB C 19 69.650 69.650 68.844 0.807 18214 2068 1 7 . 1 1 19 19 THR H H 19 8.074 8.074 8.289 -0.215 18214 2069 1 7 . 1 1 20 20 LEU N N 20 124.826 124.826 126.307 -1.481 18214 2070 1 7 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.369 -0.105 18214 2071 1 7 . 1 1 20 20 LEU C C 20 176.698 176.698 177.435 -0.737 18214 2072 1 7 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.309 0.271 18214 2073 1 7 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.587 -0.476 18214 2074 1 7 . 1 1 20 20 LEU H H 20 8.074 8.074 8.403 -0.329 18214 2075 1 7 . 1 1 21 21 LEU N N 21 124.466 124.466 121.661 2.805 18214 2076 1 7 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.428 0.084 18214 2077 1 7 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.813 -1.233 18214 2078 1 7 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.324 0.536 18214 2079 1 7 . 1 1 21 21 LEU H H 21 8.088 8.088 8.143 -0.055 18214 2080 1 7 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.594 -0.302 18214 2081 1 7 . 1 1 22 22 PRO C C 22 176.540 176.540 176.501 0.039 18214 2082 1 7 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.245 0.665 18214 2083 1 7 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.283 -0.153 18214 2084 1 7 . 1 1 23 23 ALA N N 23 124.451 124.451 124.583 -0.132 18214 2085 1 7 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.102 0.056 18214 2086 1 7 . 1 1 23 23 ALA C C 23 177.005 177.005 176.264 0.741 18214 2087 1 7 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.861 -1.631 18214 2088 1 7 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.130 0.180 18214 2089 1 7 . 1 1 23 23 ALA H H 23 8.314 8.314 8.638 -0.324 18214 2090 1 7 . 1 1 24 24 ALA N N 24 121.792 121.792 119.866 1.926 18214 2091 1 7 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.403 -0.147 18214 2092 1 7 . 1 1 24 24 ALA C C 24 177.065 177.065 175.589 1.476 18214 2093 1 7 . 1 1 24 24 ALA CA C 24 51.850 51.850 52.007 -0.157 18214 2094 1 7 . 1 1 24 24 ALA CB C 24 20.300 20.300 19.921 0.379 18214 2095 1 7 . 1 1 24 24 ALA H H 24 7.994 7.994 7.793 0.201 18214 2096 1 7 . 1 1 25 25 GLU N N 25 120.287 120.287 121.512 -1.225 18214 2097 1 7 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.356 -0.230 18214 2098 1 7 . 1 1 25 25 GLU C C 25 176.233 176.233 175.993 0.240 18214 2099 1 7 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.906 0.904 18214 2100 1 7 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.571 0.669 18214 2101 1 7 . 1 1 25 25 GLU H H 25 8.404 8.404 8.511 -0.107 18214 2102 1 7 . 1 1 26 26 ARG N N 26 123.246 123.246 121.662 1.584 18214 2103 1 7 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.366 -0.031 18214 2104 1 7 . 1 1 26 26 ARG C C 26 174.514 174.514 175.270 -0.756 18214 2105 1 7 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.100 1.080 18214 2106 1 7 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.715 1.625 18214 2107 1 7 . 1 1 26 26 ARG H H 26 8.598 8.598 7.932 0.666 18214 2108 1 7 . 1 1 27 27 ARG N N 27 123.563 123.563 127.367 -3.804 18214 2109 1 7 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.535 0.909 18214 2110 1 7 . 1 1 27 27 ARG C C 27 175.308 175.308 176.097 -0.789 18214 2111 1 7 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.809 -1.639 18214 2112 1 7 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.172 5.328 18214 2113 1 7 . 1 1 27 27 ARG H H 27 8.230 8.230 8.368 -0.138 18214 2114 1 7 . 1 1 28 28 VAL N N 28 120.927 120.927 120.144 0.783 18214 2115 1 7 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.580 -0.145 18214 2116 1 7 . 1 1 28 28 VAL C C 28 173.178 173.178 175.097 -1.919 18214 2117 1 7 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.136 0.654 18214 2118 1 7 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.587 -0.077 18214 2119 1 7 . 1 1 28 28 VAL H H 28 9.062 9.062 8.484 0.578 18214 2120 1 7 . 1 1 29 29 ASN N N 29 124.526 124.526 119.279 5.247 18214 2121 1 7 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.926 0.227 18214 2122 1 7 . 1 1 29 29 ASN C C 29 177.848 177.848 177.383 0.465 18214 2123 1 7 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.169 -1.008 18214 2124 1 7 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.088 1.002 18214 2125 1 7 . 1 1 29 29 ASN H H 29 8.779 8.779 8.531 0.248 18214 2126 1 7 . 1 1 30 30 SER N N 30 123.081 123.081 115.727 7.354 18214 2127 1 7 . 1 1 30 30 SER HA H 30 3.730 3.730 4.155 -0.425 18214 2128 1 7 . 1 1 30 30 SER C C 30 175.833 175.833 176.154 -0.321 18214 2129 1 7 . 1 1 30 30 SER CA C 30 62.010 62.010 60.971 1.039 18214 2130 1 7 . 1 1 30 30 SER CB C 30 60.920 60.920 63.041 -2.121 18214 2131 1 7 . 1 1 30 30 SER H H 30 9.338 9.338 8.582 0.756 18214 2132 1 7 . 1 1 31 31 GLN N N 31 122.307 122.307 119.990 2.317 18214 2133 1 7 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.155 -0.122 18214 2134 1 7 . 1 1 31 31 GLN C C 31 177.569 177.569 176.378 1.191 18214 2135 1 7 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.987 0.763 18214 2136 1 7 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.170 -0.360 18214 2137 1 7 . 1 1 31 31 GLN H H 31 8.938 8.938 8.558 0.380 18214 2138 1 7 . 1 1 32 32 ALA N N 32 119.987 119.987 122.003 -2.016 18214 2139 1 7 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.603 -0.375 18214 2140 1 7 . 1 1 32 32 ALA C C 32 177.908 177.908 177.751 0.157 18214 2141 1 7 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.862 2.148 18214 2142 1 7 . 1 1 32 32 ALA CB C 32 18.890 18.890 19.002 -0.112 18214 2143 1 7 . 1 1 32 32 ALA H H 32 7.477 7.477 7.578 -0.101 18214 2144 1 7 . 1 1 33 33 LEU N N 33 117.867 117.867 116.523 1.344 18214 2145 1 7 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.026 0.096 18214 2146 1 7 . 1 1 33 33 LEU C C 33 176.348 176.348 176.824 -0.476 18214 2147 1 7 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.077 -0.797 18214 2148 1 7 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.027 2.643 18214 2149 1 7 . 1 1 33 33 LEU H H 33 7.269 7.269 7.367 -0.098 18214 2150 1 7 . 1 1 34 34 LEU N N 34 114.642 114.642 114.899 -0.257 18214 2151 1 7 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.569 -0.869 18214 2152 1 7 . 1 1 34 34 LEU C C 34 177.870 177.870 177.831 0.039 18214 2153 1 7 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.076 1.324 18214 2154 1 7 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.654 -1.304 18214 2155 1 7 . 1 1 34 34 LEU H H 34 7.915 7.915 7.620 0.295 18214 2156 1 7 . 1 1 35 35 GLY N N 35 104.529 104.529 108.735 -4.206 18214 2157 1 7 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.509 -0.899 18214 2158 1 7 . 1 1 35 35 GLY H H 35 7.650 7.650 8.027 -0.377 18214 2159 1 7 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.503 -0.180 18214 2160 1 7 . 1 1 36 36 PRO C C 36 177.043 177.043 176.275 0.768 18214 2161 1 7 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.374 0.306 18214 2162 1 7 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.917 -0.357 18214 2163 1 7 . 1 1 37 37 ASP N N 37 115.648 115.648 118.379 -2.731 18214 2164 1 7 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.661 -0.165 18214 2165 1 7 . 1 1 37 37 ASP C C 37 177.279 177.279 177.391 -0.112 18214 2166 1 7 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.924 -1.714 18214 2167 1 7 . 1 1 37 37 ASP CB C 37 40.190 40.190 42.143 -1.953 18214 2168 1 7 . 1 1 37 37 ASP H H 37 8.500 8.500 7.935 0.565 18214 2169 1 7 . 1 1 38 38 GLY N N 38 107.249 107.249 107.805 -0.556 18214 2170 1 7 . 1 1 38 38 GLY C C 38 172.445 172.445 173.218 -0.773 18214 2171 1 7 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.696 1.424 18214 2172 1 7 . 1 1 38 38 GLY H H 38 8.084 8.084 8.504 -0.420 18214 2173 1 7 . 1 1 39 39 LYS N N 39 115.188 115.188 120.491 -5.303 18214 2174 1 7 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.235 0.154 18214 2175 1 7 . 1 1 39 39 LYS C C 39 175.182 175.182 175.238 -0.056 18214 2176 1 7 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.786 0.124 18214 2177 1 7 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.168 3.712 18214 2178 1 7 . 1 1 39 39 LYS H H 39 7.244 7.244 7.662 -0.418 18214 2179 1 7 . 1 1 40 40 VAL N N 40 120.767 120.767 115.671 5.096 18214 2180 1 7 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.626 -0.264 18214 2181 1 7 . 1 1 40 40 VAL C C 40 171.344 171.344 173.630 -2.286 18214 2182 1 7 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.048 2.292 18214 2183 1 7 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.923 -0.793 18214 2184 1 7 . 1 1 40 40 VAL H H 40 8.914 8.914 8.374 0.540 18214 2185 1 7 . 1 1 41 41 ILE N N 41 127.866 127.866 120.223 7.643 18214 2186 1 7 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.328 0.401 18214 2187 1 7 . 1 1 41 41 ILE C C 41 175.237 175.237 175.511 -0.274 18214 2188 1 7 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.834 -0.924 18214 2189 1 7 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.279 0.921 18214 2190 1 7 . 1 1 41 41 ILE H H 41 8.114 8.114 8.050 0.064 18214 2191 1 7 . 1 1 42 42 ILE N N 42 126.986 126.986 129.383 -2.397 18214 2192 1 7 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.326 0.474 18214 2193 1 7 . 1 1 42 42 ILE C C 42 175.187 175.187 174.628 0.559 18214 2194 1 7 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.766 -1.936 18214 2195 1 7 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.548 1.262 18214 2196 1 7 . 1 1 42 42 ILE H H 42 9.249 9.249 8.705 0.544 18214 2197 1 7 . 1 1 43 43 ASP N N 43 127.951 127.951 128.485 -0.534 18214 2198 1 7 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.519 -0.548 18214 2199 1 7 . 1 1 43 43 ASP C C 43 175.505 175.505 174.542 0.963 18214 2200 1 7 . 1 1 43 43 ASP CA C 43 53.970 53.970 52.485 1.485 18214 2201 1 7 . 1 1 43 43 ASP CB C 43 42.210 42.210 43.195 -0.985 18214 2202 1 7 . 1 1 43 43 ASP H H 43 8.800 8.800 8.614 0.186 18214 2203 1 7 . 1 1 44 44 HIS N N 44 126.451 126.451 126.100 0.351 18214 2204 1 7 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.918 0.278 18214 2205 1 7 . 1 1 44 44 HIS C C 44 174.492 174.492 174.341 0.151 18214 2206 1 7 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.097 -1.438 18214 2207 1 7 . 1 1 44 44 HIS CB C 44 33.900 33.900 33.359 0.541 18214 2208 1 7 . 1 1 44 44 HIS H H 44 9.194 9.194 8.436 0.758 18214 2209 1 7 . 1 1 45 45 ASN N N 45 126.311 126.311 124.148 2.163 18214 2210 1 7 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.275 -0.135 18214 2211 1 7 . 1 1 45 45 ASN C C 45 174.892 174.892 175.562 -0.670 18214 2212 1 7 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.781 -0.121 18214 2213 1 7 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.380 -0.190 18214 2214 1 7 . 1 1 45 45 ASN H H 45 9.057 9.057 8.886 0.171 18214 2215 1 7 . 1 1 46 46 GLY N N 46 105.469 105.469 104.258 1.211 18214 2216 1 7 . 1 1 46 46 GLY C C 46 173.945 173.945 174.063 -0.118 18214 2217 1 7 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.254 0.186 18214 2218 1 7 . 1 1 46 46 GLY H H 46 8.686 8.686 8.580 0.106 18214 2219 1 7 . 1 1 47 47 GLN N N 47 120.007 120.007 119.197 0.810 18214 2220 1 7 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.335 0.134 18214 2221 1 7 . 1 1 47 47 GLN C C 47 174.656 174.656 174.210 0.446 18214 2222 1 7 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.770 -0.620 18214 2223 1 7 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.412 0.658 18214 2224 1 7 . 1 1 47 47 GLN H H 47 7.841 7.841 7.625 0.216 18214 2225 1 7 . 1 1 48 48 GLU N N 48 123.081 123.081 119.410 3.671 18214 2226 1 7 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.277 -0.538 18214 2227 1 7 . 1 1 48 48 GLU C C 48 175.877 175.877 175.173 0.704 18214 2228 1 7 . 1 1 48 48 GLU CA C 48 56.170 56.170 53.901 2.269 18214 2229 1 7 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.237 -1.507 18214 2230 1 7 . 1 1 48 48 GLU H H 48 8.505 8.505 8.300 0.205 18214 2231 1 7 . 1 1 49 49 TYR N N 49 124.226 124.226 120.047 4.179 18214 2232 1 7 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.681 0.079 18214 2233 1 7 . 1 1 49 49 TYR C C 49 174.098 174.098 174.071 0.027 18214 2234 1 7 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.964 0.896 18214 2235 1 7 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.946 0.574 18214 2236 1 7 . 1 1 49 49 TYR H H 49 9.086 9.086 8.542 0.544 18214 2237 1 7 . 1 1 50 50 LEU N N 50 123.506 123.506 126.572 -3.066 18214 2238 1 7 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.886 -0.045 18214 2239 1 7 . 1 1 50 50 LEU C C 50 174.459 174.459 174.897 -0.438 18214 2240 1 7 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.397 -0.557 18214 2241 1 7 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.287 1.643 18214 2242 1 7 . 1 1 50 50 LEU H H 50 9.147 9.147 8.783 0.364 18214 2243 1 7 . 1 1 51 51 LEU N N 51 129.785 129.785 130.079 -0.294 18214 2244 1 7 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.121 0.112 18214 2245 1 7 . 1 1 51 51 LEU C C 51 174.246 174.246 174.288 -0.042 18214 2246 1 7 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.084 -0.144 18214 2247 1 7 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.484 -0.594 18214 2248 1 7 . 1 1 51 51 LEU H H 51 8.803 8.803 8.605 0.198 18214 2249 1 7 . 1 1 52 52 ARG N N 52 121.867 121.867 124.664 -2.797 18214 2250 1 7 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.196 0.096 18214 2251 1 7 . 1 1 52 52 ARG C C 52 173.561 173.561 175.293 -1.732 18214 2252 1 7 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.464 -0.244 18214 2253 1 7 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.065 1.495 18214 2254 1 7 . 1 1 52 52 ARG H H 52 8.740 8.740 8.697 0.043 18214 2255 1 7 . 1 1 53 53 LYS N N 53 118.467 118.467 127.548 -9.081 18214 2256 1 7 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.877 0.283 18214 2257 1 7 . 1 1 53 53 LYS C C 53 176.879 176.879 176.807 0.072 18214 2258 1 7 . 1 1 53 53 LYS CA C 53 53.660 53.660 55.918 -2.258 18214 2259 1 7 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.000 1.800 18214 2260 1 7 . 1 1 53 53 LYS H H 53 7.912 7.912 8.352 -0.440 18214 2261 1 7 . 1 1 54 54 THR N N 54 114.428 114.428 116.310 -1.882 18214 2262 1 7 . 1 1 54 54 THR HA H 54 4.703 4.703 4.321 0.382 18214 2263 1 7 . 1 1 54 54 THR CA C 54 59.430 59.430 61.329 -1.899 18214 2264 1 7 . 1 1 54 54 THR CB C 54 71.730 71.730 70.262 1.468 18214 2265 1 7 . 1 1 54 54 THR H H 54 8.753 8.753 8.477 0.276 18214 2266 1 7 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.321 0.034 18214 2267 1 7 . 1 1 56 56 ALA C C 56 177.569 177.569 177.826 -0.257 18214 2268 1 7 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.866 0.164 18214 2269 1 7 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.788 0.112 18214 2270 1 7 . 1 1 57 57 GLY N N 57 106.509 106.509 106.860 -0.351 18214 2271 1 7 . 1 1 57 57 GLY C C 57 174.678 174.678 174.070 0.608 18214 2272 1 7 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.052 0.548 18214 2273 1 7 . 1 1 57 57 GLY H H 57 7.961 7.961 7.965 -0.004 18214 2274 1 7 . 1 1 58 58 LYS N N 58 118.787 118.787 118.894 -0.107 18214 2275 1 7 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.641 -0.013 18214 2276 1 7 . 1 1 58 58 LYS C C 58 174.755 174.755 175.012 -0.257 18214 2277 1 7 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.008 0.652 18214 2278 1 7 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.241 -2.291 18214 2279 1 7 . 1 1 58 58 LYS H H 58 7.064 7.064 7.799 -0.735 18214 2280 1 7 . 1 1 59 59 LEU N N 59 117.082 117.082 120.944 -3.862 18214 2281 1 7 . 1 1 59 59 LEU HA H 59 4.780 4.780 4.739 0.041 18214 2282 1 7 . 1 1 59 59 LEU C C 59 174.903 174.903 176.088 -1.185 18214 2283 1 7 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.953 -0.833 18214 2284 1 7 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.077 1.013 18214 2285 1 7 . 1 1 59 59 LEU H H 59 6.661 6.661 8.408 -1.747 18214 2286 1 7 . 1 1 60 60 LEU N N 60 121.360 121.360 127.554 -6.194 18214 2287 1 7 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.676 -0.321 18214 2288 1 7 . 1 1 60 60 LEU C C 60 174.005 174.005 174.564 -0.559 18214 2289 1 7 . 1 1 60 60 LEU CA C 60 53.830 53.830 53.919 -0.089 18214 2290 1 7 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.293 2.747 18214 2291 1 7 . 1 1 60 60 LEU H H 60 8.457 8.457 8.671 -0.214 18214 2292 1 7 . 1 1 61 61 LEU N N 61 127.886 127.886 129.846 -1.960 18214 2293 1 7 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.867 0.579 18214 2294 1 7 . 1 1 61 61 LEU C C 61 175.910 175.910 176.448 -0.538 18214 2295 1 7 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.710 -0.430 18214 2296 1 7 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.752 4.218 18214 2297 1 7 . 1 1 61 61 LEU H H 61 8.556 8.556 8.707 -0.151 18214 2298 1 7 . 1 1 62 62 THR N N 62 120.607 120.607 119.317 1.290 18214 2299 1 7 . 1 1 62 62 THR HA H 62 4.749 4.749 4.816 -0.067 18214 2300 1 7 . 1 1 62 62 THR C C 62 171.903 171.903 172.919 -1.016 18214 2301 1 7 . 1 1 62 62 THR CA C 62 60.240 60.240 60.867 -0.627 18214 2302 1 7 . 1 1 62 62 THR CB C 62 71.970 71.970 71.368 0.602 18214 2303 1 7 . 1 1 62 62 THR H H 62 9.281 9.281 9.021 0.260 18214 2304 1 8 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.434 -0.148 18214 2305 1 8 . 1 1 3 3 ARG C C 3 176.261 176.261 175.966 0.295 18214 2306 1 8 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.274 -0.044 18214 2307 1 8 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.866 -0.106 18214 2308 1 8 . 1 1 4 4 MET N N 4 121.127 121.127 116.870 4.257 18214 2309 1 8 . 1 1 4 4 MET HA H 4 4.392 4.392 4.249 0.143 18214 2310 1 8 . 1 1 4 4 MET C C 4 175.779 175.779 174.800 0.979 18214 2311 1 8 . 1 1 4 4 MET CA C 4 55.440 55.440 56.154 -0.715 18214 2312 1 8 . 1 1 4 4 MET CB C 4 32.820 32.820 32.473 0.347 18214 2313 1 8 . 1 1 4 4 MET H H 4 8.318 8.318 8.112 0.206 18214 2314 1 8 . 1 1 5 5 ASP N N 5 121.087 121.087 121.539 -0.452 18214 2315 1 8 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.814 -0.292 18214 2316 1 8 . 1 1 5 5 ASP C C 5 175.850 175.850 174.856 0.994 18214 2317 1 8 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.459 -0.239 18214 2318 1 8 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.271 -0.071 18214 2319 1 8 . 1 1 5 5 ASP H H 5 8.247 8.247 8.447 -0.200 18214 2320 1 8 . 1 1 6 6 ASN N N 6 119.267 119.267 122.374 -3.107 18214 2321 1 8 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.979 -0.315 18214 2322 1 8 . 1 1 6 6 ASN C C 6 175.478 175.478 174.942 0.536 18214 2323 1 8 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.299 0.071 18214 2324 1 8 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.470 -0.950 18214 2325 1 8 . 1 1 6 6 ASN H H 6 8.320 8.320 8.391 -0.071 18214 2326 1 8 . 1 1 7 7 THR N N 7 114.228 114.228 117.839 -3.611 18214 2327 1 8 . 1 1 7 7 THR HA H 7 4.179 4.179 4.449 -0.270 18214 2328 1 8 . 1 1 7 7 THR C C 7 174.476 174.476 174.953 -0.477 18214 2329 1 8 . 1 1 7 7 THR CA C 7 62.340 62.340 61.745 0.595 18214 2330 1 8 . 1 1 7 7 THR CB C 7 69.650 69.650 69.959 -0.309 18214 2331 1 8 . 1 1 7 7 THR H H 7 8.111 8.111 8.040 0.071 18214 2332 1 8 . 1 1 8 8 GLU N N 8 122.962 122.962 121.816 1.146 18214 2333 1 8 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.357 -0.134 18214 2334 1 8 . 1 1 8 8 GLU C C 8 176.020 176.020 176.387 -0.367 18214 2335 1 8 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.288 -0.058 18214 2336 1 8 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.083 0.177 18214 2337 1 8 . 1 1 8 8 GLU H H 8 8.256 8.256 8.410 -0.154 18214 2338 1 8 . 1 1 9 9 LEU N N 9 124.766 124.766 124.365 0.401 18214 2339 1 8 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.348 0.135 18214 2340 1 8 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.760 -0.590 18214 2341 1 8 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.549 0.041 18214 2342 1 8 . 1 1 9 9 LEU H H 9 8.130 8.130 8.303 -0.173 18214 2343 1 8 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.436 -0.144 18214 2344 1 8 . 1 1 10 10 PRO C C 10 176.337 176.337 176.176 0.161 18214 2345 1 8 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.269 -0.419 18214 2346 1 8 . 1 1 10 10 PRO CB C 10 31.920 31.920 31.516 0.404 18214 2347 1 8 . 1 1 11 11 HIS N N 11 120.147 120.147 125.751 -5.604 18214 2348 1 8 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.625 0.200 18214 2349 1 8 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.467 -1.036 18214 2350 1 8 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.849 -0.479 18214 2351 1 8 . 1 1 11 11 HIS H H 11 8.329 8.329 8.604 -0.275 18214 2352 1 8 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.541 -0.214 18214 2353 1 8 . 1 1 12 12 PRO C C 12 176.731 176.731 175.294 1.437 18214 2354 1 8 . 1 1 12 12 PRO CA C 12 63.190 63.190 61.925 1.265 18214 2355 1 8 . 1 1 12 12 PRO CB C 12 32.110 32.110 33.001 -0.891 18214 2356 1 8 . 1 1 13 13 LYS N N 13 121.927 121.927 120.388 1.539 18214 2357 1 8 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.468 -0.267 18214 2358 1 8 . 1 1 13 13 LYS C C 13 176.622 176.622 175.830 0.792 18214 2359 1 8 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.528 1.072 18214 2360 1 8 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.505 -0.485 18214 2361 1 8 . 1 1 13 13 LYS H H 13 8.472 8.472 8.224 0.248 18214 2362 1 8 . 1 1 14 14 GLU N N 14 122.532 122.532 124.059 -1.527 18214 2363 1 8 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.451 -0.246 18214 2364 1 8 . 1 1 14 14 GLU C C 14 176.326 176.326 175.999 0.327 18214 2365 1 8 . 1 1 14 14 GLU CA C 14 56.570 56.570 55.932 0.638 18214 2366 1 8 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.489 -0.389 18214 2367 1 8 . 1 1 14 14 GLU H H 14 8.442 8.442 8.493 -0.051 18214 2368 1 8 . 1 1 15 15 ILE N N 15 121.207 121.207 124.064 -2.857 18214 2369 1 8 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.236 -0.169 18214 2370 1 8 . 1 1 15 15 ILE C C 15 175.680 175.680 175.233 0.447 18214 2371 1 8 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.742 0.218 18214 2372 1 8 . 1 1 15 15 ILE CB C 15 38.850 38.850 39.327 -0.477 18214 2373 1 8 . 1 1 15 15 ILE H H 15 8.068 8.068 8.358 -0.290 18214 2374 1 8 . 1 1 16 16 ASP N N 16 124.246 124.246 126.701 -2.455 18214 2375 1 8 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.733 -0.209 18214 2376 1 8 . 1 1 16 16 ASP C C 16 175.965 175.965 175.800 0.165 18214 2377 1 8 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.126 1.424 18214 2378 1 8 . 1 1 16 16 ASP CB C 16 40.970 40.970 42.828 -1.858 18214 2379 1 8 . 1 1 16 16 ASP H H 16 8.284 8.284 8.507 -0.223 18214 2380 1 8 . 1 1 17 17 ASN N N 17 119.667 119.667 123.120 -3.453 18214 2381 1 8 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.595 -0.018 18214 2382 1 8 . 1 1 17 17 ASN C C 17 175.417 175.417 174.444 0.973 18214 2383 1 8 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.540 0.150 18214 2384 1 8 . 1 1 17 17 ASN CB C 17 38.800 38.800 37.593 1.207 18214 2385 1 8 . 1 1 17 17 ASN H H 17 8.317 8.317 8.860 -0.543 18214 2386 1 8 . 1 1 18 18 GLU N N 18 120.842 120.842 120.641 0.201 18214 2387 1 8 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.537 -0.340 18214 2388 1 8 . 1 1 18 18 GLU C C 18 176.704 176.704 176.293 0.411 18214 2389 1 8 . 1 1 18 18 GLU CA C 18 56.770 56.770 55.582 1.188 18214 2390 1 8 . 1 1 18 18 GLU CB C 18 30.100 30.100 30.354 -0.254 18214 2391 1 8 . 1 1 18 18 GLU H H 18 8.407 8.407 7.902 0.505 18214 2392 1 8 . 1 1 19 19 THR N N 19 115.248 115.248 116.922 -1.674 18214 2393 1 8 . 1 1 19 19 THR HA H 19 4.177 4.177 4.193 -0.016 18214 2394 1 8 . 1 1 19 19 THR C C 19 174.186 174.186 175.146 -0.960 18214 2395 1 8 . 1 1 19 19 THR CA C 19 62.250 62.250 63.441 -1.191 18214 2396 1 8 . 1 1 19 19 THR CB C 19 69.650 69.650 69.546 0.104 18214 2397 1 8 . 1 1 19 19 THR H H 19 8.074 8.074 8.030 0.044 18214 2398 1 8 . 1 1 20 20 LEU N N 20 124.826 124.826 126.014 -1.188 18214 2399 1 8 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.167 0.097 18214 2400 1 8 . 1 1 20 20 LEU C C 20 176.698 176.698 176.545 0.153 18214 2401 1 8 . 1 1 20 20 LEU CA C 20 54.580 54.580 55.107 -0.527 18214 2402 1 8 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.142 -0.032 18214 2403 1 8 . 1 1 20 20 LEU H H 20 8.074 8.074 8.153 -0.079 18214 2404 1 8 . 1 1 21 21 LEU N N 21 124.466 124.466 118.060 6.406 18214 2405 1 8 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.107 0.405 18214 2406 1 8 . 1 1 21 21 LEU CA C 21 52.580 52.580 54.424 -1.844 18214 2407 1 8 . 1 1 21 21 LEU CB C 21 41.860 41.860 40.839 1.021 18214 2408 1 8 . 1 1 21 21 LEU H H 21 8.088 8.088 8.296 -0.208 18214 2409 1 8 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.470 -0.178 18214 2410 1 8 . 1 1 22 22 PRO C C 22 176.540 176.540 177.677 -1.137 18214 2411 1 8 . 1 1 22 22 PRO CA C 22 62.910 62.910 63.012 -0.102 18214 2412 1 8 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.073 0.057 18214 2413 1 8 . 1 1 23 23 ALA N N 23 124.451 124.451 125.554 -1.103 18214 2414 1 8 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.054 0.104 18214 2415 1 8 . 1 1 23 23 ALA C C 23 177.005 177.005 176.165 0.840 18214 2416 1 8 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.928 -1.698 18214 2417 1 8 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.027 0.283 18214 2418 1 8 . 1 1 23 23 ALA H H 23 8.314 8.314 8.618 -0.304 18214 2419 1 8 . 1 1 24 24 ALA N N 24 121.792 121.792 118.648 3.144 18214 2420 1 8 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.490 -0.234 18214 2421 1 8 . 1 1 24 24 ALA C C 24 177.065 177.065 175.778 1.287 18214 2422 1 8 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.836 0.014 18214 2423 1 8 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.686 -0.386 18214 2424 1 8 . 1 1 24 24 ALA H H 24 7.994 7.994 7.484 0.510 18214 2425 1 8 . 1 1 25 25 GLU N N 25 120.287 120.287 120.561 -0.274 18214 2426 1 8 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.235 -0.109 18214 2427 1 8 . 1 1 25 25 GLU C C 25 176.233 176.233 176.123 0.110 18214 2428 1 8 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.923 0.887 18214 2429 1 8 . 1 1 25 25 GLU CB C 25 30.240 30.240 28.942 1.298 18214 2430 1 8 . 1 1 25 25 GLU H H 25 8.404 8.404 8.604 -0.200 18214 2431 1 8 . 1 1 26 26 ARG N N 26 123.246 123.246 121.616 1.630 18214 2432 1 8 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.323 0.012 18214 2433 1 8 . 1 1 26 26 ARG C C 26 174.514 174.514 175.236 -0.722 18214 2434 1 8 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.819 1.361 18214 2435 1 8 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.545 1.795 18214 2436 1 8 . 1 1 26 26 ARG H H 26 8.598 8.598 8.013 0.585 18214 2437 1 8 . 1 1 27 27 ARG N N 27 123.563 123.563 127.294 -3.731 18214 2438 1 8 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.604 0.840 18214 2439 1 8 . 1 1 27 27 ARG C C 27 175.308 175.308 176.292 -0.984 18214 2440 1 8 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.211 -2.041 18214 2441 1 8 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.525 4.975 18214 2442 1 8 . 1 1 27 27 ARG H H 27 8.230 8.230 8.336 -0.106 18214 2443 1 8 . 1 1 28 28 VAL N N 28 120.927 120.927 119.524 1.403 18214 2444 1 8 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.644 -0.209 18214 2445 1 8 . 1 1 28 28 VAL C C 28 173.178 173.178 174.513 -1.335 18214 2446 1 8 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.197 0.593 18214 2447 1 8 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.937 -0.427 18214 2448 1 8 . 1 1 28 28 VAL H H 28 9.062 9.062 8.522 0.540 18214 2449 1 8 . 1 1 29 29 ASN N N 29 124.526 124.526 119.774 4.752 18214 2450 1 8 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.782 0.371 18214 2451 1 8 . 1 1 29 29 ASN C C 29 177.848 177.848 177.135 0.713 18214 2452 1 8 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.489 -0.329 18214 2453 1 8 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.152 0.938 18214 2454 1 8 . 1 1 29 29 ASN H H 29 8.779 8.779 8.528 0.251 18214 2455 1 8 . 1 1 30 30 SER N N 30 123.081 123.081 117.578 5.503 18214 2456 1 8 . 1 1 30 30 SER HA H 30 3.730 3.730 4.177 -0.447 18214 2457 1 8 . 1 1 30 30 SER C C 30 175.833 175.833 176.665 -0.832 18214 2458 1 8 . 1 1 30 30 SER CA C 30 62.010 62.010 61.048 0.962 18214 2459 1 8 . 1 1 30 30 SER CB C 30 60.920 60.920 63.085 -2.165 18214 2460 1 8 . 1 1 30 30 SER H H 30 9.338 9.338 8.490 0.848 18214 2461 1 8 . 1 1 31 31 GLN N N 31 122.307 122.307 121.020 1.287 18214 2462 1 8 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.160 -0.127 18214 2463 1 8 . 1 1 31 31 GLN C C 31 177.569 177.569 176.583 0.986 18214 2464 1 8 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.312 0.438 18214 2465 1 8 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.570 -0.760 18214 2466 1 8 . 1 1 31 31 GLN H H 31 8.938 8.938 8.556 0.382 18214 2467 1 8 . 1 1 32 32 ALA N N 32 119.987 119.987 120.890 -0.903 18214 2468 1 8 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.622 -0.394 18214 2469 1 8 . 1 1 32 32 ALA C C 32 177.908 177.908 177.964 -0.056 18214 2470 1 8 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.906 2.104 18214 2471 1 8 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.506 0.384 18214 2472 1 8 . 1 1 32 32 ALA H H 32 7.477 7.477 7.707 -0.230 18214 2473 1 8 . 1 1 33 33 LEU N N 33 117.867 117.867 116.941 0.926 18214 2474 1 8 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.025 0.097 18214 2475 1 8 . 1 1 33 33 LEU C C 33 176.348 176.348 176.516 -0.168 18214 2476 1 8 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.073 -0.793 18214 2477 1 8 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.083 2.587 18214 2478 1 8 . 1 1 33 33 LEU H H 33 7.269 7.269 7.439 -0.170 18214 2479 1 8 . 1 1 34 34 LEU N N 34 114.642 114.642 114.532 0.110 18214 2480 1 8 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.566 -0.866 18214 2481 1 8 . 1 1 34 34 LEU C C 34 177.870 177.870 178.080 -0.210 18214 2482 1 8 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.266 1.134 18214 2483 1 8 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.885 -1.535 18214 2484 1 8 . 1 1 34 34 LEU H H 34 7.915 7.915 7.616 0.299 18214 2485 1 8 . 1 1 35 35 GLY N N 35 104.529 104.529 107.508 -2.979 18214 2486 1 8 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.336 -0.726 18214 2487 1 8 . 1 1 35 35 GLY H H 35 7.650 7.650 8.102 -0.452 18214 2488 1 8 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.442 -0.119 18214 2489 1 8 . 1 1 36 36 PRO C C 36 177.043 177.043 176.603 0.440 18214 2490 1 8 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.291 0.389 18214 2491 1 8 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.953 -0.393 18214 2492 1 8 . 1 1 37 37 ASP N N 37 115.648 115.648 119.700 -4.052 18214 2493 1 8 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.480 0.016 18214 2494 1 8 . 1 1 37 37 ASP C C 37 177.279 177.279 177.624 -0.345 18214 2495 1 8 . 1 1 37 37 ASP CA C 37 53.210 53.210 55.308 -2.098 18214 2496 1 8 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.877 -0.687 18214 2497 1 8 . 1 1 37 37 ASP H H 37 8.500 8.500 7.923 0.577 18214 2498 1 8 . 1 1 38 38 GLY N N 38 107.249 107.249 106.244 1.005 18214 2499 1 8 . 1 1 38 38 GLY C C 38 172.445 172.445 173.427 -0.982 18214 2500 1 8 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.984 1.136 18214 2501 1 8 . 1 1 38 38 GLY H H 38 8.084 8.084 8.067 0.017 18214 2502 1 8 . 1 1 39 39 LYS N N 39 115.188 115.188 118.332 -3.144 18214 2503 1 8 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.455 -0.066 18214 2504 1 8 . 1 1 39 39 LYS C C 39 175.182 175.182 175.094 0.088 18214 2505 1 8 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.934 -0.023 18214 2506 1 8 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.058 2.822 18214 2507 1 8 . 1 1 39 39 LYS H H 39 7.244 7.244 7.400 -0.156 18214 2508 1 8 . 1 1 40 40 VAL N N 40 120.767 120.767 116.180 4.587 18214 2509 1 8 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.597 -0.235 18214 2510 1 8 . 1 1 40 40 VAL C C 40 171.344 171.344 173.909 -2.565 18214 2511 1 8 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.346 1.994 18214 2512 1 8 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.684 -0.554 18214 2513 1 8 . 1 1 40 40 VAL H H 40 8.914 8.914 8.513 0.401 18214 2514 1 8 . 1 1 41 41 ILE N N 41 127.866 127.866 121.163 6.703 18214 2515 1 8 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.808 -0.079 18214 2516 1 8 . 1 1 41 41 ILE C C 41 175.237 175.237 175.784 -0.547 18214 2517 1 8 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.539 -0.629 18214 2518 1 8 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.015 1.185 18214 2519 1 8 . 1 1 41 41 ILE H H 41 8.114 8.114 7.950 0.164 18214 2520 1 8 . 1 1 42 42 ILE N N 42 126.986 126.986 129.711 -2.725 18214 2521 1 8 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.192 0.608 18214 2522 1 8 . 1 1 42 42 ILE C C 42 175.187 175.187 174.587 0.600 18214 2523 1 8 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.125 -2.295 18214 2524 1 8 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.288 1.522 18214 2525 1 8 . 1 1 42 42 ILE H H 42 9.249 9.249 8.339 0.910 18214 2526 1 8 . 1 1 43 43 ASP N N 43 127.951 127.951 128.462 -0.511 18214 2527 1 8 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.817 0.154 18214 2528 1 8 . 1 1 43 43 ASP C C 43 175.505 175.505 174.405 1.100 18214 2529 1 8 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.212 0.758 18214 2530 1 8 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.193 0.017 18214 2531 1 8 . 1 1 43 43 ASP H H 43 8.800 8.800 8.564 0.236 18214 2532 1 8 . 1 1 44 44 HIS N N 44 126.451 126.451 126.951 -0.500 18214 2533 1 8 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.900 0.296 18214 2534 1 8 . 1 1 44 44 HIS C C 44 174.492 174.492 174.732 -0.240 18214 2535 1 8 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.494 -0.834 18214 2536 1 8 . 1 1 44 44 HIS CB C 44 33.900 33.900 31.341 2.559 18214 2537 1 8 . 1 1 44 44 HIS H H 44 9.194 9.194 8.379 0.815 18214 2538 1 8 . 1 1 45 45 ASN N N 45 126.311 126.311 126.859 -0.548 18214 2539 1 8 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.348 -0.208 18214 2540 1 8 . 1 1 45 45 ASN C C 45 174.892 174.892 175.387 -0.495 18214 2541 1 8 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.310 0.350 18214 2542 1 8 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.534 -0.344 18214 2543 1 8 . 1 1 45 45 ASN H H 45 9.057 9.057 9.163 -0.106 18214 2544 1 8 . 1 1 46 46 GLY N N 46 105.469 105.469 103.582 1.887 18214 2545 1 8 . 1 1 46 46 GLY C C 46 173.945 173.945 174.124 -0.179 18214 2546 1 8 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.172 0.268 18214 2547 1 8 . 1 1 46 46 GLY H H 46 8.686 8.686 8.198 0.488 18214 2548 1 8 . 1 1 47 47 GLN N N 47 120.007 120.007 122.495 -2.488 18214 2549 1 8 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.233 0.236 18214 2550 1 8 . 1 1 47 47 GLN C C 47 174.656 174.656 174.948 -0.292 18214 2551 1 8 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.910 -0.760 18214 2552 1 8 . 1 1 47 47 GLN CB C 47 31.070 31.070 29.079 1.991 18214 2553 1 8 . 1 1 47 47 GLN H H 47 7.841 7.841 7.591 0.250 18214 2554 1 8 . 1 1 48 48 GLU N N 48 123.081 123.081 124.856 -1.775 18214 2555 1 8 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.048 -0.309 18214 2556 1 8 . 1 1 48 48 GLU C C 48 175.877 175.877 175.194 0.683 18214 2557 1 8 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.840 1.329 18214 2558 1 8 . 1 1 48 48 GLU CB C 48 30.730 30.730 30.565 0.165 18214 2559 1 8 . 1 1 48 48 GLU H H 48 8.505 8.505 8.540 -0.035 18214 2560 1 8 . 1 1 49 49 TYR N N 49 124.226 124.226 119.428 4.798 18214 2561 1 8 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.907 -0.147 18214 2562 1 8 . 1 1 49 49 TYR C C 49 174.098 174.098 174.304 -0.206 18214 2563 1 8 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.552 1.308 18214 2564 1 8 . 1 1 49 49 TYR CB C 49 41.520 41.520 41.286 0.234 18214 2565 1 8 . 1 1 49 49 TYR H H 49 9.086 9.086 8.292 0.794 18214 2566 1 8 . 1 1 50 50 LEU N N 50 123.506 123.506 122.003 1.503 18214 2567 1 8 . 1 1 50 50 LEU HA H 50 4.841 4.841 5.288 -0.447 18214 2568 1 8 . 1 1 50 50 LEU C C 50 174.459 174.459 174.742 -0.283 18214 2569 1 8 . 1 1 50 50 LEU CA C 50 53.840 53.840 53.912 -0.072 18214 2570 1 8 . 1 1 50 50 LEU CB C 50 43.930 43.930 44.488 -0.558 18214 2571 1 8 . 1 1 50 50 LEU H H 50 9.147 9.147 8.618 0.529 18214 2572 1 8 . 1 1 51 51 LEU N N 51 129.785 129.785 129.684 0.101 18214 2573 1 8 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.240 -0.007 18214 2574 1 8 . 1 1 51 51 LEU C C 51 174.246 174.246 174.390 -0.144 18214 2575 1 8 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.967 -0.027 18214 2576 1 8 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.703 -0.813 18214 2577 1 8 . 1 1 51 51 LEU H H 51 8.803 8.803 8.594 0.209 18214 2578 1 8 . 1 1 52 52 ARG N N 52 121.867 121.867 125.554 -3.687 18214 2579 1 8 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.021 0.271 18214 2580 1 8 . 1 1 52 52 ARG C C 52 173.561 173.561 175.289 -1.728 18214 2581 1 8 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.920 -0.700 18214 2582 1 8 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.242 1.318 18214 2583 1 8 . 1 1 52 52 ARG H H 52 8.740 8.740 8.684 0.056 18214 2584 1 8 . 1 1 53 53 LYS N N 53 118.467 118.467 128.035 -9.568 18214 2585 1 8 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.835 0.325 18214 2586 1 8 . 1 1 53 53 LYS C C 53 176.879 176.879 176.832 0.047 18214 2587 1 8 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.180 -2.520 18214 2588 1 8 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.836 1.964 18214 2589 1 8 . 1 1 53 53 LYS H H 53 7.912 7.912 8.254 -0.342 18214 2590 1 8 . 1 1 54 54 THR N N 54 114.428 114.428 117.573 -3.145 18214 2591 1 8 . 1 1 54 54 THR HA H 54 4.703 4.703 4.473 0.230 18214 2592 1 8 . 1 1 54 54 THR CA C 54 59.430 59.430 61.945 -2.515 18214 2593 1 8 . 1 1 54 54 THR CB C 54 71.730 71.730 70.496 1.234 18214 2594 1 8 . 1 1 54 54 THR H H 54 8.753 8.753 8.204 0.549 18214 2595 1 8 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.305 0.050 18214 2596 1 8 . 1 1 56 56 ALA C C 56 177.569 177.569 177.381 0.188 18214 2597 1 8 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.340 -0.310 18214 2598 1 8 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.807 0.093 18214 2599 1 8 . 1 1 57 57 GLY N N 57 106.509 106.509 105.738 0.771 18214 2600 1 8 . 1 1 57 57 GLY C C 57 174.678 174.678 173.671 1.007 18214 2601 1 8 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.752 0.848 18214 2602 1 8 . 1 1 57 57 GLY H H 57 7.961 7.961 7.836 0.125 18214 2603 1 8 . 1 1 58 58 LYS N N 58 118.787 118.787 118.879 -0.092 18214 2604 1 8 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.699 -0.071 18214 2605 1 8 . 1 1 58 58 LYS C C 58 174.755 174.755 174.866 -0.111 18214 2606 1 8 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.098 0.562 18214 2607 1 8 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.397 -2.447 18214 2608 1 8 . 1 1 58 58 LYS H H 58 7.064 7.064 7.832 -0.768 18214 2609 1 8 . 1 1 59 59 LEU N N 59 117.082 117.082 120.079 -2.997 18214 2610 1 8 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.177 -0.397 18214 2611 1 8 . 1 1 59 59 LEU C C 59 174.903 174.903 176.004 -1.101 18214 2612 1 8 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.625 -0.505 18214 2613 1 8 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.971 0.119 18214 2614 1 8 . 1 1 59 59 LEU H H 59 6.661 6.661 8.317 -1.656 18214 2615 1 8 . 1 1 60 60 LEU N N 60 121.360 121.360 126.173 -4.813 18214 2616 1 8 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.633 -0.279 18214 2617 1 8 . 1 1 60 60 LEU C C 60 174.005 174.005 174.789 -0.784 18214 2618 1 8 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.072 -0.242 18214 2619 1 8 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.322 2.718 18214 2620 1 8 . 1 1 60 60 LEU H H 60 8.457 8.457 8.565 -0.108 18214 2621 1 8 . 1 1 61 61 LEU N N 61 127.886 127.886 129.097 -1.211 18214 2622 1 8 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.919 0.527 18214 2623 1 8 . 1 1 61 61 LEU C C 61 175.910 175.910 176.174 -0.264 18214 2624 1 8 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.515 -0.235 18214 2625 1 8 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.252 4.718 18214 2626 1 8 . 1 1 61 61 LEU H H 61 8.556 8.556 8.715 -0.159 18214 2627 1 8 . 1 1 62 62 THR N N 62 120.607 120.607 118.805 1.802 18214 2628 1 8 . 1 1 62 62 THR HA H 62 4.749 4.749 4.703 0.046 18214 2629 1 8 . 1 1 62 62 THR C C 62 171.903 171.903 173.484 -1.581 18214 2630 1 8 . 1 1 62 62 THR CA C 62 60.240 60.240 60.857 -0.617 18214 2631 1 8 . 1 1 62 62 THR CB C 62 71.970 71.970 71.634 0.336 18214 2632 1 8 . 1 1 62 62 THR H H 62 9.281 9.281 8.891 0.390 18214 2633 1 9 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.456 -0.170 18214 2634 1 9 . 1 1 3 3 ARG C C 3 176.261 176.261 175.195 1.066 18214 2635 1 9 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.194 0.036 18214 2636 1 9 . 1 1 3 3 ARG CB C 3 30.760 30.760 31.194 -0.434 18214 2637 1 9 . 1 1 4 4 MET N N 4 121.127 121.127 127.707 -6.580 18214 2638 1 9 . 1 1 4 4 MET HA H 4 4.392 4.392 4.414 -0.022 18214 2639 1 9 . 1 1 4 4 MET C C 4 175.779 175.779 175.424 0.355 18214 2640 1 9 . 1 1 4 4 MET CA C 4 55.440 55.440 55.092 0.348 18214 2641 1 9 . 1 1 4 4 MET CB C 4 32.820 32.820 32.490 0.330 18214 2642 1 9 . 1 1 4 4 MET H H 4 8.318 8.318 8.677 -0.359 18214 2643 1 9 . 1 1 5 5 ASP N N 5 121.087 121.087 126.726 -5.639 18214 2644 1 9 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.500 0.022 18214 2645 1 9 . 1 1 5 5 ASP C C 5 175.850 175.850 176.288 -0.438 18214 2646 1 9 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.183 0.037 18214 2647 1 9 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.407 -0.207 18214 2648 1 9 . 1 1 5 5 ASP H H 5 8.247 8.247 8.366 -0.119 18214 2649 1 9 . 1 1 6 6 ASN N N 6 119.267 119.267 123.191 -3.924 18214 2650 1 9 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.715 -0.051 18214 2651 1 9 . 1 1 6 6 ASN C C 6 175.478 175.478 175.111 0.367 18214 2652 1 9 . 1 1 6 6 ASN CA C 6 53.370 53.370 52.994 0.376 18214 2653 1 9 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.513 -0.993 18214 2654 1 9 . 1 1 6 6 ASN H H 6 8.320 8.320 8.401 -0.081 18214 2655 1 9 . 1 1 7 7 THR N N 7 114.228 114.228 115.679 -1.451 18214 2656 1 9 . 1 1 7 7 THR HA H 7 4.179 4.179 4.411 -0.232 18214 2657 1 9 . 1 1 7 7 THR C C 7 174.476 174.476 175.024 -0.548 18214 2658 1 9 . 1 1 7 7 THR CA C 7 62.340 62.340 62.521 -0.181 18214 2659 1 9 . 1 1 7 7 THR CB C 7 69.650 69.650 69.477 0.173 18214 2660 1 9 . 1 1 7 7 THR H H 7 8.111 8.111 8.201 -0.090 18214 2661 1 9 . 1 1 8 8 GLU N N 8 122.962 122.962 124.617 -1.655 18214 2662 1 9 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.377 -0.154 18214 2663 1 9 . 1 1 8 8 GLU C C 8 176.020 176.020 176.001 0.019 18214 2664 1 9 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.694 0.535 18214 2665 1 9 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.234 0.026 18214 2666 1 9 . 1 1 8 8 GLU H H 8 8.256 8.256 8.370 -0.114 18214 2667 1 9 . 1 1 9 9 LEU N N 9 124.766 124.766 121.557 3.209 18214 2668 1 9 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.485 -0.002 18214 2669 1 9 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.333 -0.163 18214 2670 1 9 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.123 0.467 18214 2671 1 9 . 1 1 9 9 LEU H H 9 8.130 8.130 8.167 -0.037 18214 2672 1 9 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.293 -0.001 18214 2673 1 9 . 1 1 10 10 PRO C C 10 176.337 176.337 175.974 0.363 18214 2674 1 9 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.575 0.275 18214 2675 1 9 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.200 -0.280 18214 2676 1 9 . 1 1 11 11 HIS N N 11 120.147 120.147 117.759 2.388 18214 2677 1 9 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.581 0.244 18214 2678 1 9 . 1 1 11 11 HIS CA C 11 53.430 53.430 55.354 -1.924 18214 2679 1 9 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.165 0.205 18214 2680 1 9 . 1 1 11 11 HIS H H 11 8.329 8.329 8.242 0.087 18214 2681 1 9 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.603 -0.276 18214 2682 1 9 . 1 1 12 12 PRO C C 12 176.731 176.731 176.044 0.687 18214 2683 1 9 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.436 0.754 18214 2684 1 9 . 1 1 12 12 PRO CB C 12 32.110 32.110 33.006 -0.896 18214 2685 1 9 . 1 1 13 13 LYS N N 13 121.927 121.927 119.326 2.601 18214 2686 1 9 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.464 -0.263 18214 2687 1 9 . 1 1 13 13 LYS C C 13 176.622 176.622 176.365 0.257 18214 2688 1 9 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.670 0.930 18214 2689 1 9 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.988 -0.968 18214 2690 1 9 . 1 1 13 13 LYS H H 13 8.472 8.472 8.452 0.020 18214 2691 1 9 . 1 1 14 14 GLU N N 14 122.532 122.532 121.278 1.254 18214 2692 1 9 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.382 -0.177 18214 2693 1 9 . 1 1 14 14 GLU C C 14 176.326 176.326 175.985 0.341 18214 2694 1 9 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.333 0.237 18214 2695 1 9 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.320 -0.220 18214 2696 1 9 . 1 1 14 14 GLU H H 14 8.442 8.442 8.416 0.026 18214 2697 1 9 . 1 1 15 15 ILE N N 15 121.207 121.207 121.820 -0.613 18214 2698 1 9 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.114 -0.047 18214 2699 1 9 . 1 1 15 15 ILE C C 15 175.680 175.680 176.104 -0.424 18214 2700 1 9 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.353 -0.393 18214 2701 1 9 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.633 0.217 18214 2702 1 9 . 1 1 15 15 ILE H H 15 8.068 8.068 8.257 -0.189 18214 2703 1 9 . 1 1 16 16 ASP N N 16 124.246 124.246 126.970 -2.724 18214 2704 1 9 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.754 -0.230 18214 2705 1 9 . 1 1 16 16 ASP C C 16 175.965 175.965 175.055 0.910 18214 2706 1 9 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.856 0.694 18214 2707 1 9 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.930 -0.960 18214 2708 1 9 . 1 1 16 16 ASP H H 16 8.284 8.284 8.580 -0.296 18214 2709 1 9 . 1 1 17 17 ASN N N 17 119.667 119.667 121.677 -2.010 18214 2710 1 9 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.910 -0.333 18214 2711 1 9 . 1 1 17 17 ASN C C 17 175.417 175.417 174.934 0.483 18214 2712 1 9 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.237 0.453 18214 2713 1 9 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.729 -0.929 18214 2714 1 9 . 1 1 17 17 ASN H H 17 8.317 8.317 8.701 -0.384 18214 2715 1 9 . 1 1 18 18 GLU N N 18 120.842 120.842 123.153 -2.311 18214 2716 1 9 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.513 -0.316 18214 2717 1 9 . 1 1 18 18 GLU C C 18 176.704 176.704 175.776 0.928 18214 2718 1 9 . 1 1 18 18 GLU CA C 18 56.770 56.770 55.809 0.961 18214 2719 1 9 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.345 0.755 18214 2720 1 9 . 1 1 18 18 GLU H H 18 8.407 8.407 8.670 -0.263 18214 2721 1 9 . 1 1 19 19 THR N N 19 115.248 115.248 117.409 -2.161 18214 2722 1 9 . 1 1 19 19 THR HA H 19 4.177 4.177 4.267 -0.090 18214 2723 1 9 . 1 1 19 19 THR C C 19 174.186 174.186 174.930 -0.744 18214 2724 1 9 . 1 1 19 19 THR CA C 19 62.250 62.250 63.222 -0.973 18214 2725 1 9 . 1 1 19 19 THR CB C 19 69.650 69.650 69.269 0.381 18214 2726 1 9 . 1 1 19 19 THR H H 19 8.074 8.074 7.962 0.112 18214 2727 1 9 . 1 1 20 20 LEU N N 20 124.826 124.826 127.251 -2.425 18214 2728 1 9 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.377 -0.113 18214 2729 1 9 . 1 1 20 20 LEU C C 20 176.698 176.698 177.079 -0.381 18214 2730 1 9 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.298 0.282 18214 2731 1 9 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.461 -0.351 18214 2732 1 9 . 1 1 20 20 LEU H H 20 8.074 8.074 8.357 -0.283 18214 2733 1 9 . 1 1 21 21 LEU N N 21 124.466 124.466 122.310 2.156 18214 2734 1 9 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.652 -0.140 18214 2735 1 9 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.243 -0.663 18214 2736 1 9 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.535 0.325 18214 2737 1 9 . 1 1 21 21 LEU H H 21 8.088 8.088 8.153 -0.065 18214 2738 1 9 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.460 -0.168 18214 2739 1 9 . 1 1 22 22 PRO C C 22 176.540 176.540 177.323 -0.783 18214 2740 1 9 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.485 0.425 18214 2741 1 9 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.297 -0.167 18214 2742 1 9 . 1 1 23 23 ALA N N 23 124.451 124.451 124.350 0.101 18214 2743 1 9 . 1 1 23 23 ALA HA H 23 4.158 4.158 3.979 0.179 18214 2744 1 9 . 1 1 23 23 ALA C C 23 177.005 177.005 176.052 0.953 18214 2745 1 9 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.419 -2.189 18214 2746 1 9 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.176 0.134 18214 2747 1 9 . 1 1 23 23 ALA H H 23 8.314 8.314 8.758 -0.444 18214 2748 1 9 . 1 1 24 24 ALA N N 24 121.792 121.792 117.231 4.561 18214 2749 1 9 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.568 -0.312 18214 2750 1 9 . 1 1 24 24 ALA C C 24 177.065 177.065 175.559 1.506 18214 2751 1 9 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.820 0.030 18214 2752 1 9 . 1 1 24 24 ALA CB C 24 20.300 20.300 21.006 -0.706 18214 2753 1 9 . 1 1 24 24 ALA H H 24 7.994 7.994 7.743 0.251 18214 2754 1 9 . 1 1 25 25 GLU N N 25 120.287 120.287 118.182 2.105 18214 2755 1 9 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.329 -0.203 18214 2756 1 9 . 1 1 25 25 GLU C C 25 176.233 176.233 176.278 -0.045 18214 2757 1 9 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.444 1.365 18214 2758 1 9 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.505 0.735 18214 2759 1 9 . 1 1 25 25 GLU H H 25 8.404 8.404 8.388 0.016 18214 2760 1 9 . 1 1 26 26 ARG N N 26 123.246 123.246 122.224 1.022 18214 2761 1 9 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.225 0.110 18214 2762 1 9 . 1 1 26 26 ARG C C 26 174.514 174.514 175.694 -1.180 18214 2763 1 9 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.916 1.264 18214 2764 1 9 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.073 2.267 18214 2765 1 9 . 1 1 26 26 ARG H H 26 8.598 8.598 8.021 0.577 18214 2766 1 9 . 1 1 27 27 ARG N N 27 123.563 123.563 127.432 -3.869 18214 2767 1 9 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.540 0.904 18214 2768 1 9 . 1 1 27 27 ARG C C 27 175.308 175.308 175.885 -0.577 18214 2769 1 9 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.399 -2.229 18214 2770 1 9 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.183 5.317 18214 2771 1 9 . 1 1 27 27 ARG H H 27 8.230 8.230 8.189 0.041 18214 2772 1 9 . 1 1 28 28 VAL N N 28 120.927 120.927 120.104 0.823 18214 2773 1 9 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.591 -0.156 18214 2774 1 9 . 1 1 28 28 VAL C C 28 173.178 173.178 175.184 -2.006 18214 2775 1 9 . 1 1 28 28 VAL CA C 28 59.790 59.790 58.910 0.880 18214 2776 1 9 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.395 0.115 18214 2777 1 9 . 1 1 28 28 VAL H H 28 9.062 9.062 8.429 0.633 18214 2778 1 9 . 1 1 29 29 ASN N N 29 124.526 124.526 119.936 4.590 18214 2779 1 9 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.865 0.288 18214 2780 1 9 . 1 1 29 29 ASN C C 29 177.848 177.848 177.684 0.164 18214 2781 1 9 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.684 -1.524 18214 2782 1 9 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.084 1.006 18214 2783 1 9 . 1 1 29 29 ASN H H 29 8.779 8.779 8.589 0.190 18214 2784 1 9 . 1 1 30 30 SER N N 30 123.081 123.081 116.969 6.112 18214 2785 1 9 . 1 1 30 30 SER HA H 30 3.730 3.730 4.060 -0.330 18214 2786 1 9 . 1 1 30 30 SER C C 30 175.833 175.833 176.451 -0.618 18214 2787 1 9 . 1 1 30 30 SER CA C 30 62.010 62.010 61.824 0.186 18214 2788 1 9 . 1 1 30 30 SER CB C 30 60.920 60.920 63.056 -2.136 18214 2789 1 9 . 1 1 30 30 SER H H 30 9.338 9.338 8.506 0.832 18214 2790 1 9 . 1 1 31 31 GLN N N 31 122.307 122.307 120.830 1.477 18214 2791 1 9 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.145 -0.112 18214 2792 1 9 . 1 1 31 31 GLN C C 31 177.569 177.569 176.343 1.226 18214 2793 1 9 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.660 1.090 18214 2794 1 9 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.049 -0.239 18214 2795 1 9 . 1 1 31 31 GLN H H 31 8.938 8.938 8.449 0.489 18214 2796 1 9 . 1 1 32 32 ALA N N 32 119.987 119.987 121.794 -1.807 18214 2797 1 9 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.605 -0.377 18214 2798 1 9 . 1 1 32 32 ALA C C 32 177.908 177.908 177.833 0.075 18214 2799 1 9 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.868 2.142 18214 2800 1 9 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.912 -0.022 18214 2801 1 9 . 1 1 32 32 ALA H H 32 7.477 7.477 7.619 -0.142 18214 2802 1 9 . 1 1 33 33 LEU N N 33 117.867 117.867 116.424 1.443 18214 2803 1 9 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.017 0.105 18214 2804 1 9 . 1 1 33 33 LEU C C 33 176.348 176.348 176.631 -0.283 18214 2805 1 9 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.106 -0.826 18214 2806 1 9 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.016 2.654 18214 2807 1 9 . 1 1 33 33 LEU H H 33 7.269 7.269 7.336 -0.067 18214 2808 1 9 . 1 1 34 34 LEU N N 34 114.642 114.642 114.074 0.568 18214 2809 1 9 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.554 -0.854 18214 2810 1 9 . 1 1 34 34 LEU C C 34 177.870 177.870 177.702 0.168 18214 2811 1 9 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.037 1.363 18214 2812 1 9 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.905 -1.555 18214 2813 1 9 . 1 1 34 34 LEU H H 34 7.915 7.915 7.589 0.326 18214 2814 1 9 . 1 1 35 35 GLY N N 35 104.529 104.529 107.503 -2.974 18214 2815 1 9 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.184 -0.574 18214 2816 1 9 . 1 1 35 35 GLY H H 35 7.650 7.650 7.977 -0.327 18214 2817 1 9 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.388 -0.065 18214 2818 1 9 . 1 1 36 36 PRO C C 36 177.043 177.043 176.376 0.667 18214 2819 1 9 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.556 0.124 18214 2820 1 9 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.819 -0.259 18214 2821 1 9 . 1 1 37 37 ASP N N 37 115.648 115.648 118.005 -2.357 18214 2822 1 9 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.576 -0.080 18214 2823 1 9 . 1 1 37 37 ASP C C 37 177.279 177.279 177.164 0.115 18214 2824 1 9 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.719 -1.509 18214 2825 1 9 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.874 -0.684 18214 2826 1 9 . 1 1 37 37 ASP H H 37 8.500 8.500 8.109 0.391 18214 2827 1 9 . 1 1 38 38 GLY N N 38 107.249 107.249 106.333 0.916 18214 2828 1 9 . 1 1 38 38 GLY C C 38 172.445 172.445 173.209 -0.764 18214 2829 1 9 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.615 1.505 18214 2830 1 9 . 1 1 38 38 GLY H H 38 8.084 8.084 8.254 -0.170 18214 2831 1 9 . 1 1 39 39 LYS N N 39 115.188 115.188 118.950 -3.762 18214 2832 1 9 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.381 0.008 18214 2833 1 9 . 1 1 39 39 LYS C C 39 175.182 175.182 175.215 -0.033 18214 2834 1 9 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.874 0.036 18214 2835 1 9 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.836 2.044 18214 2836 1 9 . 1 1 39 39 LYS H H 39 7.244 7.244 7.296 -0.052 18214 2837 1 9 . 1 1 40 40 VAL N N 40 120.767 120.767 114.952 5.815 18214 2838 1 9 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.715 -0.353 18214 2839 1 9 . 1 1 40 40 VAL C C 40 171.344 171.344 174.280 -2.936 18214 2840 1 9 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.272 2.068 18214 2841 1 9 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.889 -0.759 18214 2842 1 9 . 1 1 40 40 VAL H H 40 8.914 8.914 8.756 0.158 18214 2843 1 9 . 1 1 41 41 ILE N N 41 127.866 127.866 119.913 7.953 18214 2844 1 9 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.426 0.303 18214 2845 1 9 . 1 1 41 41 ILE C C 41 175.237 175.237 175.559 -0.322 18214 2846 1 9 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.599 -0.689 18214 2847 1 9 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.340 0.860 18214 2848 1 9 . 1 1 41 41 ILE H H 41 8.114 8.114 7.878 0.236 18214 2849 1 9 . 1 1 42 42 ILE N N 42 126.986 126.986 129.490 -2.504 18214 2850 1 9 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.357 0.443 18214 2851 1 9 . 1 1 42 42 ILE C C 42 175.187 175.187 174.913 0.274 18214 2852 1 9 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.560 -1.730 18214 2853 1 9 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.969 1.841 18214 2854 1 9 . 1 1 42 42 ILE H H 42 9.249 9.249 8.880 0.369 18214 2855 1 9 . 1 1 43 43 ASP N N 43 127.951 127.951 129.501 -1.550 18214 2856 1 9 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.194 -0.223 18214 2857 1 9 . 1 1 43 43 ASP C C 43 175.505 175.505 174.494 1.011 18214 2858 1 9 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.037 0.933 18214 2859 1 9 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.915 -0.705 18214 2860 1 9 . 1 1 43 43 ASP H H 43 8.800 8.800 8.743 0.057 18214 2861 1 9 . 1 1 44 44 HIS N N 44 126.451 126.451 125.491 0.960 18214 2862 1 9 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.873 0.323 18214 2863 1 9 . 1 1 44 44 HIS C C 44 174.492 174.492 173.737 0.755 18214 2864 1 9 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.219 -1.559 18214 2865 1 9 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.667 1.233 18214 2866 1 9 . 1 1 44 44 HIS H H 44 9.194 9.194 8.240 0.954 18214 2867 1 9 . 1 1 45 45 ASN N N 45 126.311 126.311 125.338 0.973 18214 2868 1 9 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.269 -0.129 18214 2869 1 9 . 1 1 45 45 ASN C C 45 174.892 174.892 175.095 -0.203 18214 2870 1 9 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.321 0.339 18214 2871 1 9 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.526 -0.336 18214 2872 1 9 . 1 1 45 45 ASN H H 45 9.057 9.057 9.159 -0.102 18214 2873 1 9 . 1 1 46 46 GLY N N 46 105.469 105.469 102.645 2.824 18214 2874 1 9 . 1 1 46 46 GLY C C 46 173.945 173.945 174.280 -0.335 18214 2875 1 9 . 1 1 46 46 GLY CA C 46 45.440 45.440 44.965 0.475 18214 2876 1 9 . 1 1 46 46 GLY H H 46 8.686 8.686 8.516 0.170 18214 2877 1 9 . 1 1 47 47 GLN N N 47 120.007 120.007 119.808 0.199 18214 2878 1 9 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.395 0.074 18214 2879 1 9 . 1 1 47 47 GLN C C 47 174.656 174.656 174.310 0.346 18214 2880 1 9 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.892 -0.741 18214 2881 1 9 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.077 0.993 18214 2882 1 9 . 1 1 47 47 GLN H H 47 7.841 7.841 7.641 0.200 18214 2883 1 9 . 1 1 48 48 GLU N N 48 123.081 123.081 119.777 3.304 18214 2884 1 9 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.193 -0.454 18214 2885 1 9 . 1 1 48 48 GLU C C 48 175.877 175.877 175.032 0.845 18214 2886 1 9 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.397 1.773 18214 2887 1 9 . 1 1 48 48 GLU CB C 48 30.730 30.730 31.966 -1.236 18214 2888 1 9 . 1 1 48 48 GLU H H 48 8.505 8.505 8.380 0.125 18214 2889 1 9 . 1 1 49 49 TYR N N 49 124.226 124.226 118.403 5.823 18214 2890 1 9 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.806 -0.046 18214 2891 1 9 . 1 1 49 49 TYR C C 49 174.098 174.098 173.898 0.200 18214 2892 1 9 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.587 1.273 18214 2893 1 9 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.769 0.751 18214 2894 1 9 . 1 1 49 49 TYR H H 49 9.086 9.086 8.138 0.948 18214 2895 1 9 . 1 1 50 50 LEU N N 50 123.506 123.506 124.983 -1.477 18214 2896 1 9 . 1 1 50 50 LEU HA H 50 4.841 4.841 5.036 -0.195 18214 2897 1 9 . 1 1 50 50 LEU C C 50 174.459 174.459 174.950 -0.491 18214 2898 1 9 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.191 -0.351 18214 2899 1 9 . 1 1 50 50 LEU CB C 50 43.930 43.930 43.177 0.753 18214 2900 1 9 . 1 1 50 50 LEU H H 50 9.147 9.147 8.645 0.502 18214 2901 1 9 . 1 1 51 51 LEU N N 51 129.785 129.785 128.631 1.154 18214 2902 1 9 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.443 -0.210 18214 2903 1 9 . 1 1 51 51 LEU C C 51 174.246 174.246 174.206 0.040 18214 2904 1 9 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.820 0.120 18214 2905 1 9 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.947 -2.057 18214 2906 1 9 . 1 1 51 51 LEU H H 51 8.803 8.803 8.705 0.098 18214 2907 1 9 . 1 1 52 52 ARG N N 52 121.867 121.867 122.526 -0.659 18214 2908 1 9 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.099 0.193 18214 2909 1 9 . 1 1 52 52 ARG C C 52 173.561 173.561 175.008 -1.447 18214 2910 1 9 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.850 -0.630 18214 2911 1 9 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.681 0.879 18214 2912 1 9 . 1 1 52 52 ARG H H 52 8.740 8.740 8.519 0.221 18214 2913 1 9 . 1 1 53 53 LYS N N 53 118.467 118.467 125.665 -7.198 18214 2914 1 9 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.692 0.468 18214 2915 1 9 . 1 1 53 53 LYS C C 53 176.879 176.879 176.769 0.110 18214 2916 1 9 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.018 -2.358 18214 2917 1 9 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.952 1.848 18214 2918 1 9 . 1 1 53 53 LYS H H 53 7.912 7.912 8.360 -0.448 18214 2919 1 9 . 1 1 54 54 THR N N 54 114.428 114.428 117.589 -3.161 18214 2920 1 9 . 1 1 54 54 THR HA H 54 4.703 4.703 4.291 0.412 18214 2921 1 9 . 1 1 54 54 THR CA C 54 59.430 59.430 62.286 -2.856 18214 2922 1 9 . 1 1 54 54 THR CB C 54 71.730 71.730 70.322 1.408 18214 2923 1 9 . 1 1 54 54 THR H H 54 8.753 8.753 8.145 0.608 18214 2924 1 9 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.262 0.093 18214 2925 1 9 . 1 1 56 56 ALA C C 56 177.569 177.569 177.811 -0.242 18214 2926 1 9 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.587 -0.557 18214 2927 1 9 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.804 0.096 18214 2928 1 9 . 1 1 57 57 GLY N N 57 106.509 106.509 104.968 1.541 18214 2929 1 9 . 1 1 57 57 GLY C C 57 174.678 174.678 173.834 0.844 18214 2930 1 9 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.716 0.884 18214 2931 1 9 . 1 1 57 57 GLY H H 57 7.961 7.961 7.839 0.122 18214 2932 1 9 . 1 1 58 58 LYS N N 58 118.787 118.787 118.743 0.044 18214 2933 1 9 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.697 -0.069 18214 2934 1 9 . 1 1 58 58 LYS C C 58 174.755 174.755 175.176 -0.421 18214 2935 1 9 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.178 0.482 18214 2936 1 9 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.335 -2.385 18214 2937 1 9 . 1 1 58 58 LYS H H 58 7.064 7.064 7.901 -0.837 18214 2938 1 9 . 1 1 59 59 LEU N N 59 117.082 117.082 118.758 -1.676 18214 2939 1 9 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.270 -0.490 18214 2940 1 9 . 1 1 59 59 LEU C C 59 174.903 174.903 175.897 -0.994 18214 2941 1 9 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.082 0.038 18214 2942 1 9 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.130 -0.041 18214 2943 1 9 . 1 1 59 59 LEU H H 59 6.661 6.661 8.163 -1.502 18214 2944 1 9 . 1 1 60 60 LEU N N 60 121.360 121.360 120.975 0.385 18214 2945 1 9 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.534 -0.179 18214 2946 1 9 . 1 1 60 60 LEU C C 60 174.005 174.005 174.804 -0.799 18214 2947 1 9 . 1 1 60 60 LEU CA C 60 53.830 53.830 55.151 -1.321 18214 2948 1 9 . 1 1 60 60 LEU CB C 60 47.040 47.040 45.393 1.647 18214 2949 1 9 . 1 1 60 60 LEU H H 60 8.457 8.457 8.244 0.213 18214 2950 1 9 . 1 1 61 61 LEU N N 61 127.886 127.886 129.308 -1.422 18214 2951 1 9 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.204 0.242 18214 2952 1 9 . 1 1 61 61 LEU C C 61 175.910 175.910 176.608 -0.698 18214 2953 1 9 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.155 -0.875 18214 2954 1 9 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.763 4.207 18214 2955 1 9 . 1 1 61 61 LEU H H 61 8.556 8.556 8.487 0.069 18214 2956 1 9 . 1 1 62 62 THR N N 62 120.607 120.607 119.706 0.901 18214 2957 1 9 . 1 1 62 62 THR HA H 62 4.749 4.749 4.674 0.075 18214 2958 1 9 . 1 1 62 62 THR C C 62 171.903 171.903 173.932 -2.029 18214 2959 1 9 . 1 1 62 62 THR CA C 62 60.240 60.240 60.478 -0.238 18214 2960 1 9 . 1 1 62 62 THR CB C 62 71.970 71.970 70.967 1.003 18214 2961 1 9 . 1 1 62 62 THR H H 62 9.281 9.281 8.973 0.308 18214 2962 1 10 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.260 0.026 18214 2963 1 10 . 1 1 3 3 ARG C C 3 176.261 176.261 178.137 -1.876 18214 2964 1 10 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.817 -0.587 18214 2965 1 10 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.353 0.407 18214 2966 1 10 . 1 1 4 4 MET N N 4 121.127 121.127 120.074 1.053 18214 2967 1 10 . 1 1 4 4 MET HA H 4 4.392 4.392 4.282 0.110 18214 2968 1 10 . 1 1 4 4 MET C C 4 175.779 175.779 176.379 -0.600 18214 2969 1 10 . 1 1 4 4 MET CA C 4 55.440 55.440 57.361 -1.921 18214 2970 1 10 . 1 1 4 4 MET CB C 4 32.820 32.820 32.351 0.469 18214 2971 1 10 . 1 1 4 4 MET H H 4 8.318 8.318 7.779 0.539 18214 2972 1 10 . 1 1 5 5 ASP N N 5 121.087 121.087 120.353 0.734 18214 2973 1 10 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.784 -0.262 18214 2974 1 10 . 1 1 5 5 ASP C C 5 175.850 175.850 174.369 1.481 18214 2975 1 10 . 1 1 5 5 ASP CA C 5 54.220 54.220 53.920 0.300 18214 2976 1 10 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.582 -0.382 18214 2977 1 10 . 1 1 5 5 ASP H H 5 8.247 8.247 8.084 0.163 18214 2978 1 10 . 1 1 6 6 ASN N N 6 119.267 119.267 122.892 -3.625 18214 2979 1 10 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.860 -0.196 18214 2980 1 10 . 1 1 6 6 ASN C C 6 175.478 175.478 175.107 0.371 18214 2981 1 10 . 1 1 6 6 ASN CA C 6 53.370 53.370 51.917 1.453 18214 2982 1 10 . 1 1 6 6 ASN CB C 6 38.520 38.520 40.670 -2.150 18214 2983 1 10 . 1 1 6 6 ASN H H 6 8.320 8.320 8.545 -0.225 18214 2984 1 10 . 1 1 7 7 THR N N 7 114.228 114.228 118.154 -3.926 18214 2985 1 10 . 1 1 7 7 THR HA H 7 4.179 4.179 4.317 -0.138 18214 2986 1 10 . 1 1 7 7 THR C C 7 174.476 174.476 174.379 0.097 18214 2987 1 10 . 1 1 7 7 THR CA C 7 62.340 62.340 63.072 -0.732 18214 2988 1 10 . 1 1 7 7 THR CB C 7 69.650 69.650 69.011 0.639 18214 2989 1 10 . 1 1 7 7 THR H H 7 8.111 8.111 8.446 -0.335 18214 2990 1 10 . 1 1 8 8 GLU N N 8 122.962 122.962 126.863 -3.901 18214 2991 1 10 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.345 -0.122 18214 2992 1 10 . 1 1 8 8 GLU C C 8 176.020 176.020 176.492 -0.472 18214 2993 1 10 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.611 0.619 18214 2994 1 10 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.836 -0.576 18214 2995 1 10 . 1 1 8 8 GLU H H 8 8.256 8.256 8.468 -0.212 18214 2996 1 10 . 1 1 9 9 LEU N N 9 124.766 124.766 125.570 -0.804 18214 2997 1 10 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.401 0.082 18214 2998 1 10 . 1 1 9 9 LEU CA C 9 53.170 53.170 54.471 -1.301 18214 2999 1 10 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.076 0.514 18214 3000 1 10 . 1 1 9 9 LEU H H 9 8.130 8.130 8.514 -0.384 18214 3001 1 10 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.746 -0.454 18214 3002 1 10 . 1 1 10 10 PRO C C 10 176.337 176.337 175.776 0.561 18214 3003 1 10 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.411 0.439 18214 3004 1 10 . 1 1 10 10 PRO CB C 10 31.920 31.920 33.010 -1.090 18214 3005 1 10 . 1 1 11 11 HIS N N 11 120.147 120.147 119.424 0.723 18214 3006 1 10 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.766 0.059 18214 3007 1 10 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.420 -0.990 18214 3008 1 10 . 1 1 11 11 HIS CB C 11 29.370 29.370 31.513 -2.143 18214 3009 1 10 . 1 1 11 11 HIS H H 11 8.329 8.329 8.413 -0.084 18214 3010 1 10 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.426 -0.099 18214 3011 1 10 . 1 1 12 12 PRO C C 12 176.731 176.731 175.443 1.288 18214 3012 1 10 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.358 0.832 18214 3013 1 10 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.598 -0.488 18214 3014 1 10 . 1 1 13 13 LYS N N 13 121.927 121.927 121.125 0.802 18214 3015 1 10 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.399 -0.198 18214 3016 1 10 . 1 1 13 13 LYS C C 13 176.622 176.622 176.033 0.589 18214 3017 1 10 . 1 1 13 13 LYS CA C 13 56.600 56.600 54.957 1.643 18214 3018 1 10 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.433 -0.413 18214 3019 1 10 . 1 1 13 13 LYS H H 13 8.472 8.472 8.041 0.431 18214 3020 1 10 . 1 1 14 14 GLU N N 14 122.532 122.532 121.352 1.180 18214 3021 1 10 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.332 -0.127 18214 3022 1 10 . 1 1 14 14 GLU C C 14 176.326 176.326 176.233 0.093 18214 3023 1 10 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.178 0.392 18214 3024 1 10 . 1 1 14 14 GLU CB C 14 30.100 30.100 28.443 1.657 18214 3025 1 10 . 1 1 14 14 GLU H H 14 8.442 8.442 8.602 -0.160 18214 3026 1 10 . 1 1 15 15 ILE N N 15 121.207 121.207 125.248 -4.041 18214 3027 1 10 . 1 1 15 15 ILE HA H 15 4.067 4.067 3.858 0.209 18214 3028 1 10 . 1 1 15 15 ILE C C 15 175.680 175.680 176.144 -0.464 18214 3029 1 10 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.516 -0.556 18214 3030 1 10 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.554 1.296 18214 3031 1 10 . 1 1 15 15 ILE H H 15 8.068 8.068 8.166 -0.098 18214 3032 1 10 . 1 1 16 16 ASP N N 16 124.246 124.246 127.364 -3.118 18214 3033 1 10 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.446 0.078 18214 3034 1 10 . 1 1 16 16 ASP C C 16 175.965 175.965 175.009 0.956 18214 3035 1 10 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.724 -0.174 18214 3036 1 10 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.504 -0.534 18214 3037 1 10 . 1 1 16 16 ASP H H 16 8.284 8.284 8.429 -0.145 18214 3038 1 10 . 1 1 17 17 ASN N N 17 119.667 119.667 120.957 -1.290 18214 3039 1 10 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.797 -0.220 18214 3040 1 10 . 1 1 17 17 ASN C C 17 175.417 175.417 174.123 1.294 18214 3041 1 10 . 1 1 17 17 ASN CA C 17 53.690 53.690 52.979 0.711 18214 3042 1 10 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.260 -0.460 18214 3043 1 10 . 1 1 17 17 ASN H H 17 8.317 8.317 8.494 -0.177 18214 3044 1 10 . 1 1 18 18 GLU N N 18 120.842 120.842 122.599 -1.757 18214 3045 1 10 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.317 -0.120 18214 3046 1 10 . 1 1 18 18 GLU C C 18 176.704 176.704 176.141 0.563 18214 3047 1 10 . 1 1 18 18 GLU CA C 18 56.770 56.770 57.292 -0.522 18214 3048 1 10 . 1 1 18 18 GLU CB C 18 30.100 30.100 30.218 -0.118 18214 3049 1 10 . 1 1 18 18 GLU H H 18 8.407 8.407 8.036 0.371 18214 3050 1 10 . 1 1 19 19 THR N N 19 115.248 115.248 119.194 -3.946 18214 3051 1 10 . 1 1 19 19 THR HA H 19 4.177 4.177 4.535 -0.358 18214 3052 1 10 . 1 1 19 19 THR C C 19 174.186 174.186 174.427 -0.241 18214 3053 1 10 . 1 1 19 19 THR CA C 19 62.250 62.250 61.831 0.419 18214 3054 1 10 . 1 1 19 19 THR CB C 19 69.650 69.650 69.351 0.299 18214 3055 1 10 . 1 1 19 19 THR H H 19 8.074 8.074 8.309 -0.235 18214 3056 1 10 . 1 1 20 20 LEU N N 20 124.826 124.826 125.463 -0.637 18214 3057 1 10 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.434 -0.170 18214 3058 1 10 . 1 1 20 20 LEU C C 20 176.698 176.698 177.447 -0.749 18214 3059 1 10 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.506 0.074 18214 3060 1 10 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.503 -0.393 18214 3061 1 10 . 1 1 20 20 LEU H H 20 8.074 8.074 8.475 -0.401 18214 3062 1 10 . 1 1 21 21 LEU N N 21 124.466 124.466 124.702 -0.236 18214 3063 1 10 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.712 -0.200 18214 3064 1 10 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.975 -0.395 18214 3065 1 10 . 1 1 21 21 LEU CB C 21 41.860 41.860 42.475 -0.615 18214 3066 1 10 . 1 1 21 21 LEU H H 21 8.088 8.088 8.205 -0.117 18214 3067 1 10 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.502 -0.210 18214 3068 1 10 . 1 1 22 22 PRO C C 22 176.540 176.540 176.718 -0.178 18214 3069 1 10 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.821 0.090 18214 3070 1 10 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.615 -0.485 18214 3071 1 10 . 1 1 23 23 ALA N N 23 124.451 124.451 127.735 -3.284 18214 3072 1 10 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.030 0.128 18214 3073 1 10 . 1 1 23 23 ALA C C 23 177.005 177.005 176.588 0.417 18214 3074 1 10 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.027 -1.797 18214 3075 1 10 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.055 0.255 18214 3076 1 10 . 1 1 23 23 ALA H H 23 8.314 8.314 8.501 -0.187 18214 3077 1 10 . 1 1 24 24 ALA N N 24 121.792 121.792 118.854 2.938 18214 3078 1 10 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.482 -0.226 18214 3079 1 10 . 1 1 24 24 ALA C C 24 177.065 177.065 175.668 1.397 18214 3080 1 10 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.949 -0.099 18214 3081 1 10 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.630 -0.330 18214 3082 1 10 . 1 1 24 24 ALA H H 24 7.994 7.994 7.521 0.473 18214 3083 1 10 . 1 1 25 25 GLU N N 25 120.287 120.287 120.592 -0.305 18214 3084 1 10 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.270 -0.144 18214 3085 1 10 . 1 1 25 25 GLU C C 25 176.233 176.233 176.382 -0.149 18214 3086 1 10 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.844 0.966 18214 3087 1 10 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.259 0.981 18214 3088 1 10 . 1 1 25 25 GLU H H 25 8.404 8.404 8.538 -0.134 18214 3089 1 10 . 1 1 26 26 ARG N N 26 123.246 123.246 122.068 1.178 18214 3090 1 10 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.195 0.140 18214 3091 1 10 . 1 1 26 26 ARG C C 26 174.514 174.514 175.563 -1.049 18214 3092 1 10 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.136 1.044 18214 3093 1 10 . 1 1 26 26 ARG CB C 26 31.340 31.340 28.840 2.500 18214 3094 1 10 . 1 1 26 26 ARG H H 26 8.598 8.598 8.044 0.554 18214 3095 1 10 . 1 1 27 27 ARG N N 27 123.563 123.563 126.308 -2.745 18214 3096 1 10 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.634 0.810 18214 3097 1 10 . 1 1 27 27 ARG C C 27 175.308 175.308 175.885 -0.577 18214 3098 1 10 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.222 -2.052 18214 3099 1 10 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.570 4.930 18214 3100 1 10 . 1 1 27 27 ARG H H 27 8.230 8.230 8.125 0.105 18214 3101 1 10 . 1 1 28 28 VAL N N 28 120.927 120.927 120.064 0.863 18214 3102 1 10 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.600 -0.165 18214 3103 1 10 . 1 1 28 28 VAL C C 28 173.178 173.178 174.466 -1.288 18214 3104 1 10 . 1 1 28 28 VAL CA C 28 59.790 59.790 58.857 0.933 18214 3105 1 10 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.478 0.032 18214 3106 1 10 . 1 1 28 28 VAL H H 28 9.062 9.062 8.307 0.755 18214 3107 1 10 . 1 1 29 29 ASN N N 29 124.526 124.526 120.205 4.321 18214 3108 1 10 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.968 0.185 18214 3109 1 10 . 1 1 29 29 ASN C C 29 177.848 177.848 177.448 0.400 18214 3110 1 10 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.678 -0.518 18214 3111 1 10 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.727 0.363 18214 3112 1 10 . 1 1 29 29 ASN H H 29 8.779 8.779 8.548 0.231 18214 3113 1 10 . 1 1 30 30 SER N N 30 123.081 123.081 119.014 4.067 18214 3114 1 10 . 1 1 30 30 SER HA H 30 3.730 3.730 4.109 -0.379 18214 3115 1 10 . 1 1 30 30 SER C C 30 175.833 175.833 176.752 -0.919 18214 3116 1 10 . 1 1 30 30 SER CA C 30 62.010 62.010 61.689 0.321 18214 3117 1 10 . 1 1 30 30 SER CB C 30 60.920 60.920 63.107 -2.187 18214 3118 1 10 . 1 1 30 30 SER H H 30 9.338 9.338 8.678 0.660 18214 3119 1 10 . 1 1 31 31 GLN N N 31 122.307 122.307 121.683 0.624 18214 3120 1 10 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.168 -0.135 18214 3121 1 10 . 1 1 31 31 GLN C C 31 177.569 177.569 176.561 1.008 18214 3122 1 10 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.057 0.693 18214 3123 1 10 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.430 -0.620 18214 3124 1 10 . 1 1 31 31 GLN H H 31 8.938 8.938 8.517 0.421 18214 3125 1 10 . 1 1 32 32 ALA N N 32 119.987 119.987 120.702 -0.715 18214 3126 1 10 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.634 -0.406 18214 3127 1 10 . 1 1 32 32 ALA C C 32 177.908 177.908 178.016 -0.108 18214 3128 1 10 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.913 2.096 18214 3129 1 10 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.779 0.111 18214 3130 1 10 . 1 1 32 32 ALA H H 32 7.477 7.477 7.719 -0.242 18214 3131 1 10 . 1 1 33 33 LEU N N 33 117.867 117.867 116.729 1.138 18214 3132 1 10 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.012 0.110 18214 3133 1 10 . 1 1 33 33 LEU C C 33 176.348 176.348 176.525 -0.177 18214 3134 1 10 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.100 -0.820 18214 3135 1 10 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.033 2.637 18214 3136 1 10 . 1 1 33 33 LEU H H 33 7.269 7.269 7.370 -0.101 18214 3137 1 10 . 1 1 34 34 LEU N N 34 114.642 114.642 114.518 0.124 18214 3138 1 10 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.532 -0.832 18214 3139 1 10 . 1 1 34 34 LEU C C 34 177.870 177.870 177.899 -0.029 18214 3140 1 10 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.188 1.212 18214 3141 1 10 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.660 -1.310 18214 3142 1 10 . 1 1 34 34 LEU H H 34 7.915 7.915 7.602 0.313 18214 3143 1 10 . 1 1 35 35 GLY N N 35 104.529 104.529 107.801 -3.272 18214 3144 1 10 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.528 -0.918 18214 3145 1 10 . 1 1 35 35 GLY H H 35 7.650 7.650 8.087 -0.437 18214 3146 1 10 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.427 -0.104 18214 3147 1 10 . 1 1 36 36 PRO C C 36 177.043 177.043 176.435 0.608 18214 3148 1 10 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.506 0.174 18214 3149 1 10 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.853 -0.293 18214 3150 1 10 . 1 1 37 37 ASP N N 37 115.648 115.648 118.846 -3.198 18214 3151 1 10 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.608 -0.112 18214 3152 1 10 . 1 1 37 37 ASP C C 37 177.279 177.279 177.417 -0.138 18214 3153 1 10 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.557 -1.347 18214 3154 1 10 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.930 -0.740 18214 3155 1 10 . 1 1 37 37 ASP H H 37 8.500 8.500 7.914 0.586 18214 3156 1 10 . 1 1 38 38 GLY N N 38 107.249 107.249 106.904 0.345 18214 3157 1 10 . 1 1 38 38 GLY C C 38 172.445 172.445 173.115 -0.670 18214 3158 1 10 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.899 1.221 18214 3159 1 10 . 1 1 38 38 GLY H H 38 8.084 8.084 8.459 -0.375 18214 3160 1 10 . 1 1 39 39 LYS N N 39 115.188 115.188 117.755 -2.567 18214 3161 1 10 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.115 0.274 18214 3162 1 10 . 1 1 39 39 LYS C C 39 175.182 175.182 174.700 0.482 18214 3163 1 10 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.460 -0.550 18214 3164 1 10 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.324 2.556 18214 3165 1 10 . 1 1 39 39 LYS H H 39 7.244 7.244 7.273 -0.029 18214 3166 1 10 . 1 1 40 40 VAL N N 40 120.767 120.767 116.499 4.268 18214 3167 1 10 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.645 -0.283 18214 3168 1 10 . 1 1 40 40 VAL C C 40 171.344 171.344 173.837 -2.493 18214 3169 1 10 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.470 1.870 18214 3170 1 10 . 1 1 40 40 VAL CB C 40 35.130 35.130 36.011 -0.881 18214 3171 1 10 . 1 1 40 40 VAL H H 40 8.914 8.914 8.594 0.320 18214 3172 1 10 . 1 1 41 41 ILE N N 41 127.866 127.866 120.996 6.870 18214 3173 1 10 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.393 0.336 18214 3174 1 10 . 1 1 41 41 ILE C C 41 175.237 175.237 175.977 -0.740 18214 3175 1 10 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.703 -0.793 18214 3176 1 10 . 1 1 41 41 ILE CB C 41 39.200 39.200 37.365 1.835 18214 3177 1 10 . 1 1 41 41 ILE H H 41 8.114 8.114 7.892 0.222 18214 3178 1 10 . 1 1 42 42 ILE N N 42 126.986 126.986 128.967 -1.981 18214 3179 1 10 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.089 0.711 18214 3180 1 10 . 1 1 42 42 ILE C C 42 175.187 175.187 175.025 0.162 18214 3181 1 10 . 1 1 42 42 ILE CA C 42 58.830 58.830 62.515 -3.685 18214 3182 1 10 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.950 1.860 18214 3183 1 10 . 1 1 42 42 ILE H H 42 9.249 9.249 8.646 0.603 18214 3184 1 10 . 1 1 43 43 ASP N N 43 127.951 127.951 127.977 -0.026 18214 3185 1 10 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.942 0.029 18214 3186 1 10 . 1 1 43 43 ASP C C 43 175.505 175.505 174.229 1.276 18214 3187 1 10 . 1 1 43 43 ASP CA C 43 53.970 53.970 52.921 1.049 18214 3188 1 10 . 1 1 43 43 ASP CB C 43 42.210 42.210 43.406 -1.196 18214 3189 1 10 . 1 1 43 43 ASP H H 43 8.800 8.800 8.460 0.340 18214 3190 1 10 . 1 1 44 44 HIS N N 44 126.451 126.451 125.901 0.550 18214 3191 1 10 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.905 0.291 18214 3192 1 10 . 1 1 44 44 HIS C C 44 174.492 174.492 174.223 0.269 18214 3193 1 10 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.772 -2.112 18214 3194 1 10 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.982 0.918 18214 3195 1 10 . 1 1 44 44 HIS H H 44 9.194 9.194 8.748 0.446 18214 3196 1 10 . 1 1 45 45 ASN N N 45 126.311 126.311 126.994 -0.683 18214 3197 1 10 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.257 -0.117 18214 3198 1 10 . 1 1 45 45 ASN C C 45 174.892 174.892 175.444 -0.552 18214 3199 1 10 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.294 0.366 18214 3200 1 10 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.728 -0.538 18214 3201 1 10 . 1 1 45 45 ASN H H 45 9.057 9.057 9.044 0.013 18214 3202 1 10 . 1 1 46 46 GLY N N 46 105.469 105.469 103.761 1.708 18214 3203 1 10 . 1 1 46 46 GLY C C 46 173.945 173.945 174.261 -0.316 18214 3204 1 10 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.255 0.185 18214 3205 1 10 . 1 1 46 46 GLY H H 46 8.686 8.686 8.741 -0.055 18214 3206 1 10 . 1 1 47 47 GLN N N 47 120.007 120.007 121.224 -1.217 18214 3207 1 10 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.537 -0.068 18214 3208 1 10 . 1 1 47 47 GLN C C 47 174.656 174.656 174.063 0.593 18214 3209 1 10 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.888 -0.738 18214 3210 1 10 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.724 0.346 18214 3211 1 10 . 1 1 47 47 GLN H H 47 7.841 7.841 7.686 0.155 18214 3212 1 10 . 1 1 48 48 GLU N N 48 123.081 123.081 120.471 2.610 18214 3213 1 10 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.031 -0.292 18214 3214 1 10 . 1 1 48 48 GLU C C 48 175.877 175.877 175.087 0.790 18214 3215 1 10 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.149 2.021 18214 3216 1 10 . 1 1 48 48 GLU CB C 48 30.730 30.730 33.003 -2.273 18214 3217 1 10 . 1 1 48 48 GLU H H 48 8.505 8.505 8.475 0.030 18214 3218 1 10 . 1 1 49 49 TYR N N 49 124.226 124.226 116.787 7.439 18214 3219 1 10 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.824 -0.064 18214 3220 1 10 . 1 1 49 49 TYR C C 49 174.098 174.098 173.771 0.327 18214 3221 1 10 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.809 1.051 18214 3222 1 10 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.748 0.772 18214 3223 1 10 . 1 1 49 49 TYR H H 49 9.086 9.086 8.331 0.755 18214 3224 1 10 . 1 1 50 50 LEU N N 50 123.506 123.506 124.957 -1.451 18214 3225 1 10 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.778 0.063 18214 3226 1 10 . 1 1 50 50 LEU C C 50 174.459 174.459 175.269 -0.810 18214 3227 1 10 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.637 -0.797 18214 3228 1 10 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.155 1.775 18214 3229 1 10 . 1 1 50 50 LEU H H 50 9.147 9.147 8.650 0.497 18214 3230 1 10 . 1 1 51 51 LEU N N 51 129.785 129.785 129.573 0.212 18214 3231 1 10 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.253 -0.020 18214 3232 1 10 . 1 1 51 51 LEU C C 51 174.246 174.246 174.386 -0.140 18214 3233 1 10 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.962 -0.022 18214 3234 1 10 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.393 -1.503 18214 3235 1 10 . 1 1 51 51 LEU H H 51 8.803 8.803 8.920 -0.117 18214 3236 1 10 . 1 1 52 52 ARG N N 52 121.867 121.867 122.545 -0.678 18214 3237 1 10 . 1 1 52 52 ARG HA H 52 5.292 5.292 4.890 0.402 18214 3238 1 10 . 1 1 52 52 ARG C C 52 173.561 173.561 175.014 -1.453 18214 3239 1 10 . 1 1 52 52 ARG CA C 52 53.220 53.220 54.111 -0.891 18214 3240 1 10 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.674 0.886 18214 3241 1 10 . 1 1 52 52 ARG H H 52 8.740 8.740 8.717 0.023 18214 3242 1 10 . 1 1 53 53 LYS N N 53 118.467 118.467 125.609 -7.142 18214 3243 1 10 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.746 0.414 18214 3244 1 10 . 1 1 53 53 LYS C C 53 176.879 176.879 176.587 0.292 18214 3245 1 10 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.224 -2.564 18214 3246 1 10 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.316 1.484 18214 3247 1 10 . 1 1 53 53 LYS H H 53 7.912 7.912 8.263 -0.351 18214 3248 1 10 . 1 1 54 54 THR N N 54 114.428 114.428 116.830 -2.402 18214 3249 1 10 . 1 1 54 54 THR HA H 54 4.703 4.703 4.276 0.427 18214 3250 1 10 . 1 1 54 54 THR CA C 54 59.430 59.430 61.996 -2.566 18214 3251 1 10 . 1 1 54 54 THR CB C 54 71.730 71.730 70.179 1.551 18214 3252 1 10 . 1 1 54 54 THR H H 54 8.753 8.753 8.241 0.512 18214 3253 1 10 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.207 0.148 18214 3254 1 10 . 1 1 56 56 ALA C C 56 177.569 177.569 177.496 0.073 18214 3255 1 10 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.500 -0.470 18214 3256 1 10 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.960 -0.060 18214 3257 1 10 . 1 1 57 57 GLY N N 57 106.509 106.509 104.259 2.250 18214 3258 1 10 . 1 1 57 57 GLY C C 57 174.678 174.678 173.556 1.122 18214 3259 1 10 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.680 0.920 18214 3260 1 10 . 1 1 57 57 GLY H H 57 7.961 7.961 7.743 0.218 18214 3261 1 10 . 1 1 58 58 LYS N N 58 118.787 118.787 118.483 0.304 18214 3262 1 10 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.657 -0.029 18214 3263 1 10 . 1 1 58 58 LYS C C 58 174.755 174.755 174.856 -0.101 18214 3264 1 10 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.303 0.356 18214 3265 1 10 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.639 -2.689 18214 3266 1 10 . 1 1 58 58 LYS H H 58 7.064 7.064 7.890 -0.826 18214 3267 1 10 . 1 1 59 59 LEU N N 59 117.082 117.082 119.436 -2.354 18214 3268 1 10 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.226 -0.446 18214 3269 1 10 . 1 1 59 59 LEU C C 59 174.903 174.903 176.063 -1.160 18214 3270 1 10 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.404 -0.284 18214 3271 1 10 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.140 -0.050 18214 3272 1 10 . 1 1 59 59 LEU H H 59 6.661 6.661 8.287 -1.626 18214 3273 1 10 . 1 1 60 60 LEU N N 60 121.360 121.360 125.448 -4.088 18214 3274 1 10 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.666 -0.311 18214 3275 1 10 . 1 1 60 60 LEU C C 60 174.005 174.005 174.569 -0.564 18214 3276 1 10 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.080 -0.250 18214 3277 1 10 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.756 2.284 18214 3278 1 10 . 1 1 60 60 LEU H H 60 8.457 8.457 8.784 -0.327 18214 3279 1 10 . 1 1 61 61 LEU N N 61 127.886 127.886 129.269 -1.383 18214 3280 1 10 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.049 0.397 18214 3281 1 10 . 1 1 61 61 LEU C C 61 175.910 175.910 176.566 -0.656 18214 3282 1 10 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.064 -0.784 18214 3283 1 10 . 1 1 61 61 LEU CB C 61 45.970 45.970 42.354 3.616 18214 3284 1 10 . 1 1 61 61 LEU H H 61 8.556 8.556 8.624 -0.068 18214 3285 1 10 . 1 1 62 62 THR N N 62 120.607 120.607 119.284 1.323 18214 3286 1 10 . 1 1 62 62 THR HA H 62 4.749 4.749 4.666 0.083 18214 3287 1 10 . 1 1 62 62 THR C C 62 171.903 171.903 173.139 -1.236 18214 3288 1 10 . 1 1 62 62 THR CA C 62 60.240 60.240 60.408 -0.168 18214 3289 1 10 . 1 1 62 62 THR CB C 62 71.970 71.970 71.630 0.340 18214 3290 1 10 . 1 1 62 62 THR H H 62 9.281 9.281 8.903 0.378 18214 3291 1 11 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.475 -0.189 18214 3292 1 11 . 1 1 3 3 ARG C C 3 176.261 176.261 175.828 0.433 18214 3293 1 11 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.874 0.356 18214 3294 1 11 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.462 0.298 18214 3295 1 11 . 1 1 4 4 MET N N 4 121.127 121.127 117.207 3.920 18214 3296 1 11 . 1 1 4 4 MET HA H 4 4.392 4.392 4.129 0.263 18214 3297 1 11 . 1 1 4 4 MET C C 4 175.779 175.779 175.162 0.617 18214 3298 1 11 . 1 1 4 4 MET CA C 4 55.440 55.440 55.927 -0.487 18214 3299 1 11 . 1 1 4 4 MET CB C 4 32.820 32.820 32.133 0.687 18214 3300 1 11 . 1 1 4 4 MET H H 4 8.318 8.318 7.676 0.642 18214 3301 1 11 . 1 1 5 5 ASP N N 5 121.087 121.087 121.047 0.040 18214 3302 1 11 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.952 -0.430 18214 3303 1 11 . 1 1 5 5 ASP C C 5 175.850 175.850 174.947 0.903 18214 3304 1 11 . 1 1 5 5 ASP CA C 5 54.220 54.220 53.639 0.581 18214 3305 1 11 . 1 1 5 5 ASP CB C 5 41.200 41.200 42.471 -1.271 18214 3306 1 11 . 1 1 5 5 ASP H H 5 8.247 8.247 8.275 -0.028 18214 3307 1 11 . 1 1 6 6 ASN N N 6 119.267 119.267 119.367 -0.100 18214 3308 1 11 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.800 -0.136 18214 3309 1 11 . 1 1 6 6 ASN C C 6 175.478 175.478 173.739 1.739 18214 3310 1 11 . 1 1 6 6 ASN CA C 6 53.370 53.370 52.701 0.669 18214 3311 1 11 . 1 1 6 6 ASN CB C 6 38.520 38.520 40.472 -1.952 18214 3312 1 11 . 1 1 6 6 ASN H H 6 8.320 8.320 8.381 -0.061 18214 3313 1 11 . 1 1 7 7 THR N N 7 114.228 114.228 115.971 -1.743 18214 3314 1 11 . 1 1 7 7 THR HA H 7 4.179 4.179 4.441 -0.262 18214 3315 1 11 . 1 1 7 7 THR C C 7 174.476 174.476 174.212 0.264 18214 3316 1 11 . 1 1 7 7 THR CA C 7 62.340 62.340 62.359 -0.020 18214 3317 1 11 . 1 1 7 7 THR CB C 7 69.650 69.650 69.646 0.004 18214 3318 1 11 . 1 1 7 7 THR H H 7 8.111 8.111 8.263 -0.152 18214 3319 1 11 . 1 1 8 8 GLU N N 8 122.962 122.962 123.697 -0.735 18214 3320 1 11 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.492 -0.269 18214 3321 1 11 . 1 1 8 8 GLU C C 8 176.020 176.020 175.499 0.521 18214 3322 1 11 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.699 0.531 18214 3323 1 11 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.714 -0.454 18214 3324 1 11 . 1 1 8 8 GLU H H 8 8.256 8.256 8.532 -0.276 18214 3325 1 11 . 1 1 9 9 LEU N N 9 124.766 124.766 122.675 2.091 18214 3326 1 11 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.497 -0.014 18214 3327 1 11 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.579 -0.409 18214 3328 1 11 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.300 0.290 18214 3329 1 11 . 1 1 9 9 LEU H H 9 8.130 8.130 8.196 -0.066 18214 3330 1 11 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.467 -0.175 18214 3331 1 11 . 1 1 10 10 PRO C C 10 176.337 176.337 175.916 0.421 18214 3332 1 11 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.363 0.487 18214 3333 1 11 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.440 -0.520 18214 3334 1 11 . 1 1 11 11 HIS N N 11 120.147 120.147 117.677 2.470 18214 3335 1 11 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.579 0.246 18214 3336 1 11 . 1 1 11 11 HIS CA C 11 53.430 53.430 55.398 -1.968 18214 3337 1 11 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.306 0.064 18214 3338 1 11 . 1 1 11 11 HIS H H 11 8.329 8.329 8.330 -0.001 18214 3339 1 11 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.475 -0.148 18214 3340 1 11 . 1 1 12 12 PRO C C 12 176.731 176.731 175.826 0.905 18214 3341 1 11 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.162 0.028 18214 3342 1 11 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.729 -0.619 18214 3343 1 11 . 1 1 13 13 LYS N N 13 121.927 121.927 122.878 -0.951 18214 3344 1 11 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.416 -0.215 18214 3345 1 11 . 1 1 13 13 LYS C C 13 176.622 176.622 176.729 -0.107 18214 3346 1 11 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.986 0.614 18214 3347 1 11 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.000 0.020 18214 3348 1 11 . 1 1 13 13 LYS H H 13 8.472 8.472 8.363 0.109 18214 3349 1 11 . 1 1 14 14 GLU N N 14 122.532 122.532 123.893 -1.361 18214 3350 1 11 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.343 -0.138 18214 3351 1 11 . 1 1 14 14 GLU C C 14 176.326 176.326 176.337 -0.011 18214 3352 1 11 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.451 0.119 18214 3353 1 11 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.218 -0.118 18214 3354 1 11 . 1 1 14 14 GLU H H 14 8.442 8.442 8.518 -0.076 18214 3355 1 11 . 1 1 15 15 ILE N N 15 121.207 121.207 121.394 -0.187 18214 3356 1 11 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.104 -0.037 18214 3357 1 11 . 1 1 15 15 ILE C C 15 175.680 175.680 176.798 -1.118 18214 3358 1 11 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.606 -0.646 18214 3359 1 11 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.133 0.717 18214 3360 1 11 . 1 1 15 15 ILE H H 15 8.068 8.068 8.543 -0.475 18214 3361 1 11 . 1 1 16 16 ASP N N 16 124.246 124.246 121.618 2.628 18214 3362 1 11 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.478 0.046 18214 3363 1 11 . 1 1 16 16 ASP C C 16 175.965 175.965 175.977 -0.012 18214 3364 1 11 . 1 1 16 16 ASP CA C 16 54.550 54.550 55.056 -0.506 18214 3365 1 11 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.303 -0.333 18214 3366 1 11 . 1 1 16 16 ASP H H 16 8.284 8.284 7.913 0.371 18214 3367 1 11 . 1 1 17 17 ASN N N 17 119.667 119.667 120.168 -0.501 18214 3368 1 11 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.821 -0.244 18214 3369 1 11 . 1 1 17 17 ASN C C 17 175.417 175.417 174.160 1.257 18214 3370 1 11 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.315 0.375 18214 3371 1 11 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.367 -0.567 18214 3372 1 11 . 1 1 17 17 ASN H H 17 8.317 8.317 8.532 -0.215 18214 3373 1 11 . 1 1 18 18 GLU N N 18 120.842 120.842 119.139 1.703 18214 3374 1 11 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.597 -0.400 18214 3375 1 11 . 1 1 18 18 GLU C C 18 176.704 176.704 176.714 -0.010 18214 3376 1 11 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.921 -0.151 18214 3377 1 11 . 1 1 18 18 GLU CB C 18 30.100 30.100 31.652 -1.552 18214 3378 1 11 . 1 1 18 18 GLU H H 18 8.407 8.407 8.482 -0.075 18214 3379 1 11 . 1 1 19 19 THR N N 19 115.248 115.248 115.886 -0.638 18214 3380 1 11 . 1 1 19 19 THR HA H 19 4.177 4.177 4.292 -0.115 18214 3381 1 11 . 1 1 19 19 THR C C 19 174.186 174.186 175.238 -1.052 18214 3382 1 11 . 1 1 19 19 THR CA C 19 62.250 62.250 62.153 0.097 18214 3383 1 11 . 1 1 19 19 THR CB C 19 69.650 69.650 67.928 1.722 18214 3384 1 11 . 1 1 19 19 THR H H 19 8.074 8.074 7.902 0.172 18214 3385 1 11 . 1 1 20 20 LEU N N 20 124.826 124.826 123.334 1.492 18214 3386 1 11 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.413 -0.149 18214 3387 1 11 . 1 1 20 20 LEU C C 20 176.698 176.698 177.056 -0.358 18214 3388 1 11 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.306 0.274 18214 3389 1 11 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.627 -0.517 18214 3390 1 11 . 1 1 20 20 LEU H H 20 8.074 8.074 7.651 0.423 18214 3391 1 11 . 1 1 21 21 LEU N N 21 124.466 124.466 122.143 2.323 18214 3392 1 11 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.367 0.145 18214 3393 1 11 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.897 -1.317 18214 3394 1 11 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.053 0.807 18214 3395 1 11 . 1 1 21 21 LEU H H 21 8.088 8.088 8.232 -0.144 18214 3396 1 11 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.423 -0.131 18214 3397 1 11 . 1 1 22 22 PRO C C 22 176.540 176.540 177.076 -0.536 18214 3398 1 11 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.918 -0.008 18214 3399 1 11 . 1 1 22 22 PRO CB C 22 32.130 32.130 31.991 0.139 18214 3400 1 11 . 1 1 23 23 ALA N N 23 124.451 124.451 122.857 1.594 18214 3401 1 11 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.017 0.141 18214 3402 1 11 . 1 1 23 23 ALA C C 23 177.005 177.005 175.972 1.033 18214 3403 1 11 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.769 -1.539 18214 3404 1 11 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.217 0.093 18214 3405 1 11 . 1 1 23 23 ALA H H 23 8.314 8.314 8.565 -0.251 18214 3406 1 11 . 1 1 24 24 ALA N N 24 121.792 121.792 118.700 3.092 18214 3407 1 11 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.505 -0.249 18214 3408 1 11 . 1 1 24 24 ALA C C 24 177.065 177.065 175.607 1.458 18214 3409 1 11 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.610 0.240 18214 3410 1 11 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.908 -0.608 18214 3411 1 11 . 1 1 24 24 ALA H H 24 7.994 7.994 7.619 0.375 18214 3412 1 11 . 1 1 25 25 GLU N N 25 120.287 120.287 116.900 3.387 18214 3413 1 11 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.410 -0.284 18214 3414 1 11 . 1 1 25 25 GLU C C 25 176.233 176.233 175.686 0.547 18214 3415 1 11 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.674 1.136 18214 3416 1 11 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.065 1.175 18214 3417 1 11 . 1 1 25 25 GLU H H 25 8.404 8.404 8.411 -0.006 18214 3418 1 11 . 1 1 26 26 ARG N N 26 123.246 123.246 122.036 1.210 18214 3419 1 11 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.357 -0.022 18214 3420 1 11 . 1 1 26 26 ARG C C 26 174.514 174.514 175.678 -1.164 18214 3421 1 11 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.734 0.446 18214 3422 1 11 . 1 1 26 26 ARG CB C 26 31.340 31.340 30.087 1.253 18214 3423 1 11 . 1 1 26 26 ARG H H 26 8.598 8.598 8.239 0.359 18214 3424 1 11 . 1 1 27 27 ARG N N 27 123.563 123.563 127.422 -3.859 18214 3425 1 11 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.567 0.877 18214 3426 1 11 . 1 1 27 27 ARG C C 27 175.308 175.308 176.169 -0.861 18214 3427 1 11 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.301 -2.131 18214 3428 1 11 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.261 5.239 18214 3429 1 11 . 1 1 27 27 ARG H H 27 8.230 8.230 8.570 -0.340 18214 3430 1 11 . 1 1 28 28 VAL N N 28 120.927 120.927 117.722 3.205 18214 3431 1 11 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.624 -0.189 18214 3432 1 11 . 1 1 28 28 VAL C C 28 173.178 173.178 174.672 -1.494 18214 3433 1 11 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.140 0.650 18214 3434 1 11 . 1 1 28 28 VAL CB C 28 35.510 35.510 36.555 -1.045 18214 3435 1 11 . 1 1 28 28 VAL H H 28 9.062 9.062 8.463 0.599 18214 3436 1 11 . 1 1 29 29 ASN N N 29 124.526 124.526 120.063 4.463 18214 3437 1 11 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.952 0.201 18214 3438 1 11 . 1 1 29 29 ASN C C 29 177.848 177.848 177.209 0.639 18214 3439 1 11 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.332 -1.172 18214 3440 1 11 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.930 1.160 18214 3441 1 11 . 1 1 29 29 ASN H H 29 8.779 8.779 8.618 0.161 18214 3442 1 11 . 1 1 30 30 SER N N 30 123.081 123.081 115.956 7.125 18214 3443 1 11 . 1 1 30 30 SER HA H 30 3.730 3.730 4.159 -0.429 18214 3444 1 11 . 1 1 30 30 SER C C 30 175.833 175.833 176.348 -0.515 18214 3445 1 11 . 1 1 30 30 SER CA C 30 62.010 62.010 60.993 1.017 18214 3446 1 11 . 1 1 30 30 SER CB C 30 60.920 60.920 63.008 -2.087 18214 3447 1 11 . 1 1 30 30 SER H H 30 9.338 9.338 8.500 0.838 18214 3448 1 11 . 1 1 31 31 GLN N N 31 122.307 122.307 120.767 1.540 18214 3449 1 11 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.178 -0.145 18214 3450 1 11 . 1 1 31 31 GLN C C 31 177.569 177.569 176.589 0.980 18214 3451 1 11 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.162 0.588 18214 3452 1 11 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.144 -0.334 18214 3453 1 11 . 1 1 31 31 GLN H H 31 8.938 8.938 8.485 0.454 18214 3454 1 11 . 1 1 32 32 ALA N N 32 119.987 119.987 121.935 -1.948 18214 3455 1 11 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.594 -0.366 18214 3456 1 11 . 1 1 32 32 ALA C C 32 177.908 177.908 178.124 -0.216 18214 3457 1 11 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.937 2.073 18214 3458 1 11 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.685 0.205 18214 3459 1 11 . 1 1 32 32 ALA H H 32 7.477 7.477 7.737 -0.260 18214 3460 1 11 . 1 1 33 33 LEU N N 33 117.867 117.867 116.728 1.139 18214 3461 1 11 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.033 0.089 18214 3462 1 11 . 1 1 33 33 LEU C C 33 176.348 176.348 176.345 0.003 18214 3463 1 11 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.093 -0.812 18214 3464 1 11 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.148 2.522 18214 3465 1 11 . 1 1 33 33 LEU H H 33 7.269 7.269 7.405 -0.136 18214 3466 1 11 . 1 1 34 34 LEU N N 34 114.642 114.642 114.993 -0.351 18214 3467 1 11 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.541 -0.841 18214 3468 1 11 . 1 1 34 34 LEU C C 34 177.870 177.870 178.040 -0.170 18214 3469 1 11 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.270 1.130 18214 3470 1 11 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.572 -1.222 18214 3471 1 11 . 1 1 34 34 LEU H H 34 7.915 7.915 7.574 0.341 18214 3472 1 11 . 1 1 35 35 GLY N N 35 104.529 104.529 107.159 -2.630 18214 3473 1 11 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.136 -0.526 18214 3474 1 11 . 1 1 35 35 GLY H H 35 7.650 7.650 8.082 -0.432 18214 3475 1 11 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.382 -0.059 18214 3476 1 11 . 1 1 36 36 PRO C C 36 177.043 177.043 176.575 0.468 18214 3477 1 11 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.291 0.389 18214 3478 1 11 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.842 -0.282 18214 3479 1 11 . 1 1 37 37 ASP N N 37 115.648 115.648 120.000 -4.352 18214 3480 1 11 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.476 0.020 18214 3481 1 11 . 1 1 37 37 ASP C C 37 177.279 177.279 177.617 -0.338 18214 3482 1 11 . 1 1 37 37 ASP CA C 37 53.210 53.210 55.446 -2.236 18214 3483 1 11 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.882 -0.692 18214 3484 1 11 . 1 1 37 37 ASP H H 37 8.500 8.500 7.918 0.582 18214 3485 1 11 . 1 1 38 38 GLY N N 38 107.249 107.249 106.097 1.152 18214 3486 1 11 . 1 1 38 38 GLY C C 38 172.445 172.445 173.190 -0.745 18214 3487 1 11 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.578 1.542 18214 3488 1 11 . 1 1 38 38 GLY H H 38 8.084 8.084 8.045 0.039 18214 3489 1 11 . 1 1 39 39 LYS N N 39 115.188 115.188 117.328 -2.140 18214 3490 1 11 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.394 -0.005 18214 3491 1 11 . 1 1 39 39 LYS C C 39 175.182 175.182 174.710 0.472 18214 3492 1 11 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.210 -0.300 18214 3493 1 11 . 1 1 39 39 LYS CB C 39 36.880 36.880 35.251 1.629 18214 3494 1 11 . 1 1 39 39 LYS H H 39 7.244 7.244 7.314 -0.070 18214 3495 1 11 . 1 1 40 40 VAL N N 40 120.767 120.767 117.465 3.302 18214 3496 1 11 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.646 -0.284 18214 3497 1 11 . 1 1 40 40 VAL C C 40 171.344 171.344 173.332 -1.988 18214 3498 1 11 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.960 1.380 18214 3499 1 11 . 1 1 40 40 VAL CB C 40 35.130 35.130 36.100 -0.970 18214 3500 1 11 . 1 1 40 40 VAL H H 40 8.914 8.914 8.632 0.282 18214 3501 1 11 . 1 1 41 41 ILE N N 41 127.866 127.866 121.209 6.657 18214 3502 1 11 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.379 0.350 18214 3503 1 11 . 1 1 41 41 ILE C C 41 175.237 175.237 175.668 -0.431 18214 3504 1 11 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.815 -0.905 18214 3505 1 11 . 1 1 41 41 ILE CB C 41 39.200 39.200 37.586 1.614 18214 3506 1 11 . 1 1 41 41 ILE H H 41 8.114 8.114 8.008 0.106 18214 3507 1 11 . 1 1 42 42 ILE N N 42 126.986 126.986 130.004 -3.018 18214 3508 1 11 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.360 0.440 18214 3509 1 11 . 1 1 42 42 ILE C C 42 175.187 175.187 174.863 0.324 18214 3510 1 11 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.409 -2.579 18214 3511 1 11 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.410 1.400 18214 3512 1 11 . 1 1 42 42 ILE H H 42 9.249 9.249 8.894 0.355 18214 3513 1 11 . 1 1 43 43 ASP N N 43 127.951 127.951 128.071 -0.120 18214 3514 1 11 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.139 -0.168 18214 3515 1 11 . 1 1 43 43 ASP C C 43 175.505 175.505 174.456 1.049 18214 3516 1 11 . 1 1 43 43 ASP CA C 43 53.970 53.970 52.734 1.236 18214 3517 1 11 . 1 1 43 43 ASP CB C 43 42.210 42.210 43.592 -1.382 18214 3518 1 11 . 1 1 43 43 ASP H H 43 8.800 8.800 8.511 0.289 18214 3519 1 11 . 1 1 44 44 HIS N N 44 126.451 126.451 126.045 0.406 18214 3520 1 11 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.847 0.349 18214 3521 1 11 . 1 1 44 44 HIS C C 44 174.492 174.492 174.216 0.276 18214 3522 1 11 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.435 -1.775 18214 3523 1 11 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.790 1.110 18214 3524 1 11 . 1 1 44 44 HIS H H 44 9.194 9.194 8.431 0.763 18214 3525 1 11 . 1 1 45 45 ASN N N 45 126.311 126.311 126.197 0.114 18214 3526 1 11 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.287 -0.147 18214 3527 1 11 . 1 1 45 45 ASN C C 45 174.892 174.892 175.354 -0.462 18214 3528 1 11 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.264 0.396 18214 3529 1 11 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.776 -0.586 18214 3530 1 11 . 1 1 45 45 ASN H H 45 9.057 9.057 8.977 0.080 18214 3531 1 11 . 1 1 46 46 GLY N N 46 105.469 105.469 103.782 1.687 18214 3532 1 11 . 1 1 46 46 GLY C C 46 173.945 173.945 173.690 0.255 18214 3533 1 11 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.042 0.397 18214 3534 1 11 . 1 1 46 46 GLY H H 46 8.686 8.686 8.633 0.053 18214 3535 1 11 . 1 1 47 47 GLN N N 47 120.007 120.007 119.976 0.031 18214 3536 1 11 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.436 0.033 18214 3537 1 11 . 1 1 47 47 GLN C C 47 174.656 174.656 174.062 0.594 18214 3538 1 11 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.475 -0.325 18214 3539 1 11 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.849 0.221 18214 3540 1 11 . 1 1 47 47 GLN H H 47 7.841 7.841 7.624 0.217 18214 3541 1 11 . 1 1 48 48 GLU N N 48 123.081 123.081 121.941 1.140 18214 3542 1 11 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.323 -0.584 18214 3543 1 11 . 1 1 48 48 GLU C C 48 175.877 175.877 175.227 0.650 18214 3544 1 11 . 1 1 48 48 GLU CA C 48 56.170 56.170 53.851 2.319 18214 3545 1 11 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.129 -1.399 18214 3546 1 11 . 1 1 48 48 GLU H H 48 8.505 8.505 8.410 0.095 18214 3547 1 11 . 1 1 49 49 TYR N N 49 124.226 124.226 119.505 4.721 18214 3548 1 11 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.778 -0.018 18214 3549 1 11 . 1 1 49 49 TYR C C 49 174.098 174.098 174.413 -0.315 18214 3550 1 11 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.988 0.872 18214 3551 1 11 . 1 1 49 49 TYR CB C 49 41.520 41.520 41.024 0.496 18214 3552 1 11 . 1 1 49 49 TYR H H 49 9.086 9.086 8.444 0.642 18214 3553 1 11 . 1 1 50 50 LEU N N 50 123.506 123.506 126.346 -2.840 18214 3554 1 11 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.988 -0.147 18214 3555 1 11 . 1 1 50 50 LEU C C 50 174.459 174.459 175.163 -0.704 18214 3556 1 11 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.394 -0.554 18214 3557 1 11 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.177 1.753 18214 3558 1 11 . 1 1 50 50 LEU H H 50 9.147 9.147 8.697 0.450 18214 3559 1 11 . 1 1 51 51 LEU N N 51 129.785 129.785 129.915 -0.130 18214 3560 1 11 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.203 0.030 18214 3561 1 11 . 1 1 51 51 LEU C C 51 174.246 174.246 174.326 -0.080 18214 3562 1 11 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.079 -0.139 18214 3563 1 11 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.851 -0.961 18214 3564 1 11 . 1 1 51 51 LEU H H 51 8.803 8.803 8.629 0.174 18214 3565 1 11 . 1 1 52 52 ARG N N 52 121.867 121.867 123.566 -1.699 18214 3566 1 11 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.150 0.142 18214 3567 1 11 . 1 1 52 52 ARG C C 52 173.561 173.561 175.023 -1.462 18214 3568 1 11 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.797 -0.577 18214 3569 1 11 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.550 1.010 18214 3570 1 11 . 1 1 52 52 ARG H H 52 8.740 8.740 8.612 0.128 18214 3571 1 11 . 1 1 53 53 LYS N N 53 118.467 118.467 126.493 -8.026 18214 3572 1 11 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.777 0.383 18214 3573 1 11 . 1 1 53 53 LYS C C 53 176.879 176.879 177.014 -0.135 18214 3574 1 11 . 1 1 53 53 LYS CA C 53 53.660 53.660 55.936 -2.276 18214 3575 1 11 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.389 1.411 18214 3576 1 11 . 1 1 53 53 LYS H H 53 7.912 7.912 8.347 -0.435 18214 3577 1 11 . 1 1 54 54 THR N N 54 114.428 114.428 116.711 -2.283 18214 3578 1 11 . 1 1 54 54 THR HA H 54 4.703 4.703 4.449 0.254 18214 3579 1 11 . 1 1 54 54 THR CA C 54 59.430 59.430 60.662 -1.232 18214 3580 1 11 . 1 1 54 54 THR CB C 54 71.730 71.730 70.659 1.071 18214 3581 1 11 . 1 1 54 54 THR H H 54 8.753 8.753 8.304 0.449 18214 3582 1 11 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.319 0.036 18214 3583 1 11 . 1 1 56 56 ALA C C 56 177.569 177.569 177.592 -0.023 18214 3584 1 11 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.862 0.168 18214 3585 1 11 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.578 0.322 18214 3586 1 11 . 1 1 57 57 GLY N N 57 106.509 106.509 105.929 0.580 18214 3587 1 11 . 1 1 57 57 GLY C C 57 174.678 174.678 173.842 0.836 18214 3588 1 11 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.955 0.645 18214 3589 1 11 . 1 1 57 57 GLY H H 57 7.961 7.961 7.862 0.099 18214 3590 1 11 . 1 1 58 58 LYS N N 58 118.787 118.787 118.830 -0.043 18214 3591 1 11 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.688 -0.060 18214 3592 1 11 . 1 1 58 58 LYS C C 58 174.755 174.755 175.314 -0.559 18214 3593 1 11 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.151 0.509 18214 3594 1 11 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.067 -2.117 18214 3595 1 11 . 1 1 58 58 LYS H H 58 7.064 7.064 7.820 -0.756 18214 3596 1 11 . 1 1 59 59 LEU N N 59 117.082 117.082 119.259 -2.177 18214 3597 1 11 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.052 -0.272 18214 3598 1 11 . 1 1 59 59 LEU C C 59 174.903 174.903 176.294 -1.391 18214 3599 1 11 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.416 -0.296 18214 3600 1 11 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.181 -0.091 18214 3601 1 11 . 1 1 59 59 LEU H H 59 6.661 6.661 8.260 -1.599 18214 3602 1 11 . 1 1 60 60 LEU N N 60 121.360 121.360 124.022 -2.662 18214 3603 1 11 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.589 -0.234 18214 3604 1 11 . 1 1 60 60 LEU C C 60 174.005 174.005 174.696 -0.691 18214 3605 1 11 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.766 -0.936 18214 3606 1 11 . 1 1 60 60 LEU CB C 60 47.040 47.040 45.272 1.768 18214 3607 1 11 . 1 1 60 60 LEU H H 60 8.457 8.457 8.523 -0.066 18214 3608 1 11 . 1 1 61 61 LEU N N 61 127.886 127.886 129.064 -1.178 18214 3609 1 11 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.676 0.770 18214 3610 1 11 . 1 1 61 61 LEU C C 61 175.910 175.910 176.518 -0.608 18214 3611 1 11 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.580 -1.300 18214 3612 1 11 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.135 4.835 18214 3613 1 11 . 1 1 61 61 LEU H H 61 8.556 8.556 8.470 0.086 18214 3614 1 11 . 1 1 62 62 THR N N 62 120.607 120.607 120.177 0.430 18214 3615 1 11 . 1 1 62 62 THR HA H 62 4.749 4.749 4.732 0.017 18214 3616 1 11 . 1 1 62 62 THR C C 62 171.903 171.903 173.851 -1.948 18214 3617 1 11 . 1 1 62 62 THR CA C 62 60.240 60.240 60.536 -0.296 18214 3618 1 11 . 1 1 62 62 THR CB C 62 71.970 71.970 71.570 0.400 18214 3619 1 11 . 1 1 62 62 THR H H 62 9.281 9.281 9.005 0.276 18214 3620 1 12 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.514 -0.228 18214 3621 1 12 . 1 1 3 3 ARG C C 3 176.261 176.261 176.271 -0.010 18214 3622 1 12 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.295 0.935 18214 3623 1 12 . 1 1 3 3 ARG CB C 3 30.760 30.760 31.220 -0.460 18214 3624 1 12 . 1 1 4 4 MET N N 4 121.127 121.127 123.100 -1.973 18214 3625 1 12 . 1 1 4 4 MET HA H 4 4.392 4.392 4.527 -0.135 18214 3626 1 12 . 1 1 4 4 MET C C 4 175.779 175.779 176.448 -0.669 18214 3627 1 12 . 1 1 4 4 MET CA C 4 55.440 55.440 55.139 0.301 18214 3628 1 12 . 1 1 4 4 MET CB C 4 32.820 32.820 33.019 -0.199 18214 3629 1 12 . 1 1 4 4 MET H H 4 8.318 8.318 8.372 -0.054 18214 3630 1 12 . 1 1 5 5 ASP N N 5 121.087 121.087 122.014 -0.927 18214 3631 1 12 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.519 0.003 18214 3632 1 12 . 1 1 5 5 ASP C C 5 175.850 175.850 176.010 -0.160 18214 3633 1 12 . 1 1 5 5 ASP CA C 5 54.220 54.220 53.812 0.408 18214 3634 1 12 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.712 -0.512 18214 3635 1 12 . 1 1 5 5 ASP H H 5 8.247 8.247 8.436 -0.189 18214 3636 1 12 . 1 1 6 6 ASN N N 6 119.267 119.267 118.305 0.962 18214 3637 1 12 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.633 0.031 18214 3638 1 12 . 1 1 6 6 ASN C C 6 175.478 175.478 175.843 -0.365 18214 3639 1 12 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.569 -0.199 18214 3640 1 12 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.106 -0.586 18214 3641 1 12 . 1 1 6 6 ASN H H 6 8.320 8.320 8.527 -0.207 18214 3642 1 12 . 1 1 7 7 THR N N 7 114.228 114.228 119.375 -5.147 18214 3643 1 12 . 1 1 7 7 THR HA H 7 4.179 4.179 4.135 0.044 18214 3644 1 12 . 1 1 7 7 THR C C 7 174.476 174.476 174.267 0.209 18214 3645 1 12 . 1 1 7 7 THR CA C 7 62.340 62.340 63.124 -0.784 18214 3646 1 12 . 1 1 7 7 THR CB C 7 69.650 69.650 66.996 2.655 18214 3647 1 12 . 1 1 7 7 THR H H 7 8.111 8.111 8.538 -0.427 18214 3648 1 12 . 1 1 8 8 GLU N N 8 122.962 122.962 120.032 2.930 18214 3649 1 12 . 1 1 8 8 GLU HA H 8 4.223 4.223 3.981 0.242 18214 3650 1 12 . 1 1 8 8 GLU C C 8 176.020 176.020 176.081 -0.061 18214 3651 1 12 . 1 1 8 8 GLU CA C 8 56.230 56.230 57.557 -1.327 18214 3652 1 12 . 1 1 8 8 GLU CB C 8 30.260 30.260 29.143 1.117 18214 3653 1 12 . 1 1 8 8 GLU H H 8 8.256 8.256 7.935 0.321 18214 3654 1 12 . 1 1 9 9 LEU N N 9 124.766 124.766 119.235 5.531 18214 3655 1 12 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.733 -0.250 18214 3656 1 12 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.306 -0.136 18214 3657 1 12 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.308 0.282 18214 3658 1 12 . 1 1 9 9 LEU H H 9 8.130 8.130 8.107 0.023 18214 3659 1 12 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.415 -0.123 18214 3660 1 12 . 1 1 10 10 PRO C C 10 176.337 176.337 176.551 -0.214 18214 3661 1 12 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.061 -0.211 18214 3662 1 12 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.303 -0.383 18214 3663 1 12 . 1 1 11 11 HIS N N 11 120.147 120.147 121.153 -1.006 18214 3664 1 12 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.769 0.056 18214 3665 1 12 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.029 -0.599 18214 3666 1 12 . 1 1 11 11 HIS CB C 11 29.370 29.370 28.854 0.516 18214 3667 1 12 . 1 1 11 11 HIS H H 11 8.329 8.329 8.311 0.018 18214 3668 1 12 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.366 -0.039 18214 3669 1 12 . 1 1 12 12 PRO C C 12 176.731 176.731 175.501 1.230 18214 3670 1 12 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.799 0.391 18214 3671 1 12 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.733 -0.623 18214 3672 1 12 . 1 1 13 13 LYS N N 13 121.927 121.927 121.591 0.336 18214 3673 1 12 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.461 -0.260 18214 3674 1 12 . 1 1 13 13 LYS C C 13 176.622 176.622 176.289 0.333 18214 3675 1 12 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.350 1.250 18214 3676 1 12 . 1 1 13 13 LYS CB C 13 33.020 33.020 34.155 -1.135 18214 3677 1 12 . 1 1 13 13 LYS H H 13 8.472 8.472 8.210 0.262 18214 3678 1 12 . 1 1 14 14 GLU N N 14 122.532 122.532 123.507 -0.975 18214 3679 1 12 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.235 -0.030 18214 3680 1 12 . 1 1 14 14 GLU C C 14 176.326 176.326 176.410 -0.084 18214 3681 1 12 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.622 -0.052 18214 3682 1 12 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.807 0.293 18214 3683 1 12 . 1 1 14 14 GLU H H 14 8.442 8.442 8.663 -0.221 18214 3684 1 12 . 1 1 15 15 ILE N N 15 121.207 121.207 128.238 -7.031 18214 3685 1 12 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.231 -0.164 18214 3686 1 12 . 1 1 15 15 ILE C C 15 175.680 175.680 176.254 -0.574 18214 3687 1 12 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.820 0.140 18214 3688 1 12 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.278 1.572 18214 3689 1 12 . 1 1 15 15 ILE H H 15 8.068 8.068 8.459 -0.391 18214 3690 1 12 . 1 1 16 16 ASP N N 16 124.246 124.246 129.465 -5.219 18214 3691 1 12 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.622 -0.098 18214 3692 1 12 . 1 1 16 16 ASP C C 16 175.965 175.965 175.447 0.518 18214 3693 1 12 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.617 0.933 18214 3694 1 12 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.610 -0.640 18214 3695 1 12 . 1 1 16 16 ASP H H 16 8.284 8.284 8.621 -0.337 18214 3696 1 12 . 1 1 17 17 ASN N N 17 119.667 119.667 118.067 1.600 18214 3697 1 12 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.696 -0.119 18214 3698 1 12 . 1 1 17 17 ASN C C 17 175.417 175.417 173.844 1.573 18214 3699 1 12 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.011 0.679 18214 3700 1 12 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.506 0.294 18214 3701 1 12 . 1 1 17 17 ASN H H 17 8.317 8.317 8.271 0.046 18214 3702 1 12 . 1 1 18 18 GLU N N 18 120.842 120.842 118.763 2.079 18214 3703 1 12 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.014 0.183 18214 3704 1 12 . 1 1 18 18 GLU C C 18 176.704 176.704 175.716 0.988 18214 3705 1 12 . 1 1 18 18 GLU CA C 18 56.770 56.770 57.469 -0.699 18214 3706 1 12 . 1 1 18 18 GLU CB C 18 30.100 30.100 27.407 2.693 18214 3707 1 12 . 1 1 18 18 GLU H H 18 8.407 8.407 8.223 0.184 18214 3708 1 12 . 1 1 19 19 THR N N 19 115.248 115.248 116.223 -0.975 18214 3709 1 12 . 1 1 19 19 THR HA H 19 4.177 4.177 4.186 -0.010 18214 3710 1 12 . 1 1 19 19 THR C C 19 174.186 174.186 175.331 -1.145 18214 3711 1 12 . 1 1 19 19 THR CA C 19 62.250 62.250 63.158 -0.908 18214 3712 1 12 . 1 1 19 19 THR CB C 19 69.650 69.650 69.492 0.158 18214 3713 1 12 . 1 1 19 19 THR H H 19 8.074 8.074 8.090 -0.016 18214 3714 1 12 . 1 1 20 20 LEU N N 20 124.826 124.826 127.150 -2.324 18214 3715 1 12 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.482 -0.218 18214 3716 1 12 . 1 1 20 20 LEU C C 20 176.698 176.698 176.478 0.220 18214 3717 1 12 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.682 -0.102 18214 3718 1 12 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.669 -0.559 18214 3719 1 12 . 1 1 20 20 LEU H H 20 8.074 8.074 8.395 -0.321 18214 3720 1 12 . 1 1 21 21 LEU N N 21 124.466 124.466 122.471 1.995 18214 3721 1 12 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.802 -0.290 18214 3722 1 12 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.935 -0.355 18214 3723 1 12 . 1 1 21 21 LEU CB C 21 41.860 41.860 42.060 -0.200 18214 3724 1 12 . 1 1 21 21 LEU H H 21 8.088 8.088 8.111 -0.023 18214 3725 1 12 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.560 -0.268 18214 3726 1 12 . 1 1 22 22 PRO C C 22 176.540 176.540 177.631 -1.091 18214 3727 1 12 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.483 0.427 18214 3728 1 12 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.531 -0.401 18214 3729 1 12 . 1 1 23 23 ALA N N 23 124.451 124.451 125.998 -1.547 18214 3730 1 12 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.178 -0.020 18214 3731 1 12 . 1 1 23 23 ALA C C 23 177.005 177.005 176.402 0.603 18214 3732 1 12 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.562 -1.332 18214 3733 1 12 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.303 0.007 18214 3734 1 12 . 1 1 23 23 ALA H H 23 8.314 8.314 8.586 -0.272 18214 3735 1 12 . 1 1 24 24 ALA N N 24 121.792 121.792 119.182 2.610 18214 3736 1 12 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.452 -0.196 18214 3737 1 12 . 1 1 24 24 ALA C C 24 177.065 177.065 175.817 1.248 18214 3738 1 12 . 1 1 24 24 ALA CA C 24 51.850 51.850 52.013 -0.163 18214 3739 1 12 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.253 0.046 18214 3740 1 12 . 1 1 24 24 ALA H H 24 7.994 7.994 7.730 0.264 18214 3741 1 12 . 1 1 25 25 GLU N N 25 120.287 120.287 124.602 -4.315 18214 3742 1 12 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.195 -0.069 18214 3743 1 12 . 1 1 25 25 GLU C C 25 176.233 176.233 175.468 0.765 18214 3744 1 12 . 1 1 25 25 GLU CA C 25 56.810 56.810 56.210 0.600 18214 3745 1 12 . 1 1 25 25 GLU CB C 25 30.240 30.240 28.779 1.461 18214 3746 1 12 . 1 1 25 25 GLU H H 25 8.404 8.404 8.761 -0.357 18214 3747 1 12 . 1 1 26 26 ARG N N 26 123.246 123.246 122.847 0.399 18214 3748 1 12 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.522 -0.187 18214 3749 1 12 . 1 1 26 26 ARG C C 26 174.514 174.514 174.730 -0.216 18214 3750 1 12 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.243 1.937 18214 3751 1 12 . 1 1 26 26 ARG CB C 26 31.340 31.340 30.872 0.468 18214 3752 1 12 . 1 1 26 26 ARG H H 26 8.598 8.598 7.750 0.848 18214 3753 1 12 . 1 1 27 27 ARG N N 27 123.563 123.563 126.429 -2.866 18214 3754 1 12 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.577 0.867 18214 3755 1 12 . 1 1 27 27 ARG C C 27 175.308 175.308 176.061 -0.753 18214 3756 1 12 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.477 -2.307 18214 3757 1 12 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.000 5.500 18214 3758 1 12 . 1 1 27 27 ARG H H 27 8.230 8.230 8.749 -0.520 18214 3759 1 12 . 1 1 28 28 VAL N N 28 120.927 120.927 118.957 1.970 18214 3760 1 12 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.631 -0.196 18214 3761 1 12 . 1 1 28 28 VAL C C 28 173.178 173.178 174.559 -1.381 18214 3762 1 12 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.119 0.671 18214 3763 1 12 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.189 0.321 18214 3764 1 12 . 1 1 28 28 VAL H H 28 9.062 9.062 8.316 0.746 18214 3765 1 12 . 1 1 29 29 ASN N N 29 124.526 124.526 119.521 5.005 18214 3766 1 12 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.848 0.305 18214 3767 1 12 . 1 1 29 29 ASN C C 29 177.848 177.848 176.937 0.911 18214 3768 1 12 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.555 -0.395 18214 3769 1 12 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.373 0.717 18214 3770 1 12 . 1 1 29 29 ASN H H 29 8.779 8.779 8.520 0.259 18214 3771 1 12 . 1 1 30 30 SER N N 30 123.081 123.081 117.352 5.729 18214 3772 1 12 . 1 1 30 30 SER HA H 30 3.730 3.730 4.127 -0.397 18214 3773 1 12 . 1 1 30 30 SER C C 30 175.833 175.833 176.396 -0.563 18214 3774 1 12 . 1 1 30 30 SER CA C 30 62.010 62.010 60.964 1.046 18214 3775 1 12 . 1 1 30 30 SER CB C 30 60.920 60.920 63.051 -2.131 18214 3776 1 12 . 1 1 30 30 SER H H 30 9.338 9.338 8.566 0.772 18214 3777 1 12 . 1 1 31 31 GLN N N 31 122.307 122.307 120.643 1.664 18214 3778 1 12 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.093 -0.060 18214 3779 1 12 . 1 1 31 31 GLN C C 31 177.569 177.569 176.914 0.655 18214 3780 1 12 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.042 0.708 18214 3781 1 12 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.181 -0.371 18214 3782 1 12 . 1 1 31 31 GLN H H 31 8.938 8.938 8.597 0.341 18214 3783 1 12 . 1 1 32 32 ALA N N 32 119.987 119.987 120.786 -0.799 18214 3784 1 12 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.510 -0.282 18214 3785 1 12 . 1 1 32 32 ALA C C 32 177.908 177.908 177.672 0.236 18214 3786 1 12 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.163 1.847 18214 3787 1 12 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.360 0.530 18214 3788 1 12 . 1 1 32 32 ALA H H 32 7.477 7.477 7.694 -0.217 18214 3789 1 12 . 1 1 33 33 LEU N N 33 117.867 117.867 116.002 1.865 18214 3790 1 12 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.002 0.120 18214 3791 1 12 . 1 1 33 33 LEU C C 33 176.348 176.348 176.990 -0.642 18214 3792 1 12 . 1 1 33 33 LEU CA C 33 56.280 56.280 56.934 -0.654 18214 3793 1 12 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.029 2.641 18214 3794 1 12 . 1 1 33 33 LEU H H 33 7.269 7.269 7.349 -0.080 18214 3795 1 12 . 1 1 34 34 LEU N N 34 114.642 114.642 113.940 0.702 18214 3796 1 12 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.494 -0.794 18214 3797 1 12 . 1 1 34 34 LEU C C 34 177.870 177.870 177.611 0.259 18214 3798 1 12 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.413 0.987 18214 3799 1 12 . 1 1 34 34 LEU CB C 34 42.350 42.350 42.637 -0.287 18214 3800 1 12 . 1 1 34 34 LEU H H 34 7.915 7.915 7.576 0.339 18214 3801 1 12 . 1 1 35 35 GLY N N 35 104.529 104.529 108.535 -4.006 18214 3802 1 12 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.407 -0.797 18214 3803 1 12 . 1 1 35 35 GLY H H 35 7.650 7.650 7.842 -0.192 18214 3804 1 12 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.548 -0.225 18214 3805 1 12 . 1 1 36 36 PRO C C 36 177.043 177.043 176.152 0.891 18214 3806 1 12 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.209 0.471 18214 3807 1 12 . 1 1 36 36 PRO CB C 36 31.560 31.560 32.153 -0.593 18214 3808 1 12 . 1 1 37 37 ASP N N 37 115.648 115.648 118.888 -3.240 18214 3809 1 12 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.710 -0.214 18214 3810 1 12 . 1 1 37 37 ASP C C 37 177.279 177.279 177.001 0.278 18214 3811 1 12 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.408 -1.198 18214 3812 1 12 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.436 -1.246 18214 3813 1 12 . 1 1 37 37 ASP H H 37 8.500 8.500 7.880 0.620 18214 3814 1 12 . 1 1 38 38 GLY N N 38 107.249 107.249 106.686 0.563 18214 3815 1 12 . 1 1 38 38 GLY C C 38 172.445 172.445 173.245 -0.800 18214 3816 1 12 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.476 1.644 18214 3817 1 12 . 1 1 38 38 GLY H H 38 8.084 8.084 8.252 -0.168 18214 3818 1 12 . 1 1 39 39 LYS N N 39 115.188 115.188 118.766 -3.578 18214 3819 1 12 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.440 -0.051 18214 3820 1 12 . 1 1 39 39 LYS C C 39 175.182 175.182 174.817 0.365 18214 3821 1 12 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.977 -0.067 18214 3822 1 12 . 1 1 39 39 LYS CB C 39 36.880 36.880 35.263 1.617 18214 3823 1 12 . 1 1 39 39 LYS H H 39 7.244 7.244 7.408 -0.164 18214 3824 1 12 . 1 1 40 40 VAL N N 40 120.767 120.767 115.051 5.716 18214 3825 1 12 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.647 -0.285 18214 3826 1 12 . 1 1 40 40 VAL C C 40 171.344 171.344 173.615 -2.271 18214 3827 1 12 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.050 2.290 18214 3828 1 12 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.763 -0.633 18214 3829 1 12 . 1 1 40 40 VAL H H 40 8.914 8.914 8.583 0.331 18214 3830 1 12 . 1 1 41 41 ILE N N 41 127.866 127.866 120.194 7.672 18214 3831 1 12 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.476 0.253 18214 3832 1 12 . 1 1 41 41 ILE C C 41 175.237 175.237 175.792 -0.555 18214 3833 1 12 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.716 -0.806 18214 3834 1 12 . 1 1 41 41 ILE CB C 41 39.200 39.200 37.517 1.683 18214 3835 1 12 . 1 1 41 41 ILE H H 41 8.114 8.114 7.970 0.144 18214 3836 1 12 . 1 1 42 42 ILE N N 42 126.986 126.986 129.754 -2.768 18214 3837 1 12 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.261 0.539 18214 3838 1 12 . 1 1 42 42 ILE C C 42 175.187 175.187 174.956 0.231 18214 3839 1 12 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.345 -2.515 18214 3840 1 12 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.473 1.337 18214 3841 1 12 . 1 1 42 42 ILE H H 42 9.249 9.249 8.784 0.465 18214 3842 1 12 . 1 1 43 43 ASP N N 43 127.951 127.951 127.734 0.217 18214 3843 1 12 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.326 -0.355 18214 3844 1 12 . 1 1 43 43 ASP C C 43 175.505 175.505 174.575 0.930 18214 3845 1 12 . 1 1 43 43 ASP CA C 43 53.970 53.970 52.767 1.203 18214 3846 1 12 . 1 1 43 43 ASP CB C 43 42.210 42.210 43.466 -1.256 18214 3847 1 12 . 1 1 43 43 ASP H H 43 8.800 8.800 8.503 0.297 18214 3848 1 12 . 1 1 44 44 HIS N N 44 126.451 126.451 125.491 0.960 18214 3849 1 12 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.899 0.297 18214 3850 1 12 . 1 1 44 44 HIS C C 44 174.492 174.492 174.003 0.489 18214 3851 1 12 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.652 -1.992 18214 3852 1 12 . 1 1 44 44 HIS CB C 44 33.900 33.900 33.349 0.551 18214 3853 1 12 . 1 1 44 44 HIS H H 44 9.194 9.194 8.616 0.578 18214 3854 1 12 . 1 1 45 45 ASN N N 45 126.311 126.311 122.791 3.520 18214 3855 1 12 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.234 -0.094 18214 3856 1 12 . 1 1 45 45 ASN C C 45 174.892 174.892 175.468 -0.576 18214 3857 1 12 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.896 -0.236 18214 3858 1 12 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.525 -0.335 18214 3859 1 12 . 1 1 45 45 ASN H H 45 9.057 9.057 8.821 0.236 18214 3860 1 12 . 1 1 46 46 GLY N N 46 105.469 105.469 104.561 0.908 18214 3861 1 12 . 1 1 46 46 GLY C C 46 173.945 173.945 173.923 0.022 18214 3862 1 12 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.258 0.182 18214 3863 1 12 . 1 1 46 46 GLY H H 46 8.686 8.686 8.663 0.023 18214 3864 1 12 . 1 1 47 47 GLN N N 47 120.007 120.007 119.470 0.537 18214 3865 1 12 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.487 -0.018 18214 3866 1 12 . 1 1 47 47 GLN C C 47 174.656 174.656 173.881 0.775 18214 3867 1 12 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.576 -0.426 18214 3868 1 12 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.543 0.527 18214 3869 1 12 . 1 1 47 47 GLN H H 47 7.841 7.841 7.607 0.234 18214 3870 1 12 . 1 1 48 48 GLU N N 48 123.081 123.081 119.177 3.904 18214 3871 1 12 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.198 -0.459 18214 3872 1 12 . 1 1 48 48 GLU C C 48 175.877 175.877 174.976 0.901 18214 3873 1 12 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.320 1.850 18214 3874 1 12 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.683 -1.953 18214 3875 1 12 . 1 1 48 48 GLU H H 48 8.505 8.505 8.335 0.170 18214 3876 1 12 . 1 1 49 49 TYR N N 49 124.226 124.226 117.869 6.357 18214 3877 1 12 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.723 0.037 18214 3878 1 12 . 1 1 49 49 TYR C C 49 174.098 174.098 173.663 0.435 18214 3879 1 12 . 1 1 49 49 TYR CA C 49 56.860 56.860 56.129 0.731 18214 3880 1 12 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.708 0.812 18214 3881 1 12 . 1 1 49 49 TYR H H 49 9.086 9.086 8.422 0.664 18214 3882 1 12 . 1 1 50 50 LEU N N 50 123.506 123.506 124.113 -0.607 18214 3883 1 12 . 1 1 50 50 LEU HA H 50 4.841 4.841 5.005 -0.164 18214 3884 1 12 . 1 1 50 50 LEU C C 50 174.459 174.459 174.890 -0.431 18214 3885 1 12 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.090 -0.250 18214 3886 1 12 . 1 1 50 50 LEU CB C 50 43.930 43.930 43.220 0.710 18214 3887 1 12 . 1 1 50 50 LEU H H 50 9.147 9.147 8.704 0.443 18214 3888 1 12 . 1 1 51 51 LEU N N 51 129.785 129.785 128.946 0.839 18214 3889 1 12 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.293 -0.060 18214 3890 1 12 . 1 1 51 51 LEU C C 51 174.246 174.246 174.177 0.069 18214 3891 1 12 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.811 0.129 18214 3892 1 12 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.601 -1.711 18214 3893 1 12 . 1 1 51 51 LEU H H 51 8.803 8.803 8.678 0.125 18214 3894 1 12 . 1 1 52 52 ARG N N 52 121.867 121.867 122.968 -1.101 18214 3895 1 12 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.065 0.227 18214 3896 1 12 . 1 1 52 52 ARG C C 52 173.561 173.561 175.189 -1.628 18214 3897 1 12 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.984 -0.764 18214 3898 1 12 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.441 1.119 18214 3899 1 12 . 1 1 52 52 ARG H H 52 8.740 8.740 8.619 0.121 18214 3900 1 12 . 1 1 53 53 LYS N N 53 118.467 118.467 127.292 -8.825 18214 3901 1 12 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.751 0.409 18214 3902 1 12 . 1 1 53 53 LYS C C 53 176.879 176.879 176.886 -0.007 18214 3903 1 12 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.243 -2.583 18214 3904 1 12 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.802 1.998 18214 3905 1 12 . 1 1 53 53 LYS H H 53 7.912 7.912 8.267 -0.355 18214 3906 1 12 . 1 1 54 54 THR N N 54 114.428 114.428 116.910 -2.482 18214 3907 1 12 . 1 1 54 54 THR HA H 54 4.703 4.703 4.301 0.402 18214 3908 1 12 . 1 1 54 54 THR CA C 54 59.430 59.430 61.568 -2.138 18214 3909 1 12 . 1 1 54 54 THR CB C 54 71.730 71.730 70.146 1.584 18214 3910 1 12 . 1 1 54 54 THR H H 54 8.753 8.753 8.311 0.442 18214 3911 1 12 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.328 0.027 18214 3912 1 12 . 1 1 56 56 ALA C C 56 177.569 177.569 177.793 -0.224 18214 3913 1 12 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.860 0.170 18214 3914 1 12 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.630 0.270 18214 3915 1 12 . 1 1 57 57 GLY N N 57 106.509 106.509 106.470 0.039 18214 3916 1 12 . 1 1 57 57 GLY C C 57 174.678 174.678 174.144 0.534 18214 3917 1 12 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.144 0.456 18214 3918 1 12 . 1 1 57 57 GLY H H 57 7.961 7.961 7.899 0.062 18214 3919 1 12 . 1 1 58 58 LYS N N 58 118.787 118.787 118.683 0.104 18214 3920 1 12 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.659 -0.031 18214 3921 1 12 . 1 1 58 58 LYS C C 58 174.755 174.755 174.974 -0.219 18214 3922 1 12 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.045 0.615 18214 3923 1 12 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.389 -2.439 18214 3924 1 12 . 1 1 58 58 LYS H H 58 7.064 7.064 7.876 -0.812 18214 3925 1 12 . 1 1 59 59 LEU N N 59 117.082 117.082 120.020 -2.938 18214 3926 1 12 . 1 1 59 59 LEU HA H 59 4.780 4.780 4.916 -0.136 18214 3927 1 12 . 1 1 59 59 LEU C C 59 174.903 174.903 176.135 -1.232 18214 3928 1 12 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.697 -0.577 18214 3929 1 12 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.614 0.476 18214 3930 1 12 . 1 1 59 59 LEU H H 59 6.661 6.661 8.332 -1.671 18214 3931 1 12 . 1 1 60 60 LEU N N 60 121.360 121.360 126.683 -5.323 18214 3932 1 12 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.655 -0.300 18214 3933 1 12 . 1 1 60 60 LEU C C 60 174.005 174.005 174.561 -0.556 18214 3934 1 12 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.146 -0.316 18214 3935 1 12 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.217 2.824 18214 3936 1 12 . 1 1 60 60 LEU H H 60 8.457 8.457 8.691 -0.234 18214 3937 1 12 . 1 1 61 61 LEU N N 61 127.886 127.886 130.019 -2.133 18214 3938 1 12 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.103 0.343 18214 3939 1 12 . 1 1 61 61 LEU C C 61 175.910 175.910 176.497 -0.587 18214 3940 1 12 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.653 -0.373 18214 3941 1 12 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.566 4.404 18214 3942 1 12 . 1 1 61 61 LEU H H 61 8.556 8.556 8.655 -0.099 18214 3943 1 12 . 1 1 62 62 THR N N 62 120.607 120.607 119.898 0.709 18214 3944 1 12 . 1 1 62 62 THR HA H 62 4.749 4.749 4.640 0.109 18214 3945 1 12 . 1 1 62 62 THR C C 62 171.903 171.903 174.314 -2.411 18214 3946 1 12 . 1 1 62 62 THR CA C 62 60.240 60.240 60.831 -0.591 18214 3947 1 12 . 1 1 62 62 THR CB C 62 71.970 71.970 70.955 1.015 18214 3948 1 12 . 1 1 62 62 THR H H 62 9.281 9.281 8.977 0.304 18214 3949 1 13 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.519 -0.233 18214 3950 1 13 . 1 1 3 3 ARG C C 3 176.261 176.261 176.196 0.065 18214 3951 1 13 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.933 0.297 18214 3952 1 13 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.641 0.119 18214 3953 1 13 . 1 1 4 4 MET N N 4 121.127 121.127 123.530 -2.403 18214 3954 1 13 . 1 1 4 4 MET HA H 4 4.392 4.392 4.548 -0.156 18214 3955 1 13 . 1 1 4 4 MET C C 4 175.779 175.779 175.067 0.712 18214 3956 1 13 . 1 1 4 4 MET CA C 4 55.440 55.440 54.940 0.500 18214 3957 1 13 . 1 1 4 4 MET CB C 4 32.820 32.820 32.426 0.394 18214 3958 1 13 . 1 1 4 4 MET H H 4 8.318 8.318 8.079 0.239 18214 3959 1 13 . 1 1 5 5 ASP N N 5 121.087 121.087 128.083 -6.996 18214 3960 1 13 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.591 -0.069 18214 3961 1 13 . 1 1 5 5 ASP C C 5 175.850 175.850 175.665 0.185 18214 3962 1 13 . 1 1 5 5 ASP CA C 5 54.220 54.220 53.536 0.684 18214 3963 1 13 . 1 1 5 5 ASP CB C 5 41.200 41.200 40.182 1.018 18214 3964 1 13 . 1 1 5 5 ASP H H 5 8.247 8.247 8.420 -0.173 18214 3965 1 13 . 1 1 6 6 ASN N N 6 119.267 119.267 122.439 -3.172 18214 3966 1 13 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.719 -0.055 18214 3967 1 13 . 1 1 6 6 ASN C C 6 175.478 175.478 175.540 -0.062 18214 3968 1 13 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.013 0.357 18214 3969 1 13 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.404 -0.884 18214 3970 1 13 . 1 1 6 6 ASN H H 6 8.320 8.320 7.841 0.479 18214 3971 1 13 . 1 1 7 7 THR N N 7 114.228 114.228 116.213 -1.985 18214 3972 1 13 . 1 1 7 7 THR HA H 7 4.179 4.179 4.289 -0.110 18214 3973 1 13 . 1 1 7 7 THR C C 7 174.476 174.476 174.664 -0.188 18214 3974 1 13 . 1 1 7 7 THR CA C 7 62.340 62.340 62.964 -0.624 18214 3975 1 13 . 1 1 7 7 THR CB C 7 69.650 69.650 69.493 0.158 18214 3976 1 13 . 1 1 7 7 THR H H 7 8.111 8.111 8.258 -0.147 18214 3977 1 13 . 1 1 8 8 GLU N N 8 122.962 122.962 124.765 -1.803 18214 3978 1 13 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.188 0.035 18214 3979 1 13 . 1 1 8 8 GLU C C 8 176.020 176.020 176.439 -0.419 18214 3980 1 13 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.231 -0.001 18214 3981 1 13 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.199 0.061 18214 3982 1 13 . 1 1 8 8 GLU H H 8 8.256 8.256 8.412 -0.156 18214 3983 1 13 . 1 1 9 9 LEU N N 9 124.766 124.766 127.226 -2.460 18214 3984 1 13 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.348 0.135 18214 3985 1 13 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.482 -0.312 18214 3986 1 13 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.252 0.338 18214 3987 1 13 . 1 1 9 9 LEU H H 9 8.130 8.130 8.323 -0.193 18214 3988 1 13 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.272 0.020 18214 3989 1 13 . 1 1 10 10 PRO C C 10 176.337 176.337 175.973 0.364 18214 3990 1 13 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.096 -0.246 18214 3991 1 13 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.245 -0.325 18214 3992 1 13 . 1 1 11 11 HIS N N 11 120.147 120.147 122.407 -2.260 18214 3993 1 13 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.502 0.323 18214 3994 1 13 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.952 -1.522 18214 3995 1 13 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.768 -0.398 18214 3996 1 13 . 1 1 11 11 HIS H H 11 8.329 8.329 8.230 0.099 18214 3997 1 13 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.370 -0.043 18214 3998 1 13 . 1 1 12 12 PRO C C 12 176.731 176.731 176.413 0.318 18214 3999 1 13 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.191 -0.001 18214 4000 1 13 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.096 0.014 18214 4001 1 13 . 1 1 13 13 LYS N N 13 121.927 121.927 125.788 -3.861 18214 4002 1 13 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.185 0.016 18214 4003 1 13 . 1 1 13 13 LYS C C 13 176.622 176.622 176.370 0.252 18214 4004 1 13 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.534 0.066 18214 4005 1 13 . 1 1 13 13 LYS CB C 13 33.020 33.020 32.470 0.550 18214 4006 1 13 . 1 1 13 13 LYS H H 13 8.472 8.472 8.461 0.011 18214 4007 1 13 . 1 1 14 14 GLU N N 14 122.532 122.532 123.843 -1.311 18214 4008 1 13 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.435 -0.230 18214 4009 1 13 . 1 1 14 14 GLU C C 14 176.326 176.326 176.344 -0.018 18214 4010 1 13 . 1 1 14 14 GLU CA C 14 56.570 56.570 55.746 0.824 18214 4011 1 13 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.507 -0.407 18214 4012 1 13 . 1 1 14 14 GLU H H 14 8.442 8.442 8.351 0.091 18214 4013 1 13 . 1 1 15 15 ILE N N 15 121.207 121.207 124.545 -3.338 18214 4014 1 13 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.258 -0.191 18214 4015 1 13 . 1 1 15 15 ILE C C 15 175.680 175.680 175.468 0.212 18214 4016 1 13 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.102 -0.143 18214 4017 1 13 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.170 0.680 18214 4018 1 13 . 1 1 15 15 ILE H H 15 8.068 8.068 8.485 -0.417 18214 4019 1 13 . 1 1 16 16 ASP N N 16 124.246 124.246 127.513 -3.267 18214 4020 1 13 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.701 -0.177 18214 4021 1 13 . 1 1 16 16 ASP C C 16 175.965 175.965 174.903 1.062 18214 4022 1 13 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.229 0.321 18214 4023 1 13 . 1 1 16 16 ASP CB C 16 40.970 40.970 42.527 -1.557 18214 4024 1 13 . 1 1 16 16 ASP H H 16 8.284 8.284 8.458 -0.174 18214 4025 1 13 . 1 1 17 17 ASN N N 17 119.667 119.667 123.150 -3.483 18214 4026 1 13 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.769 -0.192 18214 4027 1 13 . 1 1 17 17 ASN C C 17 175.417 175.417 175.515 -0.098 18214 4028 1 13 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.419 0.271 18214 4029 1 13 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.633 0.167 18214 4030 1 13 . 1 1 17 17 ASN H H 17 8.317 8.317 8.592 -0.275 18214 4031 1 13 . 1 1 18 18 GLU N N 18 120.842 120.842 122.881 -2.039 18214 4032 1 13 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.411 -0.214 18214 4033 1 13 . 1 1 18 18 GLU C C 18 176.704 176.704 176.498 0.206 18214 4034 1 13 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.364 0.407 18214 4035 1 13 . 1 1 18 18 GLU CB C 18 30.100 30.100 30.059 0.041 18214 4036 1 13 . 1 1 18 18 GLU H H 18 8.407 8.407 8.803 -0.396 18214 4037 1 13 . 1 1 19 19 THR N N 19 115.248 115.248 114.469 0.779 18214 4038 1 13 . 1 1 19 19 THR HA H 19 4.177 4.177 4.230 -0.053 18214 4039 1 13 . 1 1 19 19 THR C C 19 174.186 174.186 174.772 -0.586 18214 4040 1 13 . 1 1 19 19 THR CA C 19 62.250 62.250 62.485 -0.235 18214 4041 1 13 . 1 1 19 19 THR CB C 19 69.650 69.650 69.603 0.047 18214 4042 1 13 . 1 1 19 19 THR H H 19 8.074 8.074 7.621 0.453 18214 4043 1 13 . 1 1 20 20 LEU N N 20 124.826 124.826 123.044 1.782 18214 4044 1 13 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.386 -0.122 18214 4045 1 13 . 1 1 20 20 LEU C C 20 176.698 176.698 177.281 -0.583 18214 4046 1 13 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.569 0.011 18214 4047 1 13 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.196 -0.086 18214 4048 1 13 . 1 1 20 20 LEU H H 20 8.074 8.074 8.180 -0.106 18214 4049 1 13 . 1 1 21 21 LEU N N 21 124.466 124.466 123.582 0.884 18214 4050 1 13 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.708 -0.196 18214 4051 1 13 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.866 -0.286 18214 4052 1 13 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.928 -0.068 18214 4053 1 13 . 1 1 21 21 LEU H H 21 8.088 8.088 8.138 -0.050 18214 4054 1 13 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.592 -0.300 18214 4055 1 13 . 1 1 22 22 PRO C C 22 176.540 176.540 177.029 -0.489 18214 4056 1 13 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.434 0.476 18214 4057 1 13 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.546 -0.416 18214 4058 1 13 . 1 1 23 23 ALA N N 23 124.451 124.451 124.853 -0.402 18214 4059 1 13 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.149 0.009 18214 4060 1 13 . 1 1 23 23 ALA C C 23 177.005 177.005 176.154 0.851 18214 4061 1 13 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.199 -0.969 18214 4062 1 13 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.439 -0.129 18214 4063 1 13 . 1 1 23 23 ALA H H 23 8.314 8.314 8.560 -0.246 18214 4064 1 13 . 1 1 24 24 ALA N N 24 121.792 121.792 119.666 2.126 18214 4065 1 13 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.565 -0.309 18214 4066 1 13 . 1 1 24 24 ALA C C 24 177.065 177.065 175.762 1.303 18214 4067 1 13 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.676 0.174 18214 4068 1 13 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.826 -0.526 18214 4069 1 13 . 1 1 24 24 ALA H H 24 7.994 7.994 7.682 0.312 18214 4070 1 13 . 1 1 25 25 GLU N N 25 120.287 120.287 118.101 2.186 18214 4071 1 13 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.376 -0.250 18214 4072 1 13 . 1 1 25 25 GLU C C 25 176.233 176.233 175.901 0.332 18214 4073 1 13 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.666 1.144 18214 4074 1 13 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.564 0.676 18214 4075 1 13 . 1 1 25 25 GLU H H 25 8.404 8.404 8.456 -0.052 18214 4076 1 13 . 1 1 26 26 ARG N N 26 123.246 123.246 122.271 0.975 18214 4077 1 13 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.301 0.034 18214 4078 1 13 . 1 1 26 26 ARG C C 26 174.514 174.514 175.363 -0.849 18214 4079 1 13 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.805 0.375 18214 4080 1 13 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.711 1.629 18214 4081 1 13 . 1 1 26 26 ARG H H 26 8.598 8.598 7.985 0.613 18214 4082 1 13 . 1 1 27 27 ARG N N 27 123.563 123.563 127.393 -3.830 18214 4083 1 13 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.556 0.888 18214 4084 1 13 . 1 1 27 27 ARG C C 27 175.308 175.308 176.303 -0.995 18214 4085 1 13 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.216 -2.046 18214 4086 1 13 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.458 5.042 18214 4087 1 13 . 1 1 27 27 ARG H H 27 8.230 8.230 8.324 -0.094 18214 4088 1 13 . 1 1 28 28 VAL N N 28 120.927 120.927 119.161 1.766 18214 4089 1 13 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.559 -0.124 18214 4090 1 13 . 1 1 28 28 VAL C C 28 173.178 173.178 173.802 -0.624 18214 4091 1 13 . 1 1 28 28 VAL CA C 28 59.790 59.790 58.720 1.070 18214 4092 1 13 . 1 1 28 28 VAL CB C 28 35.510 35.510 36.021 -0.511 18214 4093 1 13 . 1 1 28 28 VAL H H 28 9.062 9.062 8.422 0.640 18214 4094 1 13 . 1 1 29 29 ASN N N 29 124.526 124.526 118.491 6.035 18214 4095 1 13 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.906 0.247 18214 4096 1 13 . 1 1 29 29 ASN C C 29 177.848 177.848 177.109 0.739 18214 4097 1 13 . 1 1 29 29 ASN CA C 29 53.160 53.160 52.806 0.354 18214 4098 1 13 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.245 0.845 18214 4099 1 13 . 1 1 29 29 ASN H H 29 8.779 8.779 8.364 0.415 18214 4100 1 13 . 1 1 30 30 SER N N 30 123.081 123.081 115.530 7.551 18214 4101 1 13 . 1 1 30 30 SER HA H 30 3.730 3.730 4.052 -0.322 18214 4102 1 13 . 1 1 30 30 SER C C 30 175.833 175.833 176.541 -0.708 18214 4103 1 13 . 1 1 30 30 SER CA C 30 62.010 62.010 61.692 0.318 18214 4104 1 13 . 1 1 30 30 SER CB C 30 60.920 60.920 62.598 -1.678 18214 4105 1 13 . 1 1 30 30 SER H H 30 9.338 9.338 8.528 0.810 18214 4106 1 13 . 1 1 31 31 GLN N N 31 122.307 122.307 120.310 1.997 18214 4107 1 13 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.170 -0.137 18214 4108 1 13 . 1 1 31 31 GLN C C 31 177.569 177.569 177.002 0.567 18214 4109 1 13 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.099 0.651 18214 4110 1 13 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.412 -0.602 18214 4111 1 13 . 1 1 31 31 GLN H H 31 8.938 8.938 8.002 0.936 18214 4112 1 13 . 1 1 32 32 ALA N N 32 119.987 119.987 121.712 -1.725 18214 4113 1 13 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.565 -0.337 18214 4114 1 13 . 1 1 32 32 ALA C C 32 177.908 177.908 178.217 -0.309 18214 4115 1 13 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.038 1.972 18214 4116 1 13 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.694 0.196 18214 4117 1 13 . 1 1 32 32 ALA H H 32 7.477 7.477 7.699 -0.222 18214 4118 1 13 . 1 1 33 33 LEU N N 33 117.867 117.867 116.538 1.329 18214 4119 1 13 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.935 0.187 18214 4120 1 13 . 1 1 33 33 LEU C C 33 176.348 176.348 176.482 -0.134 18214 4121 1 13 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.178 -0.898 18214 4122 1 13 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.007 2.663 18214 4123 1 13 . 1 1 33 33 LEU H H 33 7.269 7.269 7.368 -0.099 18214 4124 1 13 . 1 1 34 34 LEU N N 34 114.642 114.642 114.813 -0.171 18214 4125 1 13 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.551 -0.851 18214 4126 1 13 . 1 1 34 34 LEU C C 34 177.870 177.870 178.260 -0.390 18214 4127 1 13 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.302 1.098 18214 4128 1 13 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.522 -1.171 18214 4129 1 13 . 1 1 34 34 LEU H H 34 7.915 7.915 7.562 0.353 18214 4130 1 13 . 1 1 35 35 GLY N N 35 104.529 104.529 108.122 -3.593 18214 4131 1 13 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.426 -0.816 18214 4132 1 13 . 1 1 35 35 GLY H H 35 7.650 7.650 8.195 -0.545 18214 4133 1 13 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.444 -0.121 18214 4134 1 13 . 1 1 36 36 PRO C C 36 177.043 177.043 176.407 0.636 18214 4135 1 13 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.124 0.557 18214 4136 1 13 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.963 -0.403 18214 4137 1 13 . 1 1 37 37 ASP N N 37 115.648 115.648 119.809 -4.161 18214 4138 1 13 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.541 -0.045 18214 4139 1 13 . 1 1 37 37 ASP C C 37 177.279 177.279 177.244 0.035 18214 4140 1 13 . 1 1 37 37 ASP CA C 37 53.210 53.210 55.644 -2.434 18214 4141 1 13 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.342 -1.152 18214 4142 1 13 . 1 1 37 37 ASP H H 37 8.500 8.500 7.753 0.747 18214 4143 1 13 . 1 1 38 38 GLY N N 38 107.249 107.249 106.000 1.249 18214 4144 1 13 . 1 1 38 38 GLY C C 38 172.445 172.445 173.118 -0.673 18214 4145 1 13 . 1 1 38 38 GLY CA C 38 47.120 47.120 46.037 1.083 18214 4146 1 13 . 1 1 38 38 GLY H H 38 8.084 8.084 8.253 -0.169 18214 4147 1 13 . 1 1 39 39 LYS N N 39 115.188 115.188 119.999 -4.811 18214 4148 1 13 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.372 0.017 18214 4149 1 13 . 1 1 39 39 LYS C C 39 175.182 175.182 174.877 0.305 18214 4150 1 13 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.683 0.227 18214 4151 1 13 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.196 2.684 18214 4152 1 13 . 1 1 39 39 LYS H H 39 7.244 7.244 7.603 -0.359 18214 4153 1 13 . 1 1 40 40 VAL N N 40 120.767 120.767 117.851 2.916 18214 4154 1 13 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.597 -0.235 18214 4155 1 13 . 1 1 40 40 VAL C C 40 171.344 171.344 173.353 -2.009 18214 4156 1 13 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.866 1.474 18214 4157 1 13 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.746 -0.616 18214 4158 1 13 . 1 1 40 40 VAL H H 40 8.914 8.914 8.479 0.435 18214 4159 1 13 . 1 1 41 41 ILE N N 41 127.866 127.866 120.680 7.186 18214 4160 1 13 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.232 0.497 18214 4161 1 13 . 1 1 41 41 ILE C C 41 175.237 175.237 175.190 0.047 18214 4162 1 13 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.789 -0.879 18214 4163 1 13 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.076 1.124 18214 4164 1 13 . 1 1 41 41 ILE H H 41 8.114 8.114 8.096 0.018 18214 4165 1 13 . 1 1 42 42 ILE N N 42 126.986 126.986 129.297 -2.311 18214 4166 1 13 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.267 0.533 18214 4167 1 13 . 1 1 42 42 ILE C C 42 175.187 175.187 174.828 0.359 18214 4168 1 13 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.138 -1.308 18214 4169 1 13 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.947 1.863 18214 4170 1 13 . 1 1 42 42 ILE H H 42 9.249 9.249 8.482 0.767 18214 4171 1 13 . 1 1 43 43 ASP N N 43 127.951 127.951 128.619 -0.668 18214 4172 1 13 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.264 -0.293 18214 4173 1 13 . 1 1 43 43 ASP C C 43 175.505 175.505 174.497 1.008 18214 4174 1 13 . 1 1 43 43 ASP CA C 43 53.970 53.970 52.636 1.334 18214 4175 1 13 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.995 -0.785 18214 4176 1 13 . 1 1 43 43 ASP H H 43 8.800 8.800 8.578 0.222 18214 4177 1 13 . 1 1 44 44 HIS N N 44 126.451 126.451 126.873 -0.422 18214 4178 1 13 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.842 0.354 18214 4179 1 13 . 1 1 44 44 HIS C C 44 174.492 174.492 174.713 -0.221 18214 4180 1 13 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.361 -1.701 18214 4181 1 13 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.011 1.889 18214 4182 1 13 . 1 1 44 44 HIS H H 44 9.194 9.194 8.357 0.837 18214 4183 1 13 . 1 1 45 45 ASN N N 45 126.311 126.311 126.479 -0.168 18214 4184 1 13 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.279 -0.139 18214 4185 1 13 . 1 1 45 45 ASN C C 45 174.892 174.892 175.378 -0.486 18214 4186 1 13 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.996 -0.336 18214 4187 1 13 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.608 -0.418 18214 4188 1 13 . 1 1 45 45 ASN H H 45 9.057 9.057 9.044 0.013 18214 4189 1 13 . 1 1 46 46 GLY N N 46 105.469 105.469 103.069 2.400 18214 4190 1 13 . 1 1 46 46 GLY C C 46 173.945 173.945 174.210 -0.265 18214 4191 1 13 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.015 0.425 18214 4192 1 13 . 1 1 46 46 GLY H H 46 8.686 8.686 8.426 0.260 18214 4193 1 13 . 1 1 47 47 GLN N N 47 120.007 120.007 120.920 -0.913 18214 4194 1 13 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.431 0.038 18214 4195 1 13 . 1 1 47 47 GLN C C 47 174.656 174.656 175.137 -0.481 18214 4196 1 13 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.619 -1.469 18214 4197 1 13 . 1 1 47 47 GLN CB C 47 31.070 31.070 29.834 1.236 18214 4198 1 13 . 1 1 47 47 GLN H H 47 7.841 7.841 7.755 0.086 18214 4199 1 13 . 1 1 48 48 GLU N N 48 123.081 123.081 122.975 0.106 18214 4200 1 13 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.316 -0.577 18214 4201 1 13 . 1 1 48 48 GLU C C 48 175.877 175.877 175.441 0.436 18214 4202 1 13 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.432 1.738 18214 4203 1 13 . 1 1 48 48 GLU CB C 48 30.730 30.730 31.030 -0.300 18214 4204 1 13 . 1 1 48 48 GLU H H 48 8.505 8.505 8.677 -0.172 18214 4205 1 13 . 1 1 49 49 TYR N N 49 124.226 124.226 117.965 6.261 18214 4206 1 13 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.799 -0.039 18214 4207 1 13 . 1 1 49 49 TYR C C 49 174.098 174.098 173.894 0.204 18214 4208 1 13 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.693 1.167 18214 4209 1 13 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.336 1.184 18214 4210 1 13 . 1 1 49 49 TYR H H 49 9.086 9.086 8.296 0.789 18214 4211 1 13 . 1 1 50 50 LEU N N 50 123.506 123.506 126.863 -3.357 18214 4212 1 13 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.803 0.038 18214 4213 1 13 . 1 1 50 50 LEU C C 50 174.459 174.459 174.979 -0.520 18214 4214 1 13 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.349 -0.508 18214 4215 1 13 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.410 1.520 18214 4216 1 13 . 1 1 50 50 LEU H H 50 9.147 9.147 8.683 0.464 18214 4217 1 13 . 1 1 51 51 LEU N N 51 129.785 129.785 129.449 0.336 18214 4218 1 13 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.190 0.043 18214 4219 1 13 . 1 1 51 51 LEU C C 51 174.246 174.246 174.322 -0.076 18214 4220 1 13 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.936 0.004 18214 4221 1 13 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.906 -1.016 18214 4222 1 13 . 1 1 51 51 LEU H H 51 8.803 8.803 8.768 0.035 18214 4223 1 13 . 1 1 52 52 ARG N N 52 121.867 121.867 123.643 -1.776 18214 4224 1 13 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.251 0.041 18214 4225 1 13 . 1 1 52 52 ARG C C 52 173.561 173.561 175.246 -1.685 18214 4226 1 13 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.660 -0.440 18214 4227 1 13 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.251 1.309 18214 4228 1 13 . 1 1 52 52 ARG H H 52 8.740 8.740 8.645 0.095 18214 4229 1 13 . 1 1 53 53 LYS N N 53 118.467 118.467 127.438 -8.971 18214 4230 1 13 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.851 0.309 18214 4231 1 13 . 1 1 53 53 LYS C C 53 176.879 176.879 176.862 0.017 18214 4232 1 13 . 1 1 53 53 LYS CA C 53 53.660 53.660 55.772 -2.112 18214 4233 1 13 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.978 1.822 18214 4234 1 13 . 1 1 53 53 LYS H H 53 7.912 7.912 8.272 -0.360 18214 4235 1 13 . 1 1 54 54 THR N N 54 114.428 114.428 117.225 -2.797 18214 4236 1 13 . 1 1 54 54 THR HA H 54 4.703 4.703 4.293 0.410 18214 4237 1 13 . 1 1 54 54 THR CA C 54 59.430 59.430 61.403 -1.973 18214 4238 1 13 . 1 1 54 54 THR CB C 54 71.730 71.730 69.995 1.735 18214 4239 1 13 . 1 1 54 54 THR H H 54 8.753 8.753 8.276 0.477 18214 4240 1 13 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.338 0.017 18214 4241 1 13 . 1 1 56 56 ALA C C 56 177.569 177.569 177.874 -0.305 18214 4242 1 13 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.777 0.253 18214 4243 1 13 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.543 0.357 18214 4244 1 13 . 1 1 57 57 GLY N N 57 106.509 106.509 106.787 -0.278 18214 4245 1 13 . 1 1 57 57 GLY C C 57 174.678 174.678 174.063 0.615 18214 4246 1 13 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.259 0.341 18214 4247 1 13 . 1 1 57 57 GLY H H 57 7.961 7.961 7.857 0.104 18214 4248 1 13 . 1 1 58 58 LYS N N 58 118.787 118.787 118.570 0.217 18214 4249 1 13 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.631 -0.003 18214 4250 1 13 . 1 1 58 58 LYS C C 58 174.755 174.755 174.928 -0.173 18214 4251 1 13 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.112 0.548 18214 4252 1 13 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.416 -2.466 18214 4253 1 13 . 1 1 58 58 LYS H H 58 7.064 7.064 7.813 -0.749 18214 4254 1 13 . 1 1 59 59 LEU N N 59 117.082 117.082 120.091 -3.009 18214 4255 1 13 . 1 1 59 59 LEU HA H 59 4.780 4.780 4.846 -0.066 18214 4256 1 13 . 1 1 59 59 LEU C C 59 174.903 174.903 176.056 -1.153 18214 4257 1 13 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.766 -0.646 18214 4258 1 13 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.502 0.588 18214 4259 1 13 . 1 1 59 59 LEU H H 59 6.661 6.661 8.341 -1.680 18214 4260 1 13 . 1 1 60 60 LEU N N 60 121.360 121.360 126.567 -5.207 18214 4261 1 13 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.675 -0.320 18214 4262 1 13 . 1 1 60 60 LEU C C 60 174.005 174.005 174.568 -0.563 18214 4263 1 13 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.085 -0.255 18214 4264 1 13 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.717 2.323 18214 4265 1 13 . 1 1 60 60 LEU H H 60 8.457 8.457 8.672 -0.215 18214 4266 1 13 . 1 1 61 61 LEU N N 61 127.886 127.886 129.465 -1.579 18214 4267 1 13 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.675 0.771 18214 4268 1 13 . 1 1 61 61 LEU C C 61 175.910 175.910 176.560 -0.650 18214 4269 1 13 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.831 -0.551 18214 4270 1 13 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.340 4.630 18214 4271 1 13 . 1 1 61 61 LEU H H 61 8.556 8.556 8.773 -0.217 18214 4272 1 13 . 1 1 62 62 THR N N 62 120.607 120.607 120.538 0.069 18214 4273 1 13 . 1 1 62 62 THR HA H 62 4.749 4.749 4.695 0.054 18214 4274 1 13 . 1 1 62 62 THR C C 62 171.903 171.903 173.668 -1.765 18214 4275 1 13 . 1 1 62 62 THR CA C 62 60.240 60.240 60.575 -0.335 18214 4276 1 13 . 1 1 62 62 THR CB C 62 71.970 71.970 71.234 0.736 18214 4277 1 13 . 1 1 62 62 THR H H 62 9.281 9.281 8.845 0.436 18214 4278 1 14 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.495 -0.209 18214 4279 1 14 . 1 1 3 3 ARG C C 3 176.261 176.261 175.291 0.970 18214 4280 1 14 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.790 0.440 18214 4281 1 14 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.649 0.111 18214 4282 1 14 . 1 1 4 4 MET N N 4 121.127 121.127 119.141 1.986 18214 4283 1 14 . 1 1 4 4 MET HA H 4 4.392 4.392 4.755 -0.363 18214 4284 1 14 . 1 1 4 4 MET C C 4 175.779 175.779 175.476 0.303 18214 4285 1 14 . 1 1 4 4 MET CA C 4 55.440 55.440 54.713 0.727 18214 4286 1 14 . 1 1 4 4 MET CB C 4 32.820 32.820 32.245 0.576 18214 4287 1 14 . 1 1 4 4 MET H H 4 8.318 8.318 7.767 0.551 18214 4288 1 14 . 1 1 5 5 ASP N N 5 121.087 121.087 122.934 -1.847 18214 4289 1 14 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.695 -0.173 18214 4290 1 14 . 1 1 5 5 ASP C C 5 175.850 175.850 175.882 -0.032 18214 4291 1 14 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.253 -0.033 18214 4292 1 14 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.742 -0.542 18214 4293 1 14 . 1 1 5 5 ASP H H 5 8.247 8.247 8.891 -0.644 18214 4294 1 14 . 1 1 6 6 ASN N N 6 119.267 119.267 118.691 0.576 18214 4295 1 14 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.719 -0.055 18214 4296 1 14 . 1 1 6 6 ASN C C 6 175.478 175.478 175.525 -0.047 18214 4297 1 14 . 1 1 6 6 ASN CA C 6 53.370 53.370 52.942 0.428 18214 4298 1 14 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.975 -0.455 18214 4299 1 14 . 1 1 6 6 ASN H H 6 8.320 8.320 7.736 0.584 18214 4300 1 14 . 1 1 7 7 THR N N 7 114.228 114.228 117.686 -3.458 18214 4301 1 14 . 1 1 7 7 THR HA H 7 4.179 4.179 4.327 -0.148 18214 4302 1 14 . 1 1 7 7 THR C C 7 174.476 174.476 174.322 0.154 18214 4303 1 14 . 1 1 7 7 THR CA C 7 62.340 62.340 62.570 -0.230 18214 4304 1 14 . 1 1 7 7 THR CB C 7 69.650 69.650 68.162 1.488 18214 4305 1 14 . 1 1 7 7 THR H H 7 8.111 8.111 8.366 -0.255 18214 4306 1 14 . 1 1 8 8 GLU N N 8 122.962 122.962 126.143 -3.181 18214 4307 1 14 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.307 -0.084 18214 4308 1 14 . 1 1 8 8 GLU C C 8 176.020 176.020 176.365 -0.345 18214 4309 1 14 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.511 -0.281 18214 4310 1 14 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.345 -0.085 18214 4311 1 14 . 1 1 8 8 GLU H H 8 8.256 8.256 8.214 0.042 18214 4312 1 14 . 1 1 9 9 LEU N N 9 124.766 124.766 127.234 -2.468 18214 4313 1 14 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.669 -0.186 18214 4314 1 14 . 1 1 9 9 LEU CA C 9 53.170 53.170 52.282 0.888 18214 4315 1 14 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.746 -0.156 18214 4316 1 14 . 1 1 9 9 LEU H H 9 8.130 8.130 8.382 -0.252 18214 4317 1 14 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.439 -0.147 18214 4318 1 14 . 1 1 10 10 PRO C C 10 176.337 176.337 175.674 0.663 18214 4319 1 14 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.607 -0.757 18214 4320 1 14 . 1 1 10 10 PRO CB C 10 31.920 31.920 31.994 -0.074 18214 4321 1 14 . 1 1 11 11 HIS N N 11 120.147 120.147 122.727 -2.580 18214 4322 1 14 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.865 -0.040 18214 4323 1 14 . 1 1 11 11 HIS CA C 11 53.430 53.430 53.037 0.393 18214 4324 1 14 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.862 -0.492 18214 4325 1 14 . 1 1 11 11 HIS H H 11 8.329 8.329 8.298 0.031 18214 4326 1 14 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.532 -0.205 18214 4327 1 14 . 1 1 12 12 PRO C C 12 176.731 176.731 176.236 0.495 18214 4328 1 14 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.609 0.581 18214 4329 1 14 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.278 -0.168 18214 4330 1 14 . 1 1 13 13 LYS N N 13 121.927 121.927 123.042 -1.115 18214 4331 1 14 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.499 -0.298 18214 4332 1 14 . 1 1 13 13 LYS C C 13 176.622 176.622 175.696 0.926 18214 4333 1 14 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.149 0.451 18214 4334 1 14 . 1 1 13 13 LYS CB C 13 33.020 33.020 34.771 -1.751 18214 4335 1 14 . 1 1 13 13 LYS H H 13 8.472 8.472 8.382 0.090 18214 4336 1 14 . 1 1 14 14 GLU N N 14 122.532 122.532 124.010 -1.478 18214 4337 1 14 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.248 -0.043 18214 4338 1 14 . 1 1 14 14 GLU C C 14 176.326 176.326 176.659 -0.333 18214 4339 1 14 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.517 0.053 18214 4340 1 14 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.632 0.468 18214 4341 1 14 . 1 1 14 14 GLU H H 14 8.442 8.442 8.684 -0.242 18214 4342 1 14 . 1 1 15 15 ILE N N 15 121.207 121.207 127.213 -6.006 18214 4343 1 14 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.013 0.054 18214 4344 1 14 . 1 1 15 15 ILE C C 15 175.680 175.680 175.650 0.030 18214 4345 1 14 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.939 -0.979 18214 4346 1 14 . 1 1 15 15 ILE CB C 15 38.850 38.850 36.974 1.876 18214 4347 1 14 . 1 1 15 15 ILE H H 15 8.068 8.068 8.503 -0.435 18214 4348 1 14 . 1 1 16 16 ASP N N 16 124.246 124.246 127.728 -3.482 18214 4349 1 14 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.719 -0.195 18214 4350 1 14 . 1 1 16 16 ASP C C 16 175.965 175.965 174.728 1.237 18214 4351 1 14 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.835 -0.285 18214 4352 1 14 . 1 1 16 16 ASP CB C 16 40.970 40.970 42.102 -1.132 18214 4353 1 14 . 1 1 16 16 ASP H H 16 8.284 8.284 8.117 0.167 18214 4354 1 14 . 1 1 17 17 ASN N N 17 119.667 119.667 125.241 -5.574 18214 4355 1 14 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.793 -0.216 18214 4356 1 14 . 1 1 17 17 ASN C C 17 175.417 175.417 175.555 -0.138 18214 4357 1 14 . 1 1 17 17 ASN CA C 17 53.690 53.690 52.731 0.959 18214 4358 1 14 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.975 -0.175 18214 4359 1 14 . 1 1 17 17 ASN H H 17 8.317 8.317 8.757 -0.440 18214 4360 1 14 . 1 1 18 18 GLU N N 18 120.842 120.842 116.722 4.120 18214 4361 1 14 . 1 1 18 18 GLU HA H 18 4.197 4.197 3.936 0.261 18214 4362 1 14 . 1 1 18 18 GLU C C 18 176.704 176.704 175.319 1.385 18214 4363 1 14 . 1 1 18 18 GLU CA C 18 56.770 56.770 57.026 -0.256 18214 4364 1 14 . 1 1 18 18 GLU CB C 18 30.100 30.100 27.558 2.542 18214 4365 1 14 . 1 1 18 18 GLU H H 18 8.407 8.407 8.169 0.238 18214 4366 1 14 . 1 1 19 19 THR N N 19 115.248 115.248 113.587 1.661 18214 4367 1 14 . 1 1 19 19 THR HA H 19 4.177 4.177 4.228 -0.051 18214 4368 1 14 . 1 1 19 19 THR C C 19 174.186 174.186 175.337 -1.151 18214 4369 1 14 . 1 1 19 19 THR CA C 19 62.250 62.250 63.321 -1.071 18214 4370 1 14 . 1 1 19 19 THR CB C 19 69.650 69.650 69.215 0.436 18214 4371 1 14 . 1 1 19 19 THR H H 19 8.074 8.074 7.733 0.341 18214 4372 1 14 . 1 1 20 20 LEU N N 20 124.826 124.826 125.931 -1.105 18214 4373 1 14 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.345 -0.081 18214 4374 1 14 . 1 1 20 20 LEU C C 20 176.698 176.698 177.230 -0.532 18214 4375 1 14 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.272 0.308 18214 4376 1 14 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.531 -0.421 18214 4377 1 14 . 1 1 20 20 LEU H H 20 8.074 8.074 8.217 -0.143 18214 4378 1 14 . 1 1 21 21 LEU N N 21 124.466 124.466 120.908 3.558 18214 4379 1 14 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.293 0.219 18214 4380 1 14 . 1 1 21 21 LEU CA C 21 52.580 52.580 54.260 -1.679 18214 4381 1 14 . 1 1 21 21 LEU CB C 21 41.860 41.860 40.918 0.942 18214 4382 1 14 . 1 1 21 21 LEU H H 21 8.088 8.088 8.252 -0.164 18214 4383 1 14 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.131 0.161 18214 4384 1 14 . 1 1 22 22 PRO C C 22 176.540 176.540 177.732 -1.192 18214 4385 1 14 . 1 1 22 22 PRO CA C 22 62.910 62.910 65.554 -2.644 18214 4386 1 14 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.168 -0.038 18214 4387 1 14 . 1 1 23 23 ALA N N 23 124.451 124.451 117.450 7.001 18214 4388 1 14 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.401 -0.243 18214 4389 1 14 . 1 1 23 23 ALA C C 23 177.005 177.005 175.654 1.351 18214 4390 1 14 . 1 1 23 23 ALA CA C 23 52.230 52.230 52.667 -0.437 18214 4391 1 14 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.223 0.087 18214 4392 1 14 . 1 1 23 23 ALA H H 23 8.314 8.314 7.878 0.436 18214 4393 1 14 . 1 1 24 24 ALA N N 24 121.792 121.792 121.353 0.439 18214 4394 1 14 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.632 -0.376 18214 4395 1 14 . 1 1 24 24 ALA C C 24 177.065 177.065 176.165 0.900 18214 4396 1 14 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.502 0.348 18214 4397 1 14 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.984 -0.684 18214 4398 1 14 . 1 1 24 24 ALA H H 24 7.994 7.994 7.953 0.041 18214 4399 1 14 . 1 1 25 25 GLU N N 25 120.287 120.287 121.015 -0.728 18214 4400 1 14 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.275 -0.149 18214 4401 1 14 . 1 1 25 25 GLU C C 25 176.233 176.233 176.234 -0.001 18214 4402 1 14 . 1 1 25 25 GLU CA C 25 56.810 56.810 56.113 0.697 18214 4403 1 14 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.408 0.832 18214 4404 1 14 . 1 1 25 25 GLU H H 25 8.404 8.404 8.655 -0.251 18214 4405 1 14 . 1 1 26 26 ARG N N 26 123.246 123.246 121.648 1.598 18214 4406 1 14 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.351 -0.016 18214 4407 1 14 . 1 1 26 26 ARG C C 26 174.514 174.514 175.106 -0.592 18214 4408 1 14 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.750 1.430 18214 4409 1 14 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.539 1.801 18214 4410 1 14 . 1 1 26 26 ARG H H 26 8.598 8.598 7.956 0.642 18214 4411 1 14 . 1 1 27 27 ARG N N 27 123.563 123.563 126.989 -3.426 18214 4412 1 14 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.618 0.826 18214 4413 1 14 . 1 1 27 27 ARG C C 27 175.308 175.308 176.314 -1.006 18214 4414 1 14 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.794 -1.624 18214 4415 1 14 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.452 5.048 18214 4416 1 14 . 1 1 27 27 ARG H H 27 8.230 8.230 8.257 -0.027 18214 4417 1 14 . 1 1 28 28 VAL N N 28 120.927 120.927 120.023 0.904 18214 4418 1 14 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.595 -0.160 18214 4419 1 14 . 1 1 28 28 VAL C C 28 173.178 173.178 175.309 -2.131 18214 4420 1 14 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.433 0.357 18214 4421 1 14 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.607 -0.097 18214 4422 1 14 . 1 1 28 28 VAL H H 28 9.062 9.062 8.513 0.549 18214 4423 1 14 . 1 1 29 29 ASN N N 29 124.526 124.526 121.093 3.433 18214 4424 1 14 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.759 0.394 18214 4425 1 14 . 1 1 29 29 ASN C C 29 177.848 177.848 177.469 0.379 18214 4426 1 14 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.784 -1.624 18214 4427 1 14 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.847 1.242 18214 4428 1 14 . 1 1 29 29 ASN H H 29 8.779 8.779 8.649 0.130 18214 4429 1 14 . 1 1 30 30 SER N N 30 123.081 123.081 116.953 6.128 18214 4430 1 14 . 1 1 30 30 SER HA H 30 3.730 3.730 4.089 -0.359 18214 4431 1 14 . 1 1 30 30 SER C C 30 175.833 175.833 176.279 -0.446 18214 4432 1 14 . 1 1 30 30 SER CA C 30 62.010 62.010 62.002 0.008 18214 4433 1 14 . 1 1 30 30 SER CB C 30 60.920 60.920 62.843 -1.923 18214 4434 1 14 . 1 1 30 30 SER H H 30 9.338 9.338 8.606 0.732 18214 4435 1 14 . 1 1 31 31 GLN N N 31 122.307 122.307 120.125 2.182 18214 4436 1 14 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.189 -0.156 18214 4437 1 14 . 1 1 31 31 GLN C C 31 177.569 177.569 176.581 0.988 18214 4438 1 14 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.014 0.736 18214 4439 1 14 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.034 -0.224 18214 4440 1 14 . 1 1 31 31 GLN H H 31 8.938 8.938 8.535 0.403 18214 4441 1 14 . 1 1 32 32 ALA N N 32 119.987 119.987 121.660 -1.673 18214 4442 1 14 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.623 -0.395 18214 4443 1 14 . 1 1 32 32 ALA C C 32 177.908 177.908 178.121 -0.213 18214 4444 1 14 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.939 2.071 18214 4445 1 14 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.925 -0.035 18214 4446 1 14 . 1 1 32 32 ALA H H 32 7.477 7.477 7.721 -0.244 18214 4447 1 14 . 1 1 33 33 LEU N N 33 117.867 117.867 117.272 0.595 18214 4448 1 14 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.958 0.164 18214 4449 1 14 . 1 1 33 33 LEU C C 33 176.348 176.348 176.508 -0.160 18214 4450 1 14 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.163 -0.883 18214 4451 1 14 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.018 2.652 18214 4452 1 14 . 1 1 33 33 LEU H H 33 7.269 7.269 7.445 -0.176 18214 4453 1 14 . 1 1 34 34 LEU N N 34 114.642 114.642 115.026 -0.384 18214 4454 1 14 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.569 -0.869 18214 4455 1 14 . 1 1 34 34 LEU C C 34 177.870 177.870 178.249 -0.379 18214 4456 1 14 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.337 1.062 18214 4457 1 14 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.627 -1.277 18214 4458 1 14 . 1 1 34 34 LEU H H 34 7.915 7.915 7.617 0.298 18214 4459 1 14 . 1 1 35 35 GLY N N 35 104.529 104.529 107.714 -3.185 18214 4460 1 14 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.347 -0.737 18214 4461 1 14 . 1 1 35 35 GLY H H 35 7.650 7.650 8.151 -0.501 18214 4462 1 14 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.440 -0.117 18214 4463 1 14 . 1 1 36 36 PRO C C 36 177.043 177.043 176.498 0.545 18214 4464 1 14 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.433 0.247 18214 4465 1 14 . 1 1 36 36 PRO CB C 36 31.560 31.560 32.061 -0.501 18214 4466 1 14 . 1 1 37 37 ASP N N 37 115.648 115.648 119.257 -3.609 18214 4467 1 14 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.642 -0.146 18214 4468 1 14 . 1 1 37 37 ASP C C 37 177.279 177.279 176.973 0.306 18214 4469 1 14 . 1 1 37 37 ASP CA C 37 53.210 53.210 55.141 -1.931 18214 4470 1 14 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.632 -1.442 18214 4471 1 14 . 1 1 37 37 ASP H H 37 8.500 8.500 7.796 0.704 18214 4472 1 14 . 1 1 38 38 GLY N N 38 107.249 107.249 106.466 0.783 18214 4473 1 14 . 1 1 38 38 GLY C C 38 172.445 172.445 173.781 -1.336 18214 4474 1 14 . 1 1 38 38 GLY CA C 38 47.120 47.120 46.171 0.949 18214 4475 1 14 . 1 1 38 38 GLY H H 38 8.084 8.084 8.334 -0.250 18214 4476 1 14 . 1 1 39 39 LYS N N 39 115.188 115.188 119.441 -4.253 18214 4477 1 14 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.115 0.274 18214 4478 1 14 . 1 1 39 39 LYS C C 39 175.182 175.182 175.309 -0.127 18214 4479 1 14 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.579 0.331 18214 4480 1 14 . 1 1 39 39 LYS CB C 39 36.880 36.880 31.930 4.950 18214 4481 1 14 . 1 1 39 39 LYS H H 39 7.244 7.244 7.727 -0.483 18214 4482 1 14 . 1 1 40 40 VAL N N 40 120.767 120.767 114.164 6.603 18214 4483 1 14 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.649 -0.287 18214 4484 1 14 . 1 1 40 40 VAL C C 40 171.344 171.344 174.136 -2.792 18214 4485 1 14 . 1 1 40 40 VAL CA C 40 61.340 61.340 58.716 2.624 18214 4486 1 14 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.664 -0.534 18214 4487 1 14 . 1 1 40 40 VAL H H 40 8.914 8.914 8.147 0.767 18214 4488 1 14 . 1 1 41 41 ILE N N 41 127.866 127.866 121.096 6.770 18214 4489 1 14 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.322 0.407 18214 4490 1 14 . 1 1 41 41 ILE C C 41 175.237 175.237 175.935 -0.698 18214 4491 1 14 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.914 -1.004 18214 4492 1 14 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.112 1.088 18214 4493 1 14 . 1 1 41 41 ILE H H 41 8.114 8.114 8.173 -0.059 18214 4494 1 14 . 1 1 42 42 ILE N N 42 126.986 126.986 128.688 -1.702 18214 4495 1 14 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.017 0.783 18214 4496 1 14 . 1 1 42 42 ILE C C 42 175.187 175.187 175.192 -0.005 18214 4497 1 14 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.858 -3.028 18214 4498 1 14 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.087 2.723 18214 4499 1 14 . 1 1 42 42 ILE H H 42 9.249 9.249 8.606 0.643 18214 4500 1 14 . 1 1 43 43 ASP N N 43 127.951 127.951 129.387 -1.436 18214 4501 1 14 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.573 0.398 18214 4502 1 14 . 1 1 43 43 ASP C C 43 175.505 175.505 174.432 1.073 18214 4503 1 14 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.875 0.095 18214 4504 1 14 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.284 -0.074 18214 4505 1 14 . 1 1 43 43 ASP H H 43 8.800 8.800 8.696 0.104 18214 4506 1 14 . 1 1 44 44 HIS N N 44 126.451 126.451 127.472 -1.021 18214 4507 1 14 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.879 0.317 18214 4508 1 14 . 1 1 44 44 HIS C C 44 174.492 174.492 174.291 0.201 18214 4509 1 14 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.227 -1.567 18214 4510 1 14 . 1 1 44 44 HIS CB C 44 33.900 33.900 30.952 2.948 18214 4511 1 14 . 1 1 44 44 HIS H H 44 9.194 9.194 8.107 1.087 18214 4512 1 14 . 1 1 45 45 ASN N N 45 126.311 126.311 126.539 -0.228 18214 4513 1 14 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.320 -0.180 18214 4514 1 14 . 1 1 45 45 ASN C C 45 174.892 174.892 175.137 -0.245 18214 4515 1 14 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.775 -0.115 18214 4516 1 14 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.471 -0.282 18214 4517 1 14 . 1 1 45 45 ASN H H 45 9.057 9.057 9.054 0.003 18214 4518 1 14 . 1 1 46 46 GLY N N 46 105.469 105.469 102.886 2.583 18214 4519 1 14 . 1 1 46 46 GLY C C 46 173.945 173.945 174.476 -0.531 18214 4520 1 14 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.276 0.164 18214 4521 1 14 . 1 1 46 46 GLY H H 46 8.686 8.686 8.600 0.086 18214 4522 1 14 . 1 1 47 47 GLN N N 47 120.007 120.007 123.131 -3.124 18214 4523 1 14 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.246 0.223 18214 4524 1 14 . 1 1 47 47 GLN C C 47 174.656 174.656 174.740 -0.084 18214 4525 1 14 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.170 -1.020 18214 4526 1 14 . 1 1 47 47 GLN CB C 47 31.070 31.070 28.764 2.306 18214 4527 1 14 . 1 1 47 47 GLN H H 47 7.841 7.841 7.753 0.088 18214 4528 1 14 . 1 1 48 48 GLU N N 48 123.081 123.081 123.728 -0.647 18214 4529 1 14 . 1 1 48 48 GLU HA H 48 4.739 4.739 4.899 -0.160 18214 4530 1 14 . 1 1 48 48 GLU C C 48 175.877 175.877 175.403 0.474 18214 4531 1 14 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.316 1.853 18214 4532 1 14 . 1 1 48 48 GLU CB C 48 30.730 30.730 31.732 -1.002 18214 4533 1 14 . 1 1 48 48 GLU H H 48 8.505 8.505 8.287 0.218 18214 4534 1 14 . 1 1 49 49 TYR N N 49 124.226 124.226 118.412 5.814 18214 4535 1 14 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.803 -0.043 18214 4536 1 14 . 1 1 49 49 TYR C C 49 174.098 174.098 174.290 -0.192 18214 4537 1 14 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.626 1.234 18214 4538 1 14 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.340 1.180 18214 4539 1 14 . 1 1 49 49 TYR H H 49 9.086 9.086 8.224 0.862 18214 4540 1 14 . 1 1 50 50 LEU N N 50 123.506 123.506 124.384 -0.878 18214 4541 1 14 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.476 0.365 18214 4542 1 14 . 1 1 50 50 LEU C C 50 174.459 174.459 174.690 -0.231 18214 4543 1 14 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.944 -1.105 18214 4544 1 14 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.818 1.112 18214 4545 1 14 . 1 1 50 50 LEU H H 50 9.147 9.147 8.681 0.466 18214 4546 1 14 . 1 1 51 51 LEU N N 51 129.785 129.785 129.358 0.427 18214 4547 1 14 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.210 0.023 18214 4548 1 14 . 1 1 51 51 LEU C C 51 174.246 174.246 174.193 0.053 18214 4549 1 14 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.063 -0.123 18214 4550 1 14 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.999 -1.109 18214 4551 1 14 . 1 1 51 51 LEU H H 51 8.803 8.803 8.806 -0.003 18214 4552 1 14 . 1 1 52 52 ARG N N 52 121.867 121.867 124.201 -2.334 18214 4553 1 14 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.198 0.094 18214 4554 1 14 . 1 1 52 52 ARG C C 52 173.561 173.561 175.472 -1.911 18214 4555 1 14 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.443 -0.223 18214 4556 1 14 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.216 1.344 18214 4557 1 14 . 1 1 52 52 ARG H H 52 8.740 8.740 8.660 0.080 18214 4558 1 14 . 1 1 53 53 LYS N N 53 118.467 118.467 127.511 -9.044 18214 4559 1 14 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.623 0.537 18214 4560 1 14 . 1 1 53 53 LYS C C 53 176.879 176.879 176.832 0.047 18214 4561 1 14 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.372 -2.712 18214 4562 1 14 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.790 2.010 18214 4563 1 14 . 1 1 53 53 LYS H H 53 7.912 7.912 8.261 -0.349 18214 4564 1 14 . 1 1 54 54 THR N N 54 114.428 114.428 118.052 -3.624 18214 4565 1 14 . 1 1 54 54 THR HA H 54 4.703 4.703 4.296 0.407 18214 4566 1 14 . 1 1 54 54 THR CA C 54 59.430 59.430 62.469 -3.039 18214 4567 1 14 . 1 1 54 54 THR CB C 54 71.730 71.730 70.123 1.607 18214 4568 1 14 . 1 1 54 54 THR H H 54 8.753 8.753 8.267 0.486 18214 4569 1 14 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.270 0.085 18214 4570 1 14 . 1 1 56 56 ALA C C 56 177.569 177.569 177.528 0.041 18214 4571 1 14 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.547 -0.517 18214 4572 1 14 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.817 0.083 18214 4573 1 14 . 1 1 57 57 GLY N N 57 106.509 106.509 105.068 1.441 18214 4574 1 14 . 1 1 57 57 GLY C C 57 174.678 174.678 173.687 0.991 18214 4575 1 14 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.676 0.924 18214 4576 1 14 . 1 1 57 57 GLY H H 57 7.961 7.961 7.787 0.174 18214 4577 1 14 . 1 1 58 58 LYS N N 58 118.787 118.787 118.631 0.156 18214 4578 1 14 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.649 -0.021 18214 4579 1 14 . 1 1 58 58 LYS C C 58 174.755 174.755 174.844 -0.089 18214 4580 1 14 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.181 0.479 18214 4581 1 14 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.585 -2.635 18214 4582 1 14 . 1 1 58 58 LYS H H 58 7.064 7.064 7.846 -0.782 18214 4583 1 14 . 1 1 59 59 LEU N N 59 117.082 117.082 119.925 -2.843 18214 4584 1 14 . 1 1 59 59 LEU HA H 59 4.780 4.780 4.883 -0.103 18214 4585 1 14 . 1 1 59 59 LEU C C 59 174.903 174.903 176.133 -1.230 18214 4586 1 14 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.677 -0.557 18214 4587 1 14 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.465 0.625 18214 4588 1 14 . 1 1 59 59 LEU H H 59 6.661 6.661 8.331 -1.670 18214 4589 1 14 . 1 1 60 60 LEU N N 60 121.360 121.360 126.495 -5.135 18214 4590 1 14 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.675 -0.320 18214 4591 1 14 . 1 1 60 60 LEU C C 60 174.005 174.005 174.552 -0.547 18214 4592 1 14 . 1 1 60 60 LEU CA C 60 53.830 53.830 53.880 -0.050 18214 4593 1 14 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.087 2.953 18214 4594 1 14 . 1 1 60 60 LEU H H 60 8.457 8.457 8.659 -0.202 18214 4595 1 14 . 1 1 61 61 LEU N N 61 127.886 127.886 129.556 -1.670 18214 4596 1 14 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.238 0.208 18214 4597 1 14 . 1 1 61 61 LEU C C 61 175.910 175.910 176.594 -0.684 18214 4598 1 14 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.939 -0.659 18214 4599 1 14 . 1 1 61 61 LEU CB C 61 45.970 45.970 42.548 3.422 18214 4600 1 14 . 1 1 61 61 LEU H H 61 8.556 8.556 8.712 -0.156 18214 4601 1 14 . 1 1 62 62 THR N N 62 120.607 120.607 119.499 1.108 18214 4602 1 14 . 1 1 62 62 THR HA H 62 4.749 4.749 4.650 0.099 18214 4603 1 14 . 1 1 62 62 THR C C 62 171.903 171.903 174.269 -2.366 18214 4604 1 14 . 1 1 62 62 THR CA C 62 60.240 60.240 60.774 -0.534 18214 4605 1 14 . 1 1 62 62 THR CB C 62 71.970 71.970 71.099 0.871 18214 4606 1 14 . 1 1 62 62 THR H H 62 9.281 9.281 9.073 0.208 18214 4607 1 15 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.591 -0.305 18214 4608 1 15 . 1 1 3 3 ARG C C 3 176.261 176.261 175.158 1.103 18214 4609 1 15 . 1 1 3 3 ARG CA C 3 56.230 56.230 55.343 0.887 18214 4610 1 15 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.093 0.667 18214 4611 1 15 . 1 1 4 4 MET N N 4 121.127 121.127 122.214 -1.087 18214 4612 1 15 . 1 1 4 4 MET HA H 4 4.392 4.392 4.728 -0.336 18214 4613 1 15 . 1 1 4 4 MET C C 4 175.779 175.779 175.672 0.107 18214 4614 1 15 . 1 1 4 4 MET CA C 4 55.440 55.440 54.698 0.742 18214 4615 1 15 . 1 1 4 4 MET CB C 4 32.820 32.820 32.627 0.193 18214 4616 1 15 . 1 1 4 4 MET H H 4 8.318 8.318 8.387 -0.069 18214 4617 1 15 . 1 1 5 5 ASP N N 5 121.087 121.087 124.940 -3.853 18214 4618 1 15 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.637 -0.115 18214 4619 1 15 . 1 1 5 5 ASP C C 5 175.850 175.850 175.666 0.184 18214 4620 1 15 . 1 1 5 5 ASP CA C 5 54.220 54.220 53.626 0.595 18214 4621 1 15 . 1 1 5 5 ASP CB C 5 41.200 41.200 40.670 0.530 18214 4622 1 15 . 1 1 5 5 ASP H H 5 8.247 8.247 8.624 -0.377 18214 4623 1 15 . 1 1 6 6 ASN N N 6 119.267 119.267 122.081 -2.814 18214 4624 1 15 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.673 -0.010 18214 4625 1 15 . 1 1 6 6 ASN C C 6 175.478 175.478 174.592 0.886 18214 4626 1 15 . 1 1 6 6 ASN CA C 6 53.370 53.370 54.015 -0.645 18214 4627 1 15 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.995 -0.475 18214 4628 1 15 . 1 1 6 6 ASN H H 6 8.320 8.320 8.764 -0.444 18214 4629 1 15 . 1 1 7 7 THR N N 7 114.228 114.228 115.013 -0.785 18214 4630 1 15 . 1 1 7 7 THR HA H 7 4.179 4.179 4.568 -0.389 18214 4631 1 15 . 1 1 7 7 THR C C 7 174.476 174.476 172.881 1.595 18214 4632 1 15 . 1 1 7 7 THR CA C 7 62.340 62.340 61.751 0.590 18214 4633 1 15 . 1 1 7 7 THR CB C 7 69.650 69.650 69.822 -0.172 18214 4634 1 15 . 1 1 7 7 THR H H 7 8.111 8.111 8.265 -0.154 18214 4635 1 15 . 1 1 8 8 GLU N N 8 122.962 122.962 124.136 -1.174 18214 4636 1 15 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.626 -0.403 18214 4637 1 15 . 1 1 8 8 GLU C C 8 176.020 176.020 175.866 0.154 18214 4638 1 15 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.461 0.769 18214 4639 1 15 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.326 -0.066 18214 4640 1 15 . 1 1 8 8 GLU H H 8 8.256 8.256 8.513 -0.257 18214 4641 1 15 . 1 1 9 9 LEU N N 9 124.766 124.766 119.274 5.492 18214 4642 1 15 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.729 -0.246 18214 4643 1 15 . 1 1 9 9 LEU CA C 9 53.170 53.170 52.888 0.282 18214 4644 1 15 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.696 -0.106 18214 4645 1 15 . 1 1 9 9 LEU H H 9 8.130 8.130 8.221 -0.091 18214 4646 1 15 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.374 -0.082 18214 4647 1 15 . 1 1 10 10 PRO C C 10 176.337 176.337 175.546 0.791 18214 4648 1 15 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.068 -0.218 18214 4649 1 15 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.074 -0.154 18214 4650 1 15 . 1 1 11 11 HIS N N 11 120.147 120.147 121.727 -1.580 18214 4651 1 15 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.760 0.065 18214 4652 1 15 . 1 1 11 11 HIS CA C 11 53.430 53.430 53.893 -0.463 18214 4653 1 15 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.593 -0.223 18214 4654 1 15 . 1 1 11 11 HIS H H 11 8.329 8.329 8.176 0.153 18214 4655 1 15 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.337 -0.010 18214 4656 1 15 . 1 1 12 12 PRO C C 12 176.731 176.731 176.216 0.515 18214 4657 1 15 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.055 0.135 18214 4658 1 15 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.353 -0.243 18214 4659 1 15 . 1 1 13 13 LYS N N 13 121.927 121.927 121.760 0.167 18214 4660 1 15 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.271 -0.070 18214 4661 1 15 . 1 1 13 13 LYS C C 13 176.622 176.622 176.657 -0.035 18214 4662 1 15 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.767 0.832 18214 4663 1 15 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.431 -0.411 18214 4664 1 15 . 1 1 13 13 LYS H H 13 8.472 8.472 8.143 0.329 18214 4665 1 15 . 1 1 14 14 GLU N N 14 122.532 122.532 121.744 0.788 18214 4666 1 15 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.318 -0.113 18214 4667 1 15 . 1 1 14 14 GLU C C 14 176.326 176.326 175.575 0.751 18214 4668 1 15 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.070 0.500 18214 4669 1 15 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.957 0.143 18214 4670 1 15 . 1 1 14 14 GLU H H 14 8.442 8.442 8.512 -0.070 18214 4671 1 15 . 1 1 15 15 ILE N N 15 121.207 121.207 123.378 -2.171 18214 4672 1 15 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.327 -0.260 18214 4673 1 15 . 1 1 15 15 ILE C C 15 175.680 175.680 175.515 0.165 18214 4674 1 15 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.146 -0.186 18214 4675 1 15 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.547 0.303 18214 4676 1 15 . 1 1 15 15 ILE H H 15 8.068 8.068 8.330 -0.262 18214 4677 1 15 . 1 1 16 16 ASP N N 16 124.246 124.246 127.130 -2.884 18214 4678 1 15 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.852 -0.328 18214 4679 1 15 . 1 1 16 16 ASP C C 16 175.965 175.965 175.577 0.388 18214 4680 1 15 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.114 0.436 18214 4681 1 15 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.696 -0.726 18214 4682 1 15 . 1 1 16 16 ASP H H 16 8.284 8.284 8.573 -0.289 18214 4683 1 15 . 1 1 17 17 ASN N N 17 119.667 119.667 119.459 0.208 18214 4684 1 15 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.765 -0.188 18214 4685 1 15 . 1 1 17 17 ASN C C 17 175.417 175.417 175.059 0.358 18214 4686 1 15 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.197 0.493 18214 4687 1 15 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.068 0.732 18214 4688 1 15 . 1 1 17 17 ASN H H 17 8.317 8.317 8.505 -0.188 18214 4689 1 15 . 1 1 18 18 GLU N N 18 120.842 120.842 123.407 -2.565 18214 4690 1 15 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.527 -0.330 18214 4691 1 15 . 1 1 18 18 GLU C C 18 176.704 176.704 175.897 0.807 18214 4692 1 15 . 1 1 18 18 GLU CA C 18 56.770 56.770 55.850 0.920 18214 4693 1 15 . 1 1 18 18 GLU CB C 18 30.100 30.100 30.656 -0.556 18214 4694 1 15 . 1 1 18 18 GLU H H 18 8.407 8.407 8.551 -0.144 18214 4695 1 15 . 1 1 19 19 THR N N 19 115.248 115.248 114.656 0.592 18214 4696 1 15 . 1 1 19 19 THR HA H 19 4.177 4.177 4.291 -0.114 18214 4697 1 15 . 1 1 19 19 THR C C 19 174.186 174.186 174.755 -0.569 18214 4698 1 15 . 1 1 19 19 THR CA C 19 62.250 62.250 63.172 -0.922 18214 4699 1 15 . 1 1 19 19 THR CB C 19 69.650 69.650 68.400 1.250 18214 4700 1 15 . 1 1 19 19 THR H H 19 8.074 8.074 8.084 -0.010 18214 4701 1 15 . 1 1 20 20 LEU N N 20 124.826 124.826 127.126 -2.300 18214 4702 1 15 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.661 -0.397 18214 4703 1 15 . 1 1 20 20 LEU C C 20 176.698 176.698 177.068 -0.370 18214 4704 1 15 . 1 1 20 20 LEU CA C 20 54.580 54.580 53.880 0.700 18214 4705 1 15 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.966 -0.856 18214 4706 1 15 . 1 1 20 20 LEU H H 20 8.074 8.074 8.601 -0.527 18214 4707 1 15 . 1 1 21 21 LEU N N 21 124.466 124.466 121.811 2.655 18214 4708 1 15 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.819 -0.307 18214 4709 1 15 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.419 0.162 18214 4710 1 15 . 1 1 21 21 LEU CB C 21 41.860 41.860 42.443 -0.583 18214 4711 1 15 . 1 1 21 21 LEU H H 21 8.088 8.088 8.281 -0.193 18214 4712 1 15 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.528 -0.236 18214 4713 1 15 . 1 1 22 22 PRO C C 22 176.540 176.540 177.102 -0.562 18214 4714 1 15 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.756 0.154 18214 4715 1 15 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.102 0.028 18214 4716 1 15 . 1 1 23 23 ALA N N 23 124.451 124.451 124.526 -0.075 18214 4717 1 15 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.024 0.134 18214 4718 1 15 . 1 1 23 23 ALA C C 23 177.005 177.005 176.312 0.693 18214 4719 1 15 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.244 -2.014 18214 4720 1 15 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.185 0.125 18214 4721 1 15 . 1 1 23 23 ALA H H 23 8.314 8.314 8.659 -0.345 18214 4722 1 15 . 1 1 24 24 ALA N N 24 121.792 121.792 120.473 1.319 18214 4723 1 15 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.448 -0.192 18214 4724 1 15 . 1 1 24 24 ALA C C 24 177.065 177.065 175.331 1.734 18214 4725 1 15 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.500 0.350 18214 4726 1 15 . 1 1 24 24 ALA CB C 24 20.300 20.300 19.815 0.485 18214 4727 1 15 . 1 1 24 24 ALA H H 24 7.994 7.994 7.734 0.260 18214 4728 1 15 . 1 1 25 25 GLU N N 25 120.287 120.287 123.264 -2.977 18214 4729 1 15 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.260 -0.134 18214 4730 1 15 . 1 1 25 25 GLU C C 25 176.233 176.233 175.449 0.784 18214 4731 1 15 . 1 1 25 25 GLU CA C 25 56.810 56.810 56.330 0.480 18214 4732 1 15 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.166 1.074 18214 4733 1 15 . 1 1 25 25 GLU H H 25 8.404 8.404 8.723 -0.319 18214 4734 1 15 . 1 1 26 26 ARG N N 26 123.246 123.246 126.352 -3.106 18214 4735 1 15 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.491 -0.156 18214 4736 1 15 . 1 1 26 26 ARG C C 26 174.514 174.514 174.778 -0.264 18214 4737 1 15 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.792 0.388 18214 4738 1 15 . 1 1 26 26 ARG CB C 26 31.340 31.340 32.175 -0.835 18214 4739 1 15 . 1 1 26 26 ARG H H 26 8.598 8.598 7.985 0.613 18214 4740 1 15 . 1 1 27 27 ARG N N 27 123.563 123.563 125.964 -2.401 18214 4741 1 15 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.438 1.006 18214 4742 1 15 . 1 1 27 27 ARG C C 27 175.308 175.308 176.338 -1.030 18214 4743 1 15 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.265 -2.095 18214 4744 1 15 . 1 1 27 27 ARG CB C 27 34.500 34.500 28.795 5.705 18214 4745 1 15 . 1 1 27 27 ARG H H 27 8.230 8.230 8.619 -0.389 18214 4746 1 15 . 1 1 28 28 VAL N N 28 120.927 120.927 120.535 0.392 18214 4747 1 15 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.521 -0.086 18214 4748 1 15 . 1 1 28 28 VAL C C 28 173.178 173.178 175.288 -2.110 18214 4749 1 15 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.335 0.455 18214 4750 1 15 . 1 1 28 28 VAL CB C 28 35.510 35.510 34.351 1.159 18214 4751 1 15 . 1 1 28 28 VAL H H 28 9.062 9.062 8.194 0.868 18214 4752 1 15 . 1 1 29 29 ASN N N 29 124.526 124.526 119.327 5.199 18214 4753 1 15 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.606 0.547 18214 4754 1 15 . 1 1 29 29 ASN C C 29 177.848 177.848 177.378 0.470 18214 4755 1 15 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.233 -1.073 18214 4756 1 15 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.487 1.603 18214 4757 1 15 . 1 1 29 29 ASN H H 29 8.779 8.779 8.560 0.219 18214 4758 1 15 . 1 1 30 30 SER N N 30 123.081 123.081 117.851 5.230 18214 4759 1 15 . 1 1 30 30 SER HA H 30 3.730 3.730 4.167 -0.437 18214 4760 1 15 . 1 1 30 30 SER C C 30 175.833 175.833 176.194 -0.361 18214 4761 1 15 . 1 1 30 30 SER CA C 30 62.010 62.010 61.290 0.720 18214 4762 1 15 . 1 1 30 30 SER CB C 30 60.920 60.920 62.947 -2.027 18214 4763 1 15 . 1 1 30 30 SER H H 30 9.338 9.338 8.456 0.882 18214 4764 1 15 . 1 1 31 31 GLN N N 31 122.307 122.307 120.196 2.111 18214 4765 1 15 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.159 -0.126 18214 4766 1 15 . 1 1 31 31 GLN C C 31 177.569 177.569 176.630 0.939 18214 4767 1 15 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.981 0.769 18214 4768 1 15 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.261 -0.451 18214 4769 1 15 . 1 1 31 31 GLN H H 31 8.938 8.938 8.707 0.231 18214 4770 1 15 . 1 1 32 32 ALA N N 32 119.987 119.987 120.848 -0.861 18214 4771 1 15 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.570 -0.342 18214 4772 1 15 . 1 1 32 32 ALA C C 32 177.908 177.908 178.153 -0.245 18214 4773 1 15 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.079 1.931 18214 4774 1 15 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.304 0.586 18214 4775 1 15 . 1 1 32 32 ALA H H 32 7.477 7.477 7.546 -0.069 18214 4776 1 15 . 1 1 33 33 LEU N N 33 117.867 117.867 116.822 1.045 18214 4777 1 15 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.011 0.111 18214 4778 1 15 . 1 1 33 33 LEU C C 33 176.348 176.348 176.848 -0.500 18214 4779 1 15 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.270 -0.990 18214 4780 1 15 . 1 1 33 33 LEU CB C 33 44.670 44.670 41.951 2.719 18214 4781 1 15 . 1 1 33 33 LEU H H 33 7.269 7.269 7.332 -0.063 18214 4782 1 15 . 1 1 34 34 LEU N N 34 114.642 114.642 114.829 -0.187 18214 4783 1 15 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.578 -0.878 18214 4784 1 15 . 1 1 34 34 LEU C C 34 177.870 177.870 178.242 -0.372 18214 4785 1 15 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.319 1.081 18214 4786 1 15 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.771 -1.421 18214 4787 1 15 . 1 1 34 34 LEU H H 34 7.915 7.915 7.673 0.242 18214 4788 1 15 . 1 1 35 35 GLY N N 35 104.529 104.529 107.854 -3.325 18214 4789 1 15 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.408 -0.798 18214 4790 1 15 . 1 1 35 35 GLY H H 35 7.650 7.650 8.181 -0.531 18214 4791 1 15 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.507 -0.184 18214 4792 1 15 . 1 1 36 36 PRO C C 36 177.043 177.043 176.431 0.612 18214 4793 1 15 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.124 0.556 18214 4794 1 15 . 1 1 36 36 PRO CB C 36 31.560 31.560 32.057 -0.497 18214 4795 1 15 . 1 1 37 37 ASP N N 37 115.648 115.648 119.642 -3.994 18214 4796 1 15 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.683 -0.187 18214 4797 1 15 . 1 1 37 37 ASP C C 37 177.279 177.279 177.350 -0.071 18214 4798 1 15 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.747 -1.537 18214 4799 1 15 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.628 -1.438 18214 4800 1 15 . 1 1 37 37 ASP H H 37 8.500 8.500 7.736 0.764 18214 4801 1 15 . 1 1 38 38 GLY N N 38 107.249 107.249 107.053 0.196 18214 4802 1 15 . 1 1 38 38 GLY C C 38 172.445 172.445 173.490 -1.045 18214 4803 1 15 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.775 1.345 18214 4804 1 15 . 1 1 38 38 GLY H H 38 8.084 8.084 8.370 -0.286 18214 4805 1 15 . 1 1 39 39 LYS N N 39 115.188 115.188 118.150 -2.962 18214 4806 1 15 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.189 0.200 18214 4807 1 15 . 1 1 39 39 LYS C C 39 175.182 175.182 174.762 0.420 18214 4808 1 15 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.190 -0.280 18214 4809 1 15 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.066 3.814 18214 4810 1 15 . 1 1 39 39 LYS H H 39 7.244 7.244 7.445 -0.201 18214 4811 1 15 . 1 1 40 40 VAL N N 40 120.767 120.767 114.498 6.269 18214 4812 1 15 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.897 -0.535 18214 4813 1 15 . 1 1 40 40 VAL C C 40 171.344 171.344 173.809 -2.465 18214 4814 1 15 . 1 1 40 40 VAL CA C 40 61.340 61.340 58.520 2.820 18214 4815 1 15 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.422 -0.292 18214 4816 1 15 . 1 1 40 40 VAL H H 40 8.914 8.914 8.057 0.857 18214 4817 1 15 . 1 1 41 41 ILE N N 41 127.866 127.866 119.954 7.912 18214 4818 1 15 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.521 0.208 18214 4819 1 15 . 1 1 41 41 ILE C C 41 175.237 175.237 176.231 -0.994 18214 4820 1 15 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.441 -0.532 18214 4821 1 15 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.708 0.492 18214 4822 1 15 . 1 1 41 41 ILE H H 41 8.114 8.114 8.012 0.102 18214 4823 1 15 . 1 1 42 42 ILE N N 42 126.986 126.986 129.251 -2.265 18214 4824 1 15 . 1 1 42 42 ILE HA H 42 4.800 4.800 3.988 0.812 18214 4825 1 15 . 1 1 42 42 ILE C C 42 175.187 175.187 174.528 0.659 18214 4826 1 15 . 1 1 42 42 ILE CA C 42 58.830 58.830 62.049 -3.219 18214 4827 1 15 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.920 1.890 18214 4828 1 15 . 1 1 42 42 ILE H H 42 9.249 9.249 9.003 0.246 18214 4829 1 15 . 1 1 43 43 ASP N N 43 127.951 127.951 128.338 -0.387 18214 4830 1 15 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.959 0.012 18214 4831 1 15 . 1 1 43 43 ASP C C 43 175.505 175.505 174.472 1.033 18214 4832 1 15 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.108 0.862 18214 4833 1 15 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.978 -0.768 18214 4834 1 15 . 1 1 43 43 ASP H H 43 8.800 8.800 8.519 0.281 18214 4835 1 15 . 1 1 44 44 HIS N N 44 126.451 126.451 126.122 0.329 18214 4836 1 15 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.854 0.342 18214 4837 1 15 . 1 1 44 44 HIS C C 44 174.492 174.492 175.062 -0.570 18214 4838 1 15 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.569 -0.909 18214 4839 1 15 . 1 1 44 44 HIS CB C 44 33.900 33.900 30.818 3.082 18214 4840 1 15 . 1 1 44 44 HIS H H 44 9.194 9.194 8.434 0.760 18214 4841 1 15 . 1 1 45 45 ASN N N 45 126.311 126.311 126.452 -0.141 18214 4842 1 15 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.363 -0.223 18214 4843 1 15 . 1 1 45 45 ASN C C 45 174.892 174.892 175.070 -0.178 18214 4844 1 15 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.575 0.085 18214 4845 1 15 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.693 -0.503 18214 4846 1 15 . 1 1 45 45 ASN H H 45 9.057 9.057 9.028 0.029 18214 4847 1 15 . 1 1 46 46 GLY N N 46 105.469 105.469 103.275 2.194 18214 4848 1 15 . 1 1 46 46 GLY C C 46 173.945 173.945 174.096 -0.151 18214 4849 1 15 . 1 1 46 46 GLY CA C 46 45.440 45.440 44.880 0.560 18214 4850 1 15 . 1 1 46 46 GLY H H 46 8.686 8.686 8.009 0.677 18214 4851 1 15 . 1 1 47 47 GLN N N 47 120.007 120.007 122.148 -2.141 18214 4852 1 15 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.185 0.284 18214 4853 1 15 . 1 1 47 47 GLN C C 47 174.656 174.656 175.024 -0.368 18214 4854 1 15 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.555 -0.405 18214 4855 1 15 . 1 1 47 47 GLN CB C 47 31.070 31.070 28.277 2.793 18214 4856 1 15 . 1 1 47 47 GLN H H 47 7.841 7.841 7.683 0.158 18214 4857 1 15 . 1 1 48 48 GLU N N 48 123.081 123.081 123.219 -0.138 18214 4858 1 15 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.377 -0.638 18214 4859 1 15 . 1 1 48 48 GLU C C 48 175.877 175.877 175.131 0.746 18214 4860 1 15 . 1 1 48 48 GLU CA C 48 56.170 56.170 53.988 2.182 18214 4861 1 15 . 1 1 48 48 GLU CB C 48 30.730 30.730 31.641 -0.911 18214 4862 1 15 . 1 1 48 48 GLU H H 48 8.505 8.505 8.309 0.196 18214 4863 1 15 . 1 1 49 49 TYR N N 49 124.226 124.226 119.998 4.228 18214 4864 1 15 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.704 0.056 18214 4865 1 15 . 1 1 49 49 TYR C C 49 174.098 174.098 174.189 -0.091 18214 4866 1 15 . 1 1 49 49 TYR CA C 49 56.860 56.860 56.112 0.748 18214 4867 1 15 . 1 1 49 49 TYR CB C 49 41.520 41.520 41.717 -0.197 18214 4868 1 15 . 1 1 49 49 TYR H H 49 9.086 9.086 8.566 0.520 18214 4869 1 15 . 1 1 50 50 LEU N N 50 123.506 123.506 125.621 -2.115 18214 4870 1 15 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.754 0.087 18214 4871 1 15 . 1 1 50 50 LEU C C 50 174.459 174.459 175.002 -0.543 18214 4872 1 15 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.606 -0.766 18214 4873 1 15 . 1 1 50 50 LEU CB C 50 43.930 43.930 41.968 1.962 18214 4874 1 15 . 1 1 50 50 LEU H H 50 9.147 9.147 8.653 0.494 18214 4875 1 15 . 1 1 51 51 LEU N N 51 129.785 129.785 130.083 -0.298 18214 4876 1 15 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.222 0.011 18214 4877 1 15 . 1 1 51 51 LEU C C 51 174.246 174.246 174.395 -0.149 18214 4878 1 15 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.174 -0.234 18214 4879 1 15 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.632 -0.742 18214 4880 1 15 . 1 1 51 51 LEU H H 51 8.803 8.803 8.537 0.266 18214 4881 1 15 . 1 1 52 52 ARG N N 52 121.867 121.867 123.084 -1.217 18214 4882 1 15 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.218 0.074 18214 4883 1 15 . 1 1 52 52 ARG C C 52 173.561 173.561 175.289 -1.728 18214 4884 1 15 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.796 -0.576 18214 4885 1 15 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.467 1.093 18214 4886 1 15 . 1 1 52 52 ARG H H 52 8.740 8.740 8.507 0.233 18214 4887 1 15 . 1 1 53 53 LYS N N 53 118.467 118.467 127.028 -8.561 18214 4888 1 15 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.708 0.452 18214 4889 1 15 . 1 1 53 53 LYS C C 53 176.879 176.879 176.797 0.082 18214 4890 1 15 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.097 -2.437 18214 4891 1 15 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.861 1.939 18214 4892 1 15 . 1 1 53 53 LYS H H 53 7.912 7.912 8.434 -0.522 18214 4893 1 15 . 1 1 54 54 THR N N 54 114.428 114.428 118.064 -3.636 18214 4894 1 15 . 1 1 54 54 THR HA H 54 4.703 4.703 4.289 0.414 18214 4895 1 15 . 1 1 54 54 THR CA C 54 59.430 59.430 62.230 -2.800 18214 4896 1 15 . 1 1 54 54 THR CB C 54 71.730 71.730 70.560 1.170 18214 4897 1 15 . 1 1 54 54 THR H H 54 8.753 8.753 8.325 0.428 18214 4898 1 15 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.281 0.074 18214 4899 1 15 . 1 1 56 56 ALA C C 56 177.569 177.569 178.045 -0.476 18214 4900 1 15 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.985 0.045 18214 4901 1 15 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.828 0.072 18214 4902 1 15 . 1 1 57 57 GLY N N 57 106.509 106.509 106.703 -0.194 18214 4903 1 15 . 1 1 57 57 GLY C C 57 174.678 174.678 174.025 0.653 18214 4904 1 15 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.182 0.418 18214 4905 1 15 . 1 1 57 57 GLY H H 57 7.961 7.961 7.903 0.058 18214 4906 1 15 . 1 1 58 58 LYS N N 58 118.787 118.787 118.599 0.188 18214 4907 1 15 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.654 -0.026 18214 4908 1 15 . 1 1 58 58 LYS C C 58 174.755 174.755 174.955 -0.200 18214 4909 1 15 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.207 0.453 18214 4910 1 15 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.423 -2.473 18214 4911 1 15 . 1 1 58 58 LYS H H 58 7.064 7.064 7.839 -0.775 18214 4912 1 15 . 1 1 59 59 LEU N N 59 117.082 117.082 119.767 -2.685 18214 4913 1 15 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.111 -0.331 18214 4914 1 15 . 1 1 59 59 LEU C C 59 174.903 174.903 176.012 -1.109 18214 4915 1 15 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.430 -0.310 18214 4916 1 15 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.198 -0.108 18214 4917 1 15 . 1 1 59 59 LEU H H 59 6.661 6.661 8.286 -1.625 18214 4918 1 15 . 1 1 60 60 LEU N N 60 121.360 121.360 125.410 -4.050 18214 4919 1 15 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.639 -0.284 18214 4920 1 15 . 1 1 60 60 LEU C C 60 174.005 174.005 174.575 -0.570 18214 4921 1 15 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.334 -0.504 18214 4922 1 15 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.934 2.107 18214 4923 1 15 . 1 1 60 60 LEU H H 60 8.457 8.457 8.486 -0.029 18214 4924 1 15 . 1 1 61 61 LEU N N 61 127.886 127.886 129.671 -1.785 18214 4925 1 15 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.595 0.851 18214 4926 1 15 . 1 1 61 61 LEU C C 61 175.910 175.910 176.081 -0.171 18214 4927 1 15 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.037 -0.757 18214 4928 1 15 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.129 4.841 18214 4929 1 15 . 1 1 61 61 LEU H H 61 8.556 8.556 8.671 -0.115 18214 4930 1 15 . 1 1 62 62 THR N N 62 120.607 120.607 119.061 1.546 18214 4931 1 15 . 1 1 62 62 THR HA H 62 4.749 4.749 4.696 0.053 18214 4932 1 15 . 1 1 62 62 THR C C 62 171.903 171.903 173.240 -1.337 18214 4933 1 15 . 1 1 62 62 THR CA C 62 60.240 60.240 60.878 -0.638 18214 4934 1 15 . 1 1 62 62 THR CB C 62 71.970 71.970 71.421 0.549 18214 4935 1 15 . 1 1 62 62 THR H H 62 9.281 9.281 8.849 0.432 18214 4936 1 16 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.679 -0.394 18214 4937 1 16 . 1 1 3 3 ARG C C 3 176.261 176.261 176.115 0.146 18214 4938 1 16 . 1 1 3 3 ARG CA C 3 56.230 56.230 57.000 -0.770 18214 4939 1 16 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.332 0.428 18214 4940 1 16 . 1 1 4 4 MET N N 4 121.127 121.127 119.148 1.979 18214 4941 1 16 . 1 1 4 4 MET HA H 4 4.392 4.392 4.715 -0.323 18214 4942 1 16 . 1 1 4 4 MET C C 4 175.779 175.779 174.819 0.960 18214 4943 1 16 . 1 1 4 4 MET CA C 4 55.440 55.440 54.262 1.178 18214 4944 1 16 . 1 1 4 4 MET CB C 4 32.820 32.820 34.519 -1.699 18214 4945 1 16 . 1 1 4 4 MET H H 4 8.318 8.318 7.650 0.668 18214 4946 1 16 . 1 1 5 5 ASP N N 5 121.087 121.087 121.895 -0.808 18214 4947 1 16 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.628 -0.106 18214 4948 1 16 . 1 1 5 5 ASP C C 5 175.850 175.850 176.198 -0.348 18214 4949 1 16 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.011 0.209 18214 4950 1 16 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.795 -0.595 18214 4951 1 16 . 1 1 5 5 ASP H H 5 8.247 8.247 8.341 -0.094 18214 4952 1 16 . 1 1 6 6 ASN N N 6 119.267 119.267 122.300 -3.033 18214 4953 1 16 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.740 -0.076 18214 4954 1 16 . 1 1 6 6 ASN C C 6 175.478 175.478 174.730 0.748 18214 4955 1 16 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.739 -0.368 18214 4956 1 16 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.553 -0.033 18214 4957 1 16 . 1 1 6 6 ASN H H 6 8.320 8.320 8.641 -0.321 18214 4958 1 16 . 1 1 7 7 THR N N 7 114.228 114.228 116.254 -2.026 18214 4959 1 16 . 1 1 7 7 THR HA H 7 4.179 4.179 4.548 -0.369 18214 4960 1 16 . 1 1 7 7 THR C C 7 174.476 174.476 172.572 1.904 18214 4961 1 16 . 1 1 7 7 THR CA C 7 62.340 62.340 62.483 -0.143 18214 4962 1 16 . 1 1 7 7 THR CB C 7 69.650 69.650 69.820 -0.170 18214 4963 1 16 . 1 1 7 7 THR H H 7 8.111 8.111 8.143 -0.032 18214 4964 1 16 . 1 1 8 8 GLU N N 8 122.962 122.962 123.456 -0.494 18214 4965 1 16 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.636 -0.413 18214 4966 1 16 . 1 1 8 8 GLU C C 8 176.020 176.020 175.120 0.900 18214 4967 1 16 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.001 0.229 18214 4968 1 16 . 1 1 8 8 GLU CB C 8 30.260 30.260 31.457 -1.197 18214 4969 1 16 . 1 1 8 8 GLU H H 8 8.256 8.256 8.604 -0.348 18214 4970 1 16 . 1 1 9 9 LEU N N 9 124.766 124.766 124.468 0.298 18214 4971 1 16 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.452 0.031 18214 4972 1 16 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.496 -0.326 18214 4973 1 16 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.324 0.266 18214 4974 1 16 . 1 1 9 9 LEU H H 9 8.130 8.130 8.273 -0.143 18214 4975 1 16 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.508 -0.216 18214 4976 1 16 . 1 1 10 10 PRO C C 10 176.337 176.337 175.954 0.383 18214 4977 1 16 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.637 0.213 18214 4978 1 16 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.332 -0.412 18214 4979 1 16 . 1 1 11 11 HIS N N 11 120.147 120.147 120.963 -0.816 18214 4980 1 16 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.691 0.134 18214 4981 1 16 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.847 -1.417 18214 4982 1 16 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.498 -0.128 18214 4983 1 16 . 1 1 11 11 HIS H H 11 8.329 8.329 8.515 -0.186 18214 4984 1 16 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.450 -0.123 18214 4985 1 16 . 1 1 12 12 PRO C C 12 176.731 176.731 176.464 0.267 18214 4986 1 16 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.693 0.497 18214 4987 1 16 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.605 -0.495 18214 4988 1 16 . 1 1 13 13 LYS N N 13 121.927 121.927 123.540 -1.613 18214 4989 1 16 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.288 -0.087 18214 4990 1 16 . 1 1 13 13 LYS C C 13 176.622 176.622 176.470 0.152 18214 4991 1 16 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.361 0.239 18214 4992 1 16 . 1 1 13 13 LYS CB C 13 33.020 33.020 32.897 0.123 18214 4993 1 16 . 1 1 13 13 LYS H H 13 8.472 8.472 8.408 0.064 18214 4994 1 16 . 1 1 14 14 GLU N N 14 122.532 122.532 123.751 -1.219 18214 4995 1 16 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.406 -0.201 18214 4996 1 16 . 1 1 14 14 GLU C C 14 176.326 176.326 176.200 0.126 18214 4997 1 16 . 1 1 14 14 GLU CA C 14 56.570 56.570 55.615 0.955 18214 4998 1 16 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.455 -0.355 18214 4999 1 16 . 1 1 14 14 GLU H H 14 8.442 8.442 8.567 -0.125 18214 5000 1 16 . 1 1 15 15 ILE N N 15 121.207 121.207 123.893 -2.686 18214 5001 1 16 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.116 -0.049 18214 5002 1 16 . 1 1 15 15 ILE C C 15 175.680 175.680 175.764 -0.084 18214 5003 1 16 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.515 -0.555 18214 5004 1 16 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.115 0.735 18214 5005 1 16 . 1 1 15 15 ILE H H 15 8.068 8.068 8.529 -0.461 18214 5006 1 16 . 1 1 16 16 ASP N N 16 124.246 124.246 126.866 -2.620 18214 5007 1 16 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.931 -0.407 18214 5008 1 16 . 1 1 16 16 ASP C C 16 175.965 175.965 175.374 0.591 18214 5009 1 16 . 1 1 16 16 ASP CA C 16 54.550 54.550 53.025 1.525 18214 5010 1 16 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.118 -0.148 18214 5011 1 16 . 1 1 16 16 ASP H H 16 8.284 8.284 8.702 -0.418 18214 5012 1 16 . 1 1 17 17 ASN N N 17 119.667 119.667 119.447 0.220 18214 5013 1 16 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.539 0.038 18214 5014 1 16 . 1 1 17 17 ASN C C 17 175.417 175.417 175.730 -0.313 18214 5015 1 16 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.841 -0.151 18214 5016 1 16 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.714 0.086 18214 5017 1 16 . 1 1 17 17 ASN H H 17 8.317 8.317 8.464 -0.147 18214 5018 1 16 . 1 1 18 18 GLU N N 18 120.842 120.842 120.248 0.594 18214 5019 1 16 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.282 -0.085 18214 5020 1 16 . 1 1 18 18 GLU C C 18 176.704 176.704 176.000 0.704 18214 5021 1 16 . 1 1 18 18 GLU CA C 18 56.770 56.770 57.357 -0.587 18214 5022 1 16 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.829 0.271 18214 5023 1 16 . 1 1 18 18 GLU H H 18 8.407 8.407 7.979 0.428 18214 5024 1 16 . 1 1 19 19 THR N N 19 115.248 115.248 116.364 -1.116 18214 5025 1 16 . 1 1 19 19 THR HA H 19 4.177 4.177 4.423 -0.246 18214 5026 1 16 . 1 1 19 19 THR C C 19 174.186 174.186 173.651 0.535 18214 5027 1 16 . 1 1 19 19 THR CA C 19 62.250 62.250 61.039 1.211 18214 5028 1 16 . 1 1 19 19 THR CB C 19 69.650 69.650 69.876 -0.226 18214 5029 1 16 . 1 1 19 19 THR H H 19 8.074 8.074 8.161 -0.087 18214 5030 1 16 . 1 1 20 20 LEU N N 20 124.826 124.826 124.432 0.394 18214 5031 1 16 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.579 -0.315 18214 5032 1 16 . 1 1 20 20 LEU C C 20 176.698 176.698 176.440 0.258 18214 5033 1 16 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.582 -0.002 18214 5034 1 16 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.679 -0.569 18214 5035 1 16 . 1 1 20 20 LEU H H 20 8.074 8.074 8.316 -0.242 18214 5036 1 16 . 1 1 21 21 LEU N N 21 124.466 124.466 124.212 0.254 18214 5037 1 16 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.731 -0.219 18214 5038 1 16 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.365 -0.785 18214 5039 1 16 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.303 0.557 18214 5040 1 16 . 1 1 21 21 LEU H H 21 8.088 8.088 8.437 -0.349 18214 5041 1 16 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.313 -0.021 18214 5042 1 16 . 1 1 22 22 PRO C C 22 176.540 176.540 177.088 -0.548 18214 5043 1 16 . 1 1 22 22 PRO CA C 22 62.910 62.910 64.251 -1.341 18214 5044 1 16 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.344 -0.214 18214 5045 1 16 . 1 1 23 23 ALA N N 23 124.451 124.451 117.980 6.471 18214 5046 1 16 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.275 -0.117 18214 5047 1 16 . 1 1 23 23 ALA C C 23 177.005 177.005 175.363 1.642 18214 5048 1 16 . 1 1 23 23 ALA CA C 23 52.230 52.230 52.442 -0.212 18214 5049 1 16 . 1 1 23 23 ALA CB C 23 19.310 19.310 18.892 0.418 18214 5050 1 16 . 1 1 23 23 ALA H H 23 8.314 8.314 8.099 0.215 18214 5051 1 16 . 1 1 24 24 ALA N N 24 121.792 121.792 121.996 -0.204 18214 5052 1 16 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.603 -0.347 18214 5053 1 16 . 1 1 24 24 ALA C C 24 177.065 177.065 175.079 1.986 18214 5054 1 16 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.924 -0.074 18214 5055 1 16 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.376 -0.076 18214 5056 1 16 . 1 1 24 24 ALA H H 24 7.994 7.994 7.706 0.288 18214 5057 1 16 . 1 1 25 25 GLU N N 25 120.287 120.287 124.685 -4.398 18214 5058 1 16 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.175 -0.049 18214 5059 1 16 . 1 1 25 25 GLU C C 25 176.233 176.233 175.737 0.496 18214 5060 1 16 . 1 1 25 25 GLU CA C 25 56.810 56.810 56.780 0.030 18214 5061 1 16 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.434 0.806 18214 5062 1 16 . 1 1 25 25 GLU H H 25 8.404 8.404 8.746 -0.342 18214 5063 1 16 . 1 1 26 26 ARG N N 26 123.246 123.246 125.878 -2.632 18214 5064 1 16 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.554 -0.219 18214 5065 1 16 . 1 1 26 26 ARG C C 26 174.514 174.514 174.601 -0.087 18214 5066 1 16 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.902 1.278 18214 5067 1 16 . 1 1 26 26 ARG CB C 26 31.340 31.340 31.516 -0.176 18214 5068 1 16 . 1 1 26 26 ARG H H 26 8.598 8.598 7.884 0.714 18214 5069 1 16 . 1 1 27 27 ARG N N 27 123.563 123.563 126.049 -2.486 18214 5070 1 16 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.551 0.893 18214 5071 1 16 . 1 1 27 27 ARG C C 27 175.308 175.308 176.112 -0.804 18214 5072 1 16 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.058 -1.888 18214 5073 1 16 . 1 1 27 27 ARG CB C 27 34.500 34.500 28.997 5.503 18214 5074 1 16 . 1 1 27 27 ARG H H 27 8.230 8.230 8.606 -0.376 18214 5075 1 16 . 1 1 28 28 VAL N N 28 120.927 120.927 118.967 1.960 18214 5076 1 16 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.581 -0.146 18214 5077 1 16 . 1 1 28 28 VAL C C 28 173.178 173.178 174.972 -1.794 18214 5078 1 16 . 1 1 28 28 VAL CA C 28 59.790 59.790 58.814 0.976 18214 5079 1 16 . 1 1 28 28 VAL CB C 28 35.510 35.510 36.004 -0.494 18214 5080 1 16 . 1 1 28 28 VAL H H 28 9.062 9.062 8.216 0.846 18214 5081 1 16 . 1 1 29 29 ASN N N 29 124.526 124.526 121.143 3.383 18214 5082 1 16 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.770 0.383 18214 5083 1 16 . 1 1 29 29 ASN C C 29 177.848 177.848 177.020 0.828 18214 5084 1 16 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.480 -0.320 18214 5085 1 16 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.466 1.624 18214 5086 1 16 . 1 1 29 29 ASN H H 29 8.779 8.779 8.536 0.243 18214 5087 1 16 . 1 1 30 30 SER N N 30 123.081 123.081 115.470 7.611 18214 5088 1 16 . 1 1 30 30 SER HA H 30 3.730 3.730 4.114 -0.384 18214 5089 1 16 . 1 1 30 30 SER C C 30 175.833 175.833 176.555 -0.722 18214 5090 1 16 . 1 1 30 30 SER CA C 30 62.010 62.010 60.814 1.196 18214 5091 1 16 . 1 1 30 30 SER CB C 30 60.920 60.920 63.084 -2.164 18214 5092 1 16 . 1 1 30 30 SER H H 30 9.338 9.338 8.420 0.918 18214 5093 1 16 . 1 1 31 31 GLN N N 31 122.307 122.307 120.378 1.929 18214 5094 1 16 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.172 -0.139 18214 5095 1 16 . 1 1 31 31 GLN C C 31 177.569 177.569 176.542 1.027 18214 5096 1 16 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.277 0.473 18214 5097 1 16 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.553 -0.743 18214 5098 1 16 . 1 1 31 31 GLN H H 31 8.938 8.938 8.616 0.322 18214 5099 1 16 . 1 1 32 32 ALA N N 32 119.987 119.987 120.891 -0.904 18214 5100 1 16 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.579 -0.351 18214 5101 1 16 . 1 1 32 32 ALA C C 32 177.908 177.908 178.000 -0.092 18214 5102 1 16 . 1 1 32 32 ALA CA C 32 53.010 53.010 51.053 1.958 18214 5103 1 16 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.472 0.418 18214 5104 1 16 . 1 1 32 32 ALA H H 32 7.477 7.477 7.753 -0.276 18214 5105 1 16 . 1 1 33 33 LEU N N 33 117.867 117.867 116.979 0.888 18214 5106 1 16 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.992 0.130 18214 5107 1 16 . 1 1 33 33 LEU C C 33 176.348 176.348 176.579 -0.231 18214 5108 1 16 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.121 -0.841 18214 5109 1 16 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.072 2.598 18214 5110 1 16 . 1 1 33 33 LEU H H 33 7.269 7.269 7.328 -0.059 18214 5111 1 16 . 1 1 34 34 LEU N N 34 114.642 114.642 113.756 0.886 18214 5112 1 16 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.615 -0.915 18214 5113 1 16 . 1 1 34 34 LEU C C 34 177.870 177.870 177.791 0.079 18214 5114 1 16 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.103 1.297 18214 5115 1 16 . 1 1 34 34 LEU CB C 34 42.350 42.350 44.314 -1.964 18214 5116 1 16 . 1 1 34 34 LEU H H 34 7.915 7.915 7.644 0.271 18214 5117 1 16 . 1 1 35 35 GLY N N 35 104.529 104.529 107.907 -3.378 18214 5118 1 16 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.288 -0.678 18214 5119 1 16 . 1 1 35 35 GLY H H 35 7.650 7.650 8.068 -0.418 18214 5120 1 16 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.449 -0.126 18214 5121 1 16 . 1 1 36 36 PRO C C 36 177.043 177.043 176.383 0.660 18214 5122 1 16 . 1 1 36 36 PRO CA C 36 64.680 64.680 63.988 0.692 18214 5123 1 16 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.938 -0.378 18214 5124 1 16 . 1 1 37 37 ASP N N 37 115.648 115.648 119.365 -3.717 18214 5125 1 16 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.507 -0.011 18214 5126 1 16 . 1 1 37 37 ASP C C 37 177.279 177.279 177.547 -0.268 18214 5127 1 16 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.365 -1.155 18214 5128 1 16 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.576 -1.386 18214 5129 1 16 . 1 1 37 37 ASP H H 37 8.500 8.500 7.772 0.728 18214 5130 1 16 . 1 1 38 38 GLY N N 38 107.249 107.249 107.571 -0.322 18214 5131 1 16 . 1 1 38 38 GLY C C 38 172.445 172.445 173.144 -0.699 18214 5132 1 16 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.724 1.397 18214 5133 1 16 . 1 1 38 38 GLY H H 38 8.084 8.084 8.315 -0.231 18214 5134 1 16 . 1 1 39 39 LYS N N 39 115.188 115.188 118.369 -3.181 18214 5135 1 16 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.225 0.164 18214 5136 1 16 . 1 1 39 39 LYS C C 39 175.182 175.182 175.474 -0.292 18214 5137 1 16 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.036 -0.126 18214 5138 1 16 . 1 1 39 39 LYS CB C 39 36.880 36.880 32.757 4.123 18214 5139 1 16 . 1 1 39 39 LYS H H 39 7.244 7.244 7.257 -0.013 18214 5140 1 16 . 1 1 40 40 VAL N N 40 120.767 120.767 117.066 3.701 18214 5141 1 16 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.664 -0.302 18214 5142 1 16 . 1 1 40 40 VAL C C 40 171.344 171.344 173.988 -2.644 18214 5143 1 16 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.006 2.334 18214 5144 1 16 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.934 -0.804 18214 5145 1 16 . 1 1 40 40 VAL H H 40 8.914 8.914 8.300 0.614 18214 5146 1 16 . 1 1 41 41 ILE N N 41 127.866 127.866 119.899 7.967 18214 5147 1 16 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.423 0.306 18214 5148 1 16 . 1 1 41 41 ILE C C 41 175.237 175.237 175.426 -0.189 18214 5149 1 16 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.305 -0.395 18214 5150 1 16 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.726 0.474 18214 5151 1 16 . 1 1 41 41 ILE H H 41 8.114 8.114 7.969 0.145 18214 5152 1 16 . 1 1 42 42 ILE N N 42 126.986 126.986 129.105 -2.119 18214 5153 1 16 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.371 0.429 18214 5154 1 16 . 1 1 42 42 ILE C C 42 175.187 175.187 174.838 0.349 18214 5155 1 16 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.606 -1.776 18214 5156 1 16 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.906 1.904 18214 5157 1 16 . 1 1 42 42 ILE H H 42 9.249 9.249 8.742 0.507 18214 5158 1 16 . 1 1 43 43 ASP N N 43 127.951 127.951 128.960 -1.009 18214 5159 1 16 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.893 0.078 18214 5160 1 16 . 1 1 43 43 ASP C C 43 175.505 175.505 174.573 0.932 18214 5161 1 16 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.519 0.451 18214 5162 1 16 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.628 -0.418 18214 5163 1 16 . 1 1 43 43 ASP H H 43 8.800 8.800 8.609 0.191 18214 5164 1 16 . 1 1 44 44 HIS N N 44 126.451 126.451 126.766 -0.315 18214 5165 1 16 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.883 0.313 18214 5166 1 16 . 1 1 44 44 HIS C C 44 174.492 174.492 174.469 0.023 18214 5167 1 16 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.544 -0.884 18214 5168 1 16 . 1 1 44 44 HIS CB C 44 33.900 33.900 31.088 2.812 18214 5169 1 16 . 1 1 44 44 HIS H H 44 9.194 9.194 8.529 0.665 18214 5170 1 16 . 1 1 45 45 ASN N N 45 126.311 126.311 125.791 0.520 18214 5171 1 16 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.271 -0.131 18214 5172 1 16 . 1 1 45 45 ASN C C 45 174.892 174.892 175.049 -0.157 18214 5173 1 16 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.897 -0.237 18214 5174 1 16 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.660 -0.470 18214 5175 1 16 . 1 1 45 45 ASN H H 45 9.057 9.057 9.192 -0.135 18214 5176 1 16 . 1 1 46 46 GLY N N 46 105.469 105.469 104.203 1.266 18214 5177 1 16 . 1 1 46 46 GLY C C 46 173.945 173.945 174.258 -0.313 18214 5178 1 16 . 1 1 46 46 GLY CA C 46 45.440 45.440 44.927 0.513 18214 5179 1 16 . 1 1 46 46 GLY H H 46 8.686 8.686 8.602 0.084 18214 5180 1 16 . 1 1 47 47 GLN N N 47 120.007 120.007 121.027 -1.020 18214 5181 1 16 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.330 0.139 18214 5182 1 16 . 1 1 47 47 GLN C C 47 174.656 174.656 174.338 0.318 18214 5183 1 16 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.494 -1.344 18214 5184 1 16 . 1 1 47 47 GLN CB C 47 31.070 31.070 29.905 1.165 18214 5185 1 16 . 1 1 47 47 GLN H H 47 7.841 7.841 7.868 -0.027 18214 5186 1 16 . 1 1 48 48 GLU N N 48 123.081 123.081 119.146 3.935 18214 5187 1 16 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.300 -0.561 18214 5188 1 16 . 1 1 48 48 GLU C C 48 175.877 175.877 175.048 0.829 18214 5189 1 16 . 1 1 48 48 GLU CA C 48 56.170 56.170 53.904 2.266 18214 5190 1 16 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.948 -2.218 18214 5191 1 16 . 1 1 48 48 GLU H H 48 8.505 8.505 8.268 0.237 18214 5192 1 16 . 1 1 49 49 TYR N N 49 124.226 124.226 120.070 4.156 18214 5193 1 16 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.733 0.027 18214 5194 1 16 . 1 1 49 49 TYR C C 49 174.098 174.098 174.935 -0.837 18214 5195 1 16 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.995 0.865 18214 5196 1 16 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.327 1.194 18214 5197 1 16 . 1 1 49 49 TYR H H 49 9.086 9.086 8.492 0.594 18214 5198 1 16 . 1 1 50 50 LEU N N 50 123.506 123.506 126.728 -3.222 18214 5199 1 16 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.735 0.106 18214 5200 1 16 . 1 1 50 50 LEU C C 50 174.459 174.459 174.968 -0.509 18214 5201 1 16 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.950 -1.111 18214 5202 1 16 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.117 1.813 18214 5203 1 16 . 1 1 50 50 LEU H H 50 9.147 9.147 8.783 0.364 18214 5204 1 16 . 1 1 51 51 LEU N N 51 129.785 129.785 130.217 -0.432 18214 5205 1 16 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.221 0.012 18214 5206 1 16 . 1 1 51 51 LEU C C 51 174.246 174.246 174.280 -0.034 18214 5207 1 16 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.988 -0.048 18214 5208 1 16 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.453 -0.563 18214 5209 1 16 . 1 1 51 51 LEU H H 51 8.803 8.803 8.744 0.059 18214 5210 1 16 . 1 1 52 52 ARG N N 52 121.867 121.867 124.874 -3.007 18214 5211 1 16 . 1 1 52 52 ARG HA H 52 5.292 5.292 4.904 0.388 18214 5212 1 16 . 1 1 52 52 ARG C C 52 173.561 173.561 175.390 -1.829 18214 5213 1 16 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.577 -0.357 18214 5214 1 16 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.066 1.494 18214 5215 1 16 . 1 1 52 52 ARG H H 52 8.740 8.740 8.596 0.144 18214 5216 1 16 . 1 1 53 53 LYS N N 53 118.467 118.467 127.247 -8.780 18214 5217 1 16 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.686 0.474 18214 5218 1 16 . 1 1 53 53 LYS C C 53 176.879 176.879 176.565 0.314 18214 5219 1 16 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.264 -2.604 18214 5220 1 16 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.787 2.013 18214 5221 1 16 . 1 1 53 53 LYS H H 53 7.912 7.912 8.124 -0.212 18214 5222 1 16 . 1 1 54 54 THR N N 54 114.428 114.428 116.634 -2.206 18214 5223 1 16 . 1 1 54 54 THR HA H 54 4.703 4.703 4.356 0.347 18214 5224 1 16 . 1 1 54 54 THR CA C 54 59.430 59.430 61.422 -1.992 18214 5225 1 16 . 1 1 54 54 THR CB C 54 71.730 71.730 70.117 1.613 18214 5226 1 16 . 1 1 54 54 THR H H 54 8.753 8.753 8.182 0.571 18214 5227 1 16 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.215 0.140 18214 5228 1 16 . 1 1 56 56 ALA C C 56 177.569 177.569 177.623 -0.054 18214 5229 1 16 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.751 -0.721 18214 5230 1 16 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.817 0.083 18214 5231 1 16 . 1 1 57 57 GLY N N 57 106.509 106.509 104.677 1.832 18214 5232 1 16 . 1 1 57 57 GLY C C 57 174.678 174.678 173.706 0.972 18214 5233 1 16 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.650 0.950 18214 5234 1 16 . 1 1 57 57 GLY H H 57 7.961 7.961 7.781 0.180 18214 5235 1 16 . 1 1 58 58 LYS N N 58 118.787 118.787 118.803 -0.016 18214 5236 1 16 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.665 -0.037 18214 5237 1 16 . 1 1 58 58 LYS C C 58 174.755 174.755 175.049 -0.294 18214 5238 1 16 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.141 0.519 18214 5239 1 16 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.383 -2.433 18214 5240 1 16 . 1 1 58 58 LYS H H 58 7.064 7.064 7.826 -0.762 18214 5241 1 16 . 1 1 59 59 LEU N N 59 117.082 117.082 119.945 -2.863 18214 5242 1 16 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.042 -0.262 18214 5243 1 16 . 1 1 59 59 LEU C C 59 174.903 174.903 176.146 -1.243 18214 5244 1 16 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.540 -0.420 18214 5245 1 16 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.812 0.278 18214 5246 1 16 . 1 1 59 59 LEU H H 59 6.661 6.661 8.316 -1.655 18214 5247 1 16 . 1 1 60 60 LEU N N 60 121.360 121.360 125.752 -4.392 18214 5248 1 16 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.641 -0.286 18214 5249 1 16 . 1 1 60 60 LEU C C 60 174.005 174.005 174.585 -0.580 18214 5250 1 16 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.260 -0.430 18214 5251 1 16 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.795 2.245 18214 5252 1 16 . 1 1 60 60 LEU H H 60 8.457 8.457 8.471 -0.014 18214 5253 1 16 . 1 1 61 61 LEU N N 61 127.886 127.886 129.683 -1.797 18214 5254 1 16 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.863 0.583 18214 5255 1 16 . 1 1 61 61 LEU C C 61 175.910 175.910 176.195 -0.285 18214 5256 1 16 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.893 -0.613 18214 5257 1 16 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.553 4.417 18214 5258 1 16 . 1 1 61 61 LEU H H 61 8.556 8.556 8.686 -0.130 18214 5259 1 16 . 1 1 62 62 THR N N 62 120.607 120.607 120.449 0.158 18214 5260 1 16 . 1 1 62 62 THR HA H 62 4.749 4.749 4.784 -0.035 18214 5261 1 16 . 1 1 62 62 THR C C 62 171.903 171.903 172.516 -0.613 18214 5262 1 16 . 1 1 62 62 THR CA C 62 60.240 60.240 61.241 -1.001 18214 5263 1 16 . 1 1 62 62 THR CB C 62 71.970 71.970 71.787 0.184 18214 5264 1 16 . 1 1 62 62 THR H H 62 9.281 9.281 8.892 0.389 18214 5265 1 17 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.348 -0.062 18214 5266 1 17 . 1 1 3 3 ARG C C 3 176.261 176.261 177.238 -0.977 18214 5267 1 17 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.566 -0.336 18214 5268 1 17 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.098 0.662 18214 5269 1 17 . 1 1 4 4 MET N N 4 121.127 121.127 120.710 0.417 18214 5270 1 17 . 1 1 4 4 MET HA H 4 4.392 4.392 4.183 0.209 18214 5271 1 17 . 1 1 4 4 MET C C 4 175.779 175.779 174.461 1.318 18214 5272 1 17 . 1 1 4 4 MET CA C 4 55.440 55.440 55.392 0.048 18214 5273 1 17 . 1 1 4 4 MET CB C 4 32.820 32.820 33.077 -0.257 18214 5274 1 17 . 1 1 4 4 MET H H 4 8.318 8.318 7.813 0.505 18214 5275 1 17 . 1 1 5 5 ASP N N 5 121.087 121.087 124.264 -3.177 18214 5276 1 17 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.668 -0.146 18214 5277 1 17 . 1 1 5 5 ASP C C 5 175.850 175.850 175.530 0.320 18214 5278 1 17 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.269 -0.049 18214 5279 1 17 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.658 -0.458 18214 5280 1 17 . 1 1 5 5 ASP H H 5 8.247 8.247 8.429 -0.182 18214 5281 1 17 . 1 1 6 6 ASN N N 6 119.267 119.267 122.594 -3.327 18214 5282 1 17 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.938 -0.274 18214 5283 1 17 . 1 1 6 6 ASN C C 6 175.478 175.478 174.963 0.515 18214 5284 1 17 . 1 1 6 6 ASN CA C 6 53.370 53.370 52.647 0.723 18214 5285 1 17 . 1 1 6 6 ASN CB C 6 38.520 38.520 40.046 -1.526 18214 5286 1 17 . 1 1 6 6 ASN H H 6 8.320 8.320 8.624 -0.304 18214 5287 1 17 . 1 1 7 7 THR N N 7 114.228 114.228 118.344 -4.116 18214 5288 1 17 . 1 1 7 7 THR HA H 7 4.179 4.179 4.292 -0.113 18214 5289 1 17 . 1 1 7 7 THR C C 7 174.476 174.476 174.256 0.220 18214 5290 1 17 . 1 1 7 7 THR CA C 7 62.340 62.340 62.232 0.108 18214 5291 1 17 . 1 1 7 7 THR CB C 7 69.650 69.650 69.672 -0.022 18214 5292 1 17 . 1 1 7 7 THR H H 7 8.111 8.111 8.460 -0.349 18214 5293 1 17 . 1 1 8 8 GLU N N 8 122.962 122.962 125.897 -2.935 18214 5294 1 17 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.616 -0.393 18214 5295 1 17 . 1 1 8 8 GLU C C 8 176.020 176.020 175.973 0.047 18214 5296 1 17 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.220 1.010 18214 5297 1 17 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.988 -0.728 18214 5298 1 17 . 1 1 8 8 GLU H H 8 8.256 8.256 8.374 -0.118 18214 5299 1 17 . 1 1 9 9 LEU N N 9 124.766 124.766 119.152 5.614 18214 5300 1 17 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.674 -0.191 18214 5301 1 17 . 1 1 9 9 LEU CA C 9 53.170 53.170 52.891 0.279 18214 5302 1 17 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.257 0.333 18214 5303 1 17 . 1 1 9 9 LEU H H 9 8.130 8.130 8.405 -0.275 18214 5304 1 17 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.327 -0.035 18214 5305 1 17 . 1 1 10 10 PRO C C 10 176.337 176.337 176.163 0.174 18214 5306 1 17 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.193 -0.343 18214 5307 1 17 . 1 1 10 10 PRO CB C 10 31.920 31.920 30.809 1.111 18214 5308 1 17 . 1 1 11 11 HIS N N 11 120.147 120.147 124.478 -4.331 18214 5309 1 17 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.808 0.017 18214 5310 1 17 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.019 -0.589 18214 5311 1 17 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.562 -0.192 18214 5312 1 17 . 1 1 11 11 HIS H H 11 8.329 8.329 8.548 -0.219 18214 5313 1 17 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.717 -0.390 18214 5314 1 17 . 1 1 12 12 PRO C C 12 176.731 176.731 175.433 1.298 18214 5315 1 17 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.625 0.565 18214 5316 1 17 . 1 1 12 12 PRO CB C 12 32.110 32.110 33.014 -0.904 18214 5317 1 17 . 1 1 13 13 LYS N N 13 121.927 121.927 121.042 0.885 18214 5318 1 17 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.351 -0.150 18214 5319 1 17 . 1 1 13 13 LYS C C 13 176.622 176.622 174.972 1.650 18214 5320 1 17 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.285 0.315 18214 5321 1 17 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.702 -0.682 18214 5322 1 17 . 1 1 13 13 LYS H H 13 8.472 8.472 8.178 0.294 18214 5323 1 17 . 1 1 14 14 GLU N N 14 122.532 122.532 124.186 -1.654 18214 5324 1 17 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.174 0.031 18214 5325 1 17 . 1 1 14 14 GLU C C 14 176.326 176.326 175.089 1.237 18214 5326 1 17 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.646 -0.076 18214 5327 1 17 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.870 0.230 18214 5328 1 17 . 1 1 14 14 GLU H H 14 8.442 8.442 8.626 -0.184 18214 5329 1 17 . 1 1 15 15 ILE N N 15 121.207 121.207 124.227 -3.020 18214 5330 1 17 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.118 -0.051 18214 5331 1 17 . 1 1 15 15 ILE C C 15 175.680 175.680 175.948 -0.268 18214 5332 1 17 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.578 -0.619 18214 5333 1 17 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.889 0.961 18214 5334 1 17 . 1 1 15 15 ILE H H 15 8.068 8.068 8.424 -0.356 18214 5335 1 17 . 1 1 16 16 ASP N N 16 124.246 124.246 126.428 -2.182 18214 5336 1 17 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.489 0.035 18214 5337 1 17 . 1 1 16 16 ASP C C 16 175.965 175.965 175.003 0.962 18214 5338 1 17 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.653 -0.103 18214 5339 1 17 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.753 -0.783 18214 5340 1 17 . 1 1 16 16 ASP H H 16 8.284 8.284 8.592 -0.308 18214 5341 1 17 . 1 1 17 17 ASN N N 17 119.667 119.667 118.835 0.832 18214 5342 1 17 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.703 -0.126 18214 5343 1 17 . 1 1 17 17 ASN C C 17 175.417 175.417 174.278 1.139 18214 5344 1 17 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.209 0.481 18214 5345 1 17 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.480 0.320 18214 5346 1 17 . 1 1 17 17 ASN H H 17 8.317 8.317 8.480 -0.163 18214 5347 1 17 . 1 1 18 18 GLU N N 18 120.842 120.842 120.714 0.128 18214 5348 1 17 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.196 0.001 18214 5349 1 17 . 1 1 18 18 GLU C C 18 176.704 176.704 176.244 0.460 18214 5350 1 17 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.836 -0.066 18214 5351 1 17 . 1 1 18 18 GLU CB C 18 30.100 30.100 30.110 -0.010 18214 5352 1 17 . 1 1 18 18 GLU H H 18 8.407 8.407 7.827 0.580 18214 5353 1 17 . 1 1 19 19 THR N N 19 115.248 115.248 120.215 -4.967 18214 5354 1 17 . 1 1 19 19 THR HA H 19 4.177 4.177 4.565 -0.388 18214 5355 1 17 . 1 1 19 19 THR C C 19 174.186 174.186 174.165 0.021 18214 5356 1 17 . 1 1 19 19 THR CA C 19 62.250 62.250 61.811 0.439 18214 5357 1 17 . 1 1 19 19 THR CB C 19 69.650 69.650 69.210 0.439 18214 5358 1 17 . 1 1 19 19 THR H H 19 8.074 8.074 8.443 -0.369 18214 5359 1 17 . 1 1 20 20 LEU N N 20 124.826 124.826 125.756 -0.930 18214 5360 1 17 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.442 -0.178 18214 5361 1 17 . 1 1 20 20 LEU C C 20 176.698 176.698 177.289 -0.591 18214 5362 1 17 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.494 0.086 18214 5363 1 17 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.555 -0.445 18214 5364 1 17 . 1 1 20 20 LEU H H 20 8.074 8.074 8.305 -0.231 18214 5365 1 17 . 1 1 21 21 LEU N N 21 124.466 124.466 122.667 1.799 18214 5366 1 17 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.524 -0.012 18214 5367 1 17 . 1 1 21 21 LEU CA C 21 52.580 52.580 52.995 -0.415 18214 5368 1 17 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.482 0.378 18214 5369 1 17 . 1 1 21 21 LEU H H 21 8.088 8.088 8.232 -0.144 18214 5370 1 17 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.390 -0.098 18214 5371 1 17 . 1 1 22 22 PRO C C 22 176.540 176.540 176.697 -0.157 18214 5372 1 17 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.584 0.326 18214 5373 1 17 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.247 -0.117 18214 5374 1 17 . 1 1 23 23 ALA N N 23 124.451 124.451 122.498 1.953 18214 5375 1 17 . 1 1 23 23 ALA HA H 23 4.158 4.158 3.964 0.194 18214 5376 1 17 . 1 1 23 23 ALA C C 23 177.005 177.005 175.989 1.016 18214 5377 1 17 . 1 1 23 23 ALA CA C 23 52.230 52.230 54.142 -1.912 18214 5378 1 17 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.166 0.144 18214 5379 1 17 . 1 1 23 23 ALA H H 23 8.314 8.314 8.764 -0.450 18214 5380 1 17 . 1 1 24 24 ALA N N 24 121.792 121.792 116.225 5.567 18214 5381 1 17 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.377 -0.121 18214 5382 1 17 . 1 1 24 24 ALA C C 24 177.065 177.065 175.223 1.842 18214 5383 1 17 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.525 0.325 18214 5384 1 17 . 1 1 24 24 ALA CB C 24 20.300 20.300 21.810 -1.510 18214 5385 1 17 . 1 1 24 24 ALA H H 24 7.994 7.994 7.352 0.642 18214 5386 1 17 . 1 1 25 25 GLU N N 25 120.287 120.287 120.500 -0.213 18214 5387 1 17 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.329 -0.203 18214 5388 1 17 . 1 1 25 25 GLU C C 25 176.233 176.233 175.784 0.449 18214 5389 1 17 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.540 1.270 18214 5390 1 17 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.784 0.456 18214 5391 1 17 . 1 1 25 25 GLU H H 25 8.404 8.404 8.528 -0.124 18214 5392 1 17 . 1 1 26 26 ARG N N 26 123.246 123.246 122.089 1.157 18214 5393 1 17 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.320 0.015 18214 5394 1 17 . 1 1 26 26 ARG C C 26 174.514 174.514 175.264 -0.750 18214 5395 1 17 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.579 0.601 18214 5396 1 17 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.471 1.869 18214 5397 1 17 . 1 1 26 26 ARG H H 26 8.598 8.598 8.015 0.583 18214 5398 1 17 . 1 1 27 27 ARG N N 27 123.563 123.563 126.770 -3.207 18214 5399 1 17 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.419 1.025 18214 5400 1 17 . 1 1 27 27 ARG C C 27 175.308 175.308 176.190 -0.882 18214 5401 1 17 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.023 -1.853 18214 5402 1 17 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.115 5.385 18214 5403 1 17 . 1 1 27 27 ARG H H 27 8.230 8.230 8.150 0.080 18214 5404 1 17 . 1 1 28 28 VAL N N 28 120.927 120.927 120.480 0.447 18214 5405 1 17 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.484 -0.049 18214 5406 1 17 . 1 1 28 28 VAL C C 28 173.178 173.178 175.257 -2.079 18214 5407 1 17 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.489 0.301 18214 5408 1 17 . 1 1 28 28 VAL CB C 28 35.510 35.510 34.686 0.824 18214 5409 1 17 . 1 1 28 28 VAL H H 28 9.062 9.062 8.294 0.768 18214 5410 1 17 . 1 1 29 29 ASN N N 29 124.526 124.526 120.954 3.572 18214 5411 1 17 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.904 0.249 18214 5412 1 17 . 1 1 29 29 ASN C C 29 177.848 177.848 177.613 0.235 18214 5413 1 17 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.472 -1.312 18214 5414 1 17 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.915 1.175 18214 5415 1 17 . 1 1 29 29 ASN H H 29 8.779 8.779 8.551 0.228 18214 5416 1 17 . 1 1 30 30 SER N N 30 123.081 123.081 117.918 5.163 18214 5417 1 17 . 1 1 30 30 SER HA H 30 3.730 3.730 4.012 -0.282 18214 5418 1 17 . 1 1 30 30 SER C C 30 175.833 175.833 176.293 -0.460 18214 5419 1 17 . 1 1 30 30 SER CA C 30 62.010 62.010 61.659 0.351 18214 5420 1 17 . 1 1 30 30 SER CB C 30 60.920 60.920 62.919 -1.999 18214 5421 1 17 . 1 1 30 30 SER H H 30 9.338 9.338 8.522 0.816 18214 5422 1 17 . 1 1 31 31 GLN N N 31 122.307 122.307 122.042 0.265 18214 5423 1 17 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.114 -0.081 18214 5424 1 17 . 1 1 31 31 GLN C C 31 177.569 177.569 176.777 0.792 18214 5425 1 17 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.924 0.826 18214 5426 1 17 . 1 1 31 31 GLN CB C 31 27.810 27.810 27.930 -0.120 18214 5427 1 17 . 1 1 31 31 GLN H H 31 8.938 8.938 8.388 0.550 18214 5428 1 17 . 1 1 32 32 ALA N N 32 119.987 119.987 121.857 -1.870 18214 5429 1 17 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.584 -0.356 18214 5430 1 17 . 1 1 32 32 ALA C C 32 177.908 177.908 177.987 -0.079 18214 5431 1 17 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.879 2.131 18214 5432 1 17 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.733 0.157 18214 5433 1 17 . 1 1 32 32 ALA H H 32 7.477 7.477 7.768 -0.291 18214 5434 1 17 . 1 1 33 33 LEU N N 33 117.867 117.867 116.621 1.246 18214 5435 1 17 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.926 0.196 18214 5436 1 17 . 1 1 33 33 LEU C C 33 176.348 176.348 176.628 -0.280 18214 5437 1 17 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.138 -0.858 18214 5438 1 17 . 1 1 33 33 LEU CB C 33 44.670 44.670 41.991 2.679 18214 5439 1 17 . 1 1 33 33 LEU H H 33 7.269 7.269 7.435 -0.166 18214 5440 1 17 . 1 1 34 34 LEU N N 34 114.642 114.642 114.323 0.319 18214 5441 1 17 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.577 -0.877 18214 5442 1 17 . 1 1 34 34 LEU C C 34 177.870 177.870 178.059 -0.189 18214 5443 1 17 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.209 1.191 18214 5444 1 17 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.947 -1.597 18214 5445 1 17 . 1 1 34 34 LEU H H 34 7.915 7.915 7.629 0.286 18214 5446 1 17 . 1 1 35 35 GLY N N 35 104.529 104.529 107.624 -3.095 18214 5447 1 17 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.220 -0.610 18214 5448 1 17 . 1 1 35 35 GLY H H 35 7.650 7.650 8.074 -0.424 18214 5449 1 17 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.472 -0.149 18214 5450 1 17 . 1 1 36 36 PRO C C 36 177.043 177.043 176.228 0.815 18214 5451 1 17 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.198 0.481 18214 5452 1 17 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.839 -0.279 18214 5453 1 17 . 1 1 37 37 ASP N N 37 115.648 115.648 119.464 -3.816 18214 5454 1 17 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.573 -0.077 18214 5455 1 17 . 1 1 37 37 ASP C C 37 177.279 177.279 177.701 -0.422 18214 5456 1 17 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.808 -1.598 18214 5457 1 17 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.092 -0.902 18214 5458 1 17 . 1 1 37 37 ASP H H 37 8.500 8.500 8.069 0.431 18214 5459 1 17 . 1 1 38 38 GLY N N 38 107.249 107.249 106.432 0.817 18214 5460 1 17 . 1 1 38 38 GLY C C 38 172.445 172.445 173.587 -1.142 18214 5461 1 17 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.878 1.242 18214 5462 1 17 . 1 1 38 38 GLY H H 38 8.084 8.084 8.206 -0.122 18214 5463 1 17 . 1 1 39 39 LYS N N 39 115.188 115.188 119.538 -4.350 18214 5464 1 17 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.203 0.186 18214 5465 1 17 . 1 1 39 39 LYS C C 39 175.182 175.182 175.033 0.149 18214 5466 1 17 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.818 0.092 18214 5467 1 17 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.226 3.654 18214 5468 1 17 . 1 1 39 39 LYS H H 39 7.244 7.244 7.606 -0.362 18214 5469 1 17 . 1 1 40 40 VAL N N 40 120.767 120.767 116.375 4.392 18214 5470 1 17 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.724 -0.362 18214 5471 1 17 . 1 1 40 40 VAL C C 40 171.344 171.344 174.259 -2.915 18214 5472 1 17 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.327 2.013 18214 5473 1 17 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.747 -0.617 18214 5474 1 17 . 1 1 40 40 VAL H H 40 8.914 8.914 8.436 0.478 18214 5475 1 17 . 1 1 41 41 ILE N N 41 127.866 127.866 120.897 6.969 18214 5476 1 17 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.191 0.538 18214 5477 1 17 . 1 1 41 41 ILE C C 41 175.237 175.237 175.100 0.137 18214 5478 1 17 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.899 -0.989 18214 5479 1 17 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.464 0.736 18214 5480 1 17 . 1 1 41 41 ILE H H 41 8.114 8.114 8.026 0.088 18214 5481 1 17 . 1 1 42 42 ILE N N 42 126.986 126.986 128.964 -1.978 18214 5482 1 17 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.163 0.637 18214 5483 1 17 . 1 1 42 42 ILE C C 42 175.187 175.187 174.531 0.656 18214 5484 1 17 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.212 -1.382 18214 5485 1 17 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.648 2.162 18214 5486 1 17 . 1 1 42 42 ILE H H 42 9.249 9.249 8.488 0.761 18214 5487 1 17 . 1 1 43 43 ASP N N 43 127.951 127.951 129.637 -1.686 18214 5488 1 17 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.321 -0.350 18214 5489 1 17 . 1 1 43 43 ASP C C 43 175.505 175.505 174.578 0.927 18214 5490 1 17 . 1 1 43 43 ASP CA C 43 53.970 53.970 52.736 1.234 18214 5491 1 17 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.600 -0.390 18214 5492 1 17 . 1 1 43 43 ASP H H 43 8.800 8.800 8.695 0.105 18214 5493 1 17 . 1 1 44 44 HIS N N 44 126.451 126.451 126.284 0.167 18214 5494 1 17 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.783 0.413 18214 5495 1 17 . 1 1 44 44 HIS C C 44 174.492 174.492 174.226 0.266 18214 5496 1 17 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.817 -2.157 18214 5497 1 17 . 1 1 44 44 HIS CB C 44 33.900 33.900 33.558 0.342 18214 5498 1 17 . 1 1 44 44 HIS H H 44 9.194 9.194 8.652 0.542 18214 5499 1 17 . 1 1 45 45 ASN N N 45 126.311 126.311 124.563 1.748 18214 5500 1 17 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.344 -0.204 18214 5501 1 17 . 1 1 45 45 ASN C C 45 174.892 174.892 175.356 -0.464 18214 5502 1 17 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.959 -0.298 18214 5503 1 17 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.378 -0.188 18214 5504 1 17 . 1 1 45 45 ASN H H 45 9.057 9.057 8.718 0.339 18214 5505 1 17 . 1 1 46 46 GLY N N 46 105.469 105.469 103.394 2.075 18214 5506 1 17 . 1 1 46 46 GLY C C 46 173.945 173.945 173.948 -0.003 18214 5507 1 17 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.099 0.341 18214 5508 1 17 . 1 1 46 46 GLY H H 46 8.686 8.686 8.488 0.198 18214 5509 1 17 . 1 1 47 47 GLN N N 47 120.007 120.007 118.782 1.225 18214 5510 1 17 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.614 -0.145 18214 5511 1 17 . 1 1 47 47 GLN C C 47 174.656 174.656 174.308 0.348 18214 5512 1 17 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.569 -0.419 18214 5513 1 17 . 1 1 47 47 GLN CB C 47 31.070 31.070 31.612 -0.542 18214 5514 1 17 . 1 1 47 47 GLN H H 47 7.841 7.841 7.769 0.072 18214 5515 1 17 . 1 1 48 48 GLU N N 48 123.081 123.081 119.060 4.021 18214 5516 1 17 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.388 -0.649 18214 5517 1 17 . 1 1 48 48 GLU C C 48 175.877 175.877 175.362 0.515 18214 5518 1 17 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.733 1.437 18214 5519 1 17 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.418 -1.688 18214 5520 1 17 . 1 1 48 48 GLU H H 48 8.505 8.505 8.693 -0.188 18214 5521 1 17 . 1 1 49 49 TYR N N 49 124.226 124.226 118.078 6.148 18214 5522 1 17 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.729 0.031 18214 5523 1 17 . 1 1 49 49 TYR C C 49 174.098 174.098 173.961 0.137 18214 5524 1 17 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.824 1.036 18214 5525 1 17 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.357 1.163 18214 5526 1 17 . 1 1 49 49 TYR H H 49 9.086 9.086 8.582 0.504 18214 5527 1 17 . 1 1 50 50 LEU N N 50 123.506 123.506 126.451 -2.945 18214 5528 1 17 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.591 0.250 18214 5529 1 17 . 1 1 50 50 LEU C C 50 174.459 174.459 175.135 -0.676 18214 5530 1 17 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.799 -0.959 18214 5531 1 17 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.506 1.424 18214 5532 1 17 . 1 1 50 50 LEU H H 50 9.147 9.147 8.305 0.842 18214 5533 1 17 . 1 1 51 51 LEU N N 51 129.785 129.785 129.389 0.396 18214 5534 1 17 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.274 -0.041 18214 5535 1 17 . 1 1 51 51 LEU C C 51 174.246 174.246 174.252 -0.006 18214 5536 1 17 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.941 -0.001 18214 5537 1 17 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.128 -1.238 18214 5538 1 17 . 1 1 51 51 LEU H H 51 8.803 8.803 8.638 0.165 18214 5539 1 17 . 1 1 52 52 ARG N N 52 121.867 121.867 123.968 -2.101 18214 5540 1 17 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.175 0.117 18214 5541 1 17 . 1 1 52 52 ARG C C 52 173.561 173.561 175.229 -1.668 18214 5542 1 17 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.461 -0.241 18214 5543 1 17 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.544 1.016 18214 5544 1 17 . 1 1 52 52 ARG H H 52 8.740 8.740 8.691 0.049 18214 5545 1 17 . 1 1 53 53 LYS N N 53 118.467 118.467 125.947 -7.480 18214 5546 1 17 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.715 0.445 18214 5547 1 17 . 1 1 53 53 LYS C C 53 176.879 176.879 176.658 0.221 18214 5548 1 17 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.104 -2.444 18214 5549 1 17 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.308 1.492 18214 5550 1 17 . 1 1 53 53 LYS H H 53 7.912 7.912 8.295 -0.383 18214 5551 1 17 . 1 1 54 54 THR N N 54 114.428 114.428 117.599 -3.171 18214 5552 1 17 . 1 1 54 54 THR HA H 54 4.703 4.703 4.338 0.365 18214 5553 1 17 . 1 1 54 54 THR CA C 54 59.430 59.430 62.163 -2.733 18214 5554 1 17 . 1 1 54 54 THR CB C 54 71.730 71.730 70.136 1.594 18214 5555 1 17 . 1 1 54 54 THR H H 54 8.753 8.753 8.424 0.329 18214 5556 1 17 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.276 0.079 18214 5557 1 17 . 1 1 56 56 ALA C C 56 177.569 177.569 177.554 0.015 18214 5558 1 17 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.470 -0.440 18214 5559 1 17 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.752 0.148 18214 5560 1 17 . 1 1 57 57 GLY N N 57 106.509 106.509 105.263 1.246 18214 5561 1 17 . 1 1 57 57 GLY C C 57 174.678 174.678 173.807 0.871 18214 5562 1 17 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.730 0.870 18214 5563 1 17 . 1 1 57 57 GLY H H 57 7.961 7.961 7.841 0.120 18214 5564 1 17 . 1 1 58 58 LYS N N 58 118.787 118.787 118.687 0.100 18214 5565 1 17 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.677 -0.049 18214 5566 1 17 . 1 1 58 58 LYS C C 58 174.755 174.755 174.869 -0.114 18214 5567 1 17 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.224 0.436 18214 5568 1 17 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.642 -2.692 18214 5569 1 17 . 1 1 58 58 LYS H H 58 7.064 7.064 7.917 -0.853 18214 5570 1 17 . 1 1 59 59 LEU N N 59 117.082 117.082 119.834 -2.752 18214 5571 1 17 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.192 -0.412 18214 5572 1 17 . 1 1 59 59 LEU C C 59 174.903 174.903 176.132 -1.229 18214 5573 1 17 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.394 -0.274 18214 5574 1 17 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.999 0.091 18214 5575 1 17 . 1 1 59 59 LEU H H 59 6.661 6.661 8.290 -1.629 18214 5576 1 17 . 1 1 60 60 LEU N N 60 121.360 121.360 125.073 -3.713 18214 5577 1 17 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.691 -0.336 18214 5578 1 17 . 1 1 60 60 LEU C C 60 174.005 174.005 174.532 -0.527 18214 5579 1 17 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.311 -0.481 18214 5580 1 17 . 1 1 60 60 LEU CB C 60 47.040 47.040 45.382 1.658 18214 5581 1 17 . 1 1 60 60 LEU H H 60 8.457 8.457 8.494 -0.037 18214 5582 1 17 . 1 1 61 61 LEU N N 61 127.886 127.886 129.507 -1.621 18214 5583 1 17 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.178 0.268 18214 5584 1 17 . 1 1 61 61 LEU C C 61 175.910 175.910 176.532 -0.622 18214 5585 1 17 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.295 -1.015 18214 5586 1 17 . 1 1 61 61 LEU CB C 61 45.970 45.970 42.281 3.689 18214 5587 1 17 . 1 1 61 61 LEU H H 61 8.556 8.556 8.608 -0.052 18214 5588 1 17 . 1 1 62 62 THR N N 62 120.607 120.607 116.699 3.908 18214 5589 1 17 . 1 1 62 62 THR HA H 62 4.749 4.749 4.692 0.057 18214 5590 1 17 . 1 1 62 62 THR C C 62 171.903 171.903 172.579 -0.676 18214 5591 1 17 . 1 1 62 62 THR CA C 62 60.240 60.240 60.172 0.068 18214 5592 1 17 . 1 1 62 62 THR CB C 62 71.970 71.970 71.029 0.940 18214 5593 1 17 . 1 1 62 62 THR H H 62 9.281 9.281 9.150 0.131 18214 5594 1 18 . 1 1 3 3 ARG HA H 3 4.286 4.286 3.998 0.288 18214 5595 1 18 . 1 1 3 3 ARG C C 3 176.261 176.261 175.766 0.495 18214 5596 1 18 . 1 1 3 3 ARG CA C 3 56.230 56.230 58.078 -1.848 18214 5597 1 18 . 1 1 3 3 ARG CB C 3 30.760 30.760 29.261 1.499 18214 5598 1 18 . 1 1 4 4 MET N N 4 121.127 121.127 120.326 0.801 18214 5599 1 18 . 1 1 4 4 MET HA H 4 4.392 4.392 4.660 -0.268 18214 5600 1 18 . 1 1 4 4 MET C C 4 175.779 175.779 175.682 0.097 18214 5601 1 18 . 1 1 4 4 MET CA C 4 55.440 55.440 54.969 0.471 18214 5602 1 18 . 1 1 4 4 MET CB C 4 32.820 32.820 34.571 -1.751 18214 5603 1 18 . 1 1 4 4 MET H H 4 8.318 8.318 8.185 0.133 18214 5604 1 18 . 1 1 5 5 ASP N N 5 121.087 121.087 124.650 -3.563 18214 5605 1 18 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.452 0.070 18214 5606 1 18 . 1 1 5 5 ASP C C 5 175.850 175.850 176.617 -0.767 18214 5607 1 18 . 1 1 5 5 ASP CA C 5 54.220 54.220 55.976 -1.756 18214 5608 1 18 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.117 0.083 18214 5609 1 18 . 1 1 5 5 ASP H H 5 8.247 8.247 8.581 -0.334 18214 5610 1 18 . 1 1 6 6 ASN N N 6 119.267 119.267 116.643 2.624 18214 5611 1 18 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.604 0.060 18214 5612 1 18 . 1 1 6 6 ASN C C 6 175.478 175.478 173.536 1.942 18214 5613 1 18 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.708 -0.338 18214 5614 1 18 . 1 1 6 6 ASN CB C 6 38.520 38.520 38.772 -0.252 18214 5615 1 18 . 1 1 6 6 ASN H H 6 8.320 8.320 8.079 0.241 18214 5616 1 18 . 1 1 7 7 THR N N 7 114.228 114.228 117.244 -3.016 18214 5617 1 18 . 1 1 7 7 THR HA H 7 4.179 4.179 4.523 -0.344 18214 5618 1 18 . 1 1 7 7 THR C C 7 174.476 174.476 172.896 1.580 18214 5619 1 18 . 1 1 7 7 THR CA C 7 62.340 62.340 61.023 1.317 18214 5620 1 18 . 1 1 7 7 THR CB C 7 69.650 69.650 69.837 -0.187 18214 5621 1 18 . 1 1 7 7 THR H H 7 8.111 8.111 8.195 -0.084 18214 5622 1 18 . 1 1 8 8 GLU N N 8 122.962 122.962 124.656 -1.694 18214 5623 1 18 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.588 -0.365 18214 5624 1 18 . 1 1 8 8 GLU C C 8 176.020 176.020 176.151 -0.131 18214 5625 1 18 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.663 0.568 18214 5626 1 18 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.966 -0.706 18214 5627 1 18 . 1 1 8 8 GLU H H 8 8.256 8.256 8.515 -0.259 18214 5628 1 18 . 1 1 9 9 LEU N N 9 124.766 124.766 125.992 -1.226 18214 5629 1 18 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.560 -0.077 18214 5630 1 18 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.213 -0.043 18214 5631 1 18 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.312 0.278 18214 5632 1 18 . 1 1 9 9 LEU H H 9 8.130 8.130 8.396 -0.266 18214 5633 1 18 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.493 -0.201 18214 5634 1 18 . 1 1 10 10 PRO C C 10 176.337 176.337 176.002 0.335 18214 5635 1 18 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.826 0.024 18214 5636 1 18 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.131 -0.211 18214 5637 1 18 . 1 1 11 11 HIS N N 11 120.147 120.147 121.119 -0.972 18214 5638 1 18 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.738 0.087 18214 5639 1 18 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.144 -0.714 18214 5640 1 18 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.732 -0.362 18214 5641 1 18 . 1 1 11 11 HIS H H 11 8.329 8.329 8.202 0.127 18214 5642 1 18 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.394 -0.067 18214 5643 1 18 . 1 1 12 12 PRO C C 12 176.731 176.731 176.336 0.395 18214 5644 1 18 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.382 0.808 18214 5645 1 18 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.393 -0.283 18214 5646 1 18 . 1 1 13 13 LYS N N 13 121.927 121.927 120.828 1.099 18214 5647 1 18 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.247 -0.046 18214 5648 1 18 . 1 1 13 13 LYS C C 13 176.622 176.622 176.733 -0.111 18214 5649 1 18 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.452 0.148 18214 5650 1 18 . 1 1 13 13 LYS CB C 13 33.020 33.020 32.394 0.626 18214 5651 1 18 . 1 1 13 13 LYS H H 13 8.472 8.472 8.348 0.124 18214 5652 1 18 . 1 1 14 14 GLU N N 14 122.532 122.532 123.225 -0.693 18214 5653 1 18 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.241 -0.036 18214 5654 1 18 . 1 1 14 14 GLU C C 14 176.326 176.326 175.946 0.380 18214 5655 1 18 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.712 -0.142 18214 5656 1 18 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.462 0.638 18214 5657 1 18 . 1 1 14 14 GLU H H 14 8.442 8.442 8.518 -0.076 18214 5658 1 18 . 1 1 15 15 ILE N N 15 121.207 121.207 126.825 -5.618 18214 5659 1 18 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.232 -0.165 18214 5660 1 18 . 1 1 15 15 ILE C C 15 175.680 175.680 175.439 0.241 18214 5661 1 18 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.504 0.456 18214 5662 1 18 . 1 1 15 15 ILE CB C 15 38.850 38.850 38.830 0.020 18214 5663 1 18 . 1 1 15 15 ILE H H 15 8.068 8.068 8.251 -0.183 18214 5664 1 18 . 1 1 16 16 ASP N N 16 124.246 124.246 128.095 -3.849 18214 5665 1 18 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.704 -0.180 18214 5666 1 18 . 1 1 16 16 ASP C C 16 175.965 175.965 175.945 0.020 18214 5667 1 18 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.218 0.332 18214 5668 1 18 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.692 -0.722 18214 5669 1 18 . 1 1 16 16 ASP H H 16 8.284 8.284 8.659 -0.375 18214 5670 1 18 . 1 1 17 17 ASN N N 17 119.667 119.667 119.695 -0.028 18214 5671 1 18 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.711 -0.134 18214 5672 1 18 . 1 1 17 17 ASN C C 17 175.417 175.417 173.950 1.467 18214 5673 1 18 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.043 0.647 18214 5674 1 18 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.863 -0.063 18214 5675 1 18 . 1 1 17 17 ASN H H 17 8.317 8.317 8.525 -0.208 18214 5676 1 18 . 1 1 18 18 GLU N N 18 120.842 120.842 117.703 3.139 18214 5677 1 18 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.094 0.103 18214 5678 1 18 . 1 1 18 18 GLU C C 18 176.704 176.704 175.307 1.397 18214 5679 1 18 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.642 0.127 18214 5680 1 18 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.203 0.898 18214 5681 1 18 . 1 1 18 18 GLU H H 18 8.407 8.407 7.991 0.416 18214 5682 1 18 . 1 1 19 19 THR N N 19 115.248 115.248 116.548 -1.300 18214 5683 1 18 . 1 1 19 19 THR HA H 19 4.177 4.177 4.281 -0.104 18214 5684 1 18 . 1 1 19 19 THR C C 19 174.186 174.186 174.743 -0.557 18214 5685 1 18 . 1 1 19 19 THR CA C 19 62.250 62.250 62.547 -0.297 18214 5686 1 18 . 1 1 19 19 THR CB C 19 69.650 69.650 68.787 0.863 18214 5687 1 18 . 1 1 19 19 THR H H 19 8.074 8.074 8.288 -0.214 18214 5688 1 18 . 1 1 20 20 LEU N N 20 124.826 124.826 127.063 -2.237 18214 5689 1 18 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.632 -0.368 18214 5690 1 18 . 1 1 20 20 LEU C C 20 176.698 176.698 176.886 -0.188 18214 5691 1 18 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.036 0.544 18214 5692 1 18 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.783 -0.673 18214 5693 1 18 . 1 1 20 20 LEU H H 20 8.074 8.074 8.443 -0.369 18214 5694 1 18 . 1 1 21 21 LEU N N 21 124.466 124.466 121.705 2.761 18214 5695 1 18 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.483 0.029 18214 5696 1 18 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.280 -0.700 18214 5697 1 18 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.231 0.629 18214 5698 1 18 . 1 1 21 21 LEU H H 21 8.088 8.088 8.184 -0.096 18214 5699 1 18 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.412 -0.120 18214 5700 1 18 . 1 1 22 22 PRO C C 22 176.540 176.540 177.108 -0.568 18214 5701 1 18 . 1 1 22 22 PRO CA C 22 62.910 62.910 63.204 -0.294 18214 5702 1 18 . 1 1 22 22 PRO CB C 22 32.130 32.130 31.966 0.164 18214 5703 1 18 . 1 1 23 23 ALA N N 23 124.451 124.451 125.198 -0.747 18214 5704 1 18 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.055 0.103 18214 5705 1 18 . 1 1 23 23 ALA C C 23 177.005 177.005 176.359 0.646 18214 5706 1 18 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.733 -1.503 18214 5707 1 18 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.011 0.299 18214 5708 1 18 . 1 1 23 23 ALA H H 23 8.314 8.314 8.474 -0.160 18214 5709 1 18 . 1 1 24 24 ALA N N 24 121.792 121.792 120.081 1.711 18214 5710 1 18 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.431 -0.175 18214 5711 1 18 . 1 1 24 24 ALA C C 24 177.065 177.065 175.527 1.538 18214 5712 1 18 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.582 0.268 18214 5713 1 18 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.356 -0.056 18214 5714 1 18 . 1 1 24 24 ALA H H 24 7.994 7.994 7.455 0.539 18214 5715 1 18 . 1 1 25 25 GLU N N 25 120.287 120.287 124.093 -3.806 18214 5716 1 18 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.233 -0.107 18214 5717 1 18 . 1 1 25 25 GLU C C 25 176.233 176.233 175.313 0.920 18214 5718 1 18 . 1 1 25 25 GLU CA C 25 56.810 56.810 56.349 0.461 18214 5719 1 18 . 1 1 25 25 GLU CB C 25 30.240 30.240 28.883 1.357 18214 5720 1 18 . 1 1 25 25 GLU H H 25 8.404 8.404 8.707 -0.303 18214 5721 1 18 . 1 1 26 26 ARG N N 26 123.246 123.246 124.967 -1.721 18214 5722 1 18 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.516 -0.181 18214 5723 1 18 . 1 1 26 26 ARG C C 26 174.514 174.514 174.917 -0.403 18214 5724 1 18 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.497 1.683 18214 5725 1 18 . 1 1 26 26 ARG CB C 26 31.340 31.340 31.500 -0.160 18214 5726 1 18 . 1 1 26 26 ARG H H 26 8.598 8.598 7.835 0.763 18214 5727 1 18 . 1 1 27 27 ARG N N 27 123.563 123.563 126.937 -3.374 18214 5728 1 18 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.545 0.899 18214 5729 1 18 . 1 1 27 27 ARG C C 27 175.308 175.308 175.972 -0.664 18214 5730 1 18 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.878 -2.708 18214 5731 1 18 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.105 5.395 18214 5732 1 18 . 1 1 27 27 ARG H H 27 8.230 8.230 8.678 -0.448 18214 5733 1 18 . 1 1 28 28 VAL N N 28 120.927 120.927 120.631 0.296 18214 5734 1 18 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.592 -0.157 18214 5735 1 18 . 1 1 28 28 VAL C C 28 173.178 173.178 174.707 -1.529 18214 5736 1 18 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.137 0.653 18214 5737 1 18 . 1 1 28 28 VAL CB C 28 35.510 35.510 34.578 0.932 18214 5738 1 18 . 1 1 28 28 VAL H H 28 9.062 9.062 8.195 0.867 18214 5739 1 18 . 1 1 29 29 ASN N N 29 124.526 124.526 119.410 5.116 18214 5740 1 18 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.856 0.297 18214 5741 1 18 . 1 1 29 29 ASN C C 29 177.848 177.848 177.426 0.422 18214 5742 1 18 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.587 -0.427 18214 5743 1 18 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.486 0.604 18214 5744 1 18 . 1 1 29 29 ASN H H 29 8.779 8.779 8.427 0.352 18214 5745 1 18 . 1 1 30 30 SER N N 30 123.081 123.081 117.949 5.132 18214 5746 1 18 . 1 1 30 30 SER HA H 30 3.730 3.730 4.118 -0.388 18214 5747 1 18 . 1 1 30 30 SER C C 30 175.833 175.833 176.357 -0.524 18214 5748 1 18 . 1 1 30 30 SER CA C 30 62.010 62.010 61.696 0.314 18214 5749 1 18 . 1 1 30 30 SER CB C 30 60.920 60.920 62.870 -1.950 18214 5750 1 18 . 1 1 30 30 SER H H 30 9.338 9.338 8.600 0.738 18214 5751 1 18 . 1 1 31 31 GLN N N 31 122.307 122.307 119.985 2.322 18214 5752 1 18 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.137 -0.104 18214 5753 1 18 . 1 1 31 31 GLN C C 31 177.569 177.569 176.724 0.845 18214 5754 1 18 . 1 1 31 31 GLN CA C 31 58.750 58.750 57.844 0.906 18214 5755 1 18 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.066 -0.256 18214 5756 1 18 . 1 1 31 31 GLN H H 31 8.938 8.938 8.606 0.332 18214 5757 1 18 . 1 1 32 32 ALA N N 32 119.987 119.987 120.816 -0.829 18214 5758 1 18 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.626 -0.398 18214 5759 1 18 . 1 1 32 32 ALA C C 32 177.908 177.908 178.210 -0.302 18214 5760 1 18 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.937 2.073 18214 5761 1 18 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.762 0.128 18214 5762 1 18 . 1 1 32 32 ALA H H 32 7.477 7.477 7.589 -0.112 18214 5763 1 18 . 1 1 33 33 LEU N N 33 117.867 117.867 117.476 0.391 18214 5764 1 18 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.989 0.133 18214 5765 1 18 . 1 1 33 33 LEU C C 33 176.348 176.348 176.345 0.003 18214 5766 1 18 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.128 -0.848 18214 5767 1 18 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.166 2.504 18214 5768 1 18 . 1 1 33 33 LEU H H 33 7.269 7.269 7.515 -0.246 18214 5769 1 18 . 1 1 34 34 LEU N N 34 114.642 114.642 114.181 0.461 18214 5770 1 18 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.542 -0.842 18214 5771 1 18 . 1 1 34 34 LEU C C 34 177.870 177.870 178.128 -0.258 18214 5772 1 18 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.260 1.140 18214 5773 1 18 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.845 -1.495 18214 5774 1 18 . 1 1 34 34 LEU H H 34 7.915 7.915 7.595 0.320 18214 5775 1 18 . 1 1 35 35 GLY N N 35 104.529 104.529 108.670 -4.141 18214 5776 1 18 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.710 -1.100 18214 5777 1 18 . 1 1 35 35 GLY H H 35 7.650 7.650 8.178 -0.528 18214 5778 1 18 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.510 -0.187 18214 5779 1 18 . 1 1 36 36 PRO C C 36 177.043 177.043 176.404 0.639 18214 5780 1 18 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.280 0.400 18214 5781 1 18 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.883 -0.323 18214 5782 1 18 . 1 1 37 37 ASP N N 37 115.648 115.648 118.621 -2.973 18214 5783 1 18 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.650 -0.154 18214 5784 1 18 . 1 1 37 37 ASP C C 37 177.279 177.279 177.272 0.007 18214 5785 1 18 . 1 1 37 37 ASP CA C 37 53.210 53.210 55.173 -1.963 18214 5786 1 18 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.774 -1.584 18214 5787 1 18 . 1 1 37 37 ASP H H 37 8.500 8.500 7.868 0.632 18214 5788 1 18 . 1 1 38 38 GLY N N 38 107.249 107.249 107.695 -0.446 18214 5789 1 18 . 1 1 38 38 GLY C C 38 172.445 172.445 172.806 -0.361 18214 5790 1 18 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.827 1.293 18214 5791 1 18 . 1 1 38 38 GLY H H 38 8.084 8.084 8.280 -0.196 18214 5792 1 18 . 1 1 39 39 LYS N N 39 115.188 115.188 117.595 -2.407 18214 5793 1 18 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.370 0.019 18214 5794 1 18 . 1 1 39 39 LYS C C 39 175.182 175.182 174.503 0.679 18214 5795 1 18 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.285 -0.375 18214 5796 1 18 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.558 2.322 18214 5797 1 18 . 1 1 39 39 LYS H H 39 7.244 7.244 7.309 -0.065 18214 5798 1 18 . 1 1 40 40 VAL N N 40 120.767 120.767 115.350 5.417 18214 5799 1 18 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.905 -0.543 18214 5800 1 18 . 1 1 40 40 VAL C C 40 171.344 171.344 173.592 -2.248 18214 5801 1 18 . 1 1 40 40 VAL CA C 40 61.340 61.340 58.603 2.737 18214 5802 1 18 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.624 -0.494 18214 5803 1 18 . 1 1 40 40 VAL H H 40 8.914 8.914 8.649 0.265 18214 5804 1 18 . 1 1 41 41 ILE N N 41 127.866 127.866 119.674 8.192 18214 5805 1 18 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.614 0.115 18214 5806 1 18 . 1 1 41 41 ILE C C 41 175.237 175.237 175.802 -0.565 18214 5807 1 18 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.292 -0.382 18214 5808 1 18 . 1 1 41 41 ILE CB C 41 39.200 39.200 37.998 1.202 18214 5809 1 18 . 1 1 41 41 ILE H H 41 8.114 8.114 7.993 0.121 18214 5810 1 18 . 1 1 42 42 ILE N N 42 126.986 126.986 129.674 -2.688 18214 5811 1 18 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.269 0.531 18214 5812 1 18 . 1 1 42 42 ILE C C 42 175.187 175.187 174.728 0.459 18214 5813 1 18 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.031 -2.201 18214 5814 1 18 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.512 1.298 18214 5815 1 18 . 1 1 42 42 ILE H H 42 9.249 9.249 8.992 0.257 18214 5816 1 18 . 1 1 43 43 ASP N N 43 127.951 127.951 127.673 0.278 18214 5817 1 18 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.889 0.082 18214 5818 1 18 . 1 1 43 43 ASP C C 43 175.505 175.505 174.737 0.768 18214 5819 1 18 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.055 0.915 18214 5820 1 18 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.612 -0.402 18214 5821 1 18 . 1 1 43 43 ASP H H 43 8.800 8.800 8.589 0.211 18214 5822 1 18 . 1 1 44 44 HIS N N 44 126.451 126.451 126.954 -0.503 18214 5823 1 18 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.887 0.309 18214 5824 1 18 . 1 1 44 44 HIS C C 44 174.492 174.492 174.314 0.178 18214 5825 1 18 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.835 -2.175 18214 5826 1 18 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.534 1.366 18214 5827 1 18 . 1 1 44 44 HIS H H 44 9.194 9.194 8.233 0.961 18214 5828 1 18 . 1 1 45 45 ASN N N 45 126.311 126.311 125.860 0.451 18214 5829 1 18 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.266 -0.126 18214 5830 1 18 . 1 1 45 45 ASN C C 45 174.892 174.892 175.298 -0.406 18214 5831 1 18 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.426 0.234 18214 5832 1 18 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.691 -0.501 18214 5833 1 18 . 1 1 45 45 ASN H H 45 9.057 9.057 8.982 0.075 18214 5834 1 18 . 1 1 46 46 GLY N N 46 105.469 105.469 102.318 3.151 18214 5835 1 18 . 1 1 46 46 GLY C C 46 173.945 173.945 174.235 -0.290 18214 5836 1 18 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.164 0.276 18214 5837 1 18 . 1 1 46 46 GLY H H 46 8.686 8.686 8.669 0.017 18214 5838 1 18 . 1 1 47 47 GLN N N 47 120.007 120.007 120.746 -0.739 18214 5839 1 18 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.364 0.105 18214 5840 1 18 . 1 1 47 47 GLN C C 47 174.656 174.656 174.436 0.220 18214 5841 1 18 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.880 -0.730 18214 5842 1 18 . 1 1 47 47 GLN CB C 47 31.070 31.070 29.907 1.163 18214 5843 1 18 . 1 1 47 47 GLN H H 47 7.841 7.841 7.613 0.228 18214 5844 1 18 . 1 1 48 48 GLU N N 48 123.081 123.081 121.712 1.369 18214 5845 1 18 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.219 -0.480 18214 5846 1 18 . 1 1 48 48 GLU C C 48 175.877 175.877 175.359 0.518 18214 5847 1 18 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.178 1.992 18214 5848 1 18 . 1 1 48 48 GLU CB C 48 30.730 30.730 31.645 -0.916 18214 5849 1 18 . 1 1 48 48 GLU H H 48 8.505 8.505 8.460 0.045 18214 5850 1 18 . 1 1 49 49 TYR N N 49 124.226 124.226 120.434 3.792 18214 5851 1 18 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.856 -0.096 18214 5852 1 18 . 1 1 49 49 TYR C C 49 174.098 174.098 174.933 -0.835 18214 5853 1 18 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.278 1.582 18214 5854 1 18 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.555 0.965 18214 5855 1 18 . 1 1 49 49 TYR H H 49 9.086 9.086 8.349 0.737 18214 5856 1 18 . 1 1 50 50 LEU N N 50 123.506 123.506 126.491 -2.985 18214 5857 1 18 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.912 -0.071 18214 5858 1 18 . 1 1 50 50 LEU C C 50 174.459 174.459 175.228 -0.769 18214 5859 1 18 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.419 -0.579 18214 5860 1 18 . 1 1 50 50 LEU CB C 50 43.930 43.930 41.833 2.097 18214 5861 1 18 . 1 1 50 50 LEU H H 50 9.147 9.147 8.650 0.497 18214 5862 1 18 . 1 1 51 51 LEU N N 51 129.785 129.785 130.063 -0.278 18214 5863 1 18 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.210 0.023 18214 5864 1 18 . 1 1 51 51 LEU C C 51 174.246 174.246 174.364 -0.118 18214 5865 1 18 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.078 -0.138 18214 5866 1 18 . 1 1 51 51 LEU CB C 51 43.890 43.890 44.309 -0.418 18214 5867 1 18 . 1 1 51 51 LEU H H 51 8.803 8.803 8.649 0.154 18214 5868 1 18 . 1 1 52 52 ARG N N 52 121.867 121.867 124.678 -2.811 18214 5869 1 18 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.046 0.246 18214 5870 1 18 . 1 1 52 52 ARG C C 52 173.561 173.561 175.172 -1.611 18214 5871 1 18 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.595 -0.375 18214 5872 1 18 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.402 1.158 18214 5873 1 18 . 1 1 52 52 ARG H H 52 8.740 8.740 8.637 0.103 18214 5874 1 18 . 1 1 53 53 LYS N N 53 118.467 118.467 125.502 -7.035 18214 5875 1 18 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.800 0.360 18214 5876 1 18 . 1 1 53 53 LYS C C 53 176.879 176.879 176.547 0.332 18214 5877 1 18 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.110 -2.450 18214 5878 1 18 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.467 1.333 18214 5879 1 18 . 1 1 53 53 LYS H H 53 7.912 7.912 8.463 -0.551 18214 5880 1 18 . 1 1 54 54 THR N N 54 114.428 114.428 116.138 -1.710 18214 5881 1 18 . 1 1 54 54 THR HA H 54 4.703 4.703 4.266 0.437 18214 5882 1 18 . 1 1 54 54 THR CA C 54 59.430 59.430 61.528 -2.098 18214 5883 1 18 . 1 1 54 54 THR CB C 54 71.730 71.730 70.239 1.491 18214 5884 1 18 . 1 1 54 54 THR H H 54 8.753 8.753 8.145 0.608 18214 5885 1 18 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.339 0.016 18214 5886 1 18 . 1 1 56 56 ALA C C 56 177.569 177.569 177.180 0.389 18214 5887 1 18 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.889 0.141 18214 5888 1 18 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.239 0.661 18214 5889 1 18 . 1 1 57 57 GLY N N 57 106.509 106.509 106.269 0.240 18214 5890 1 18 . 1 1 57 57 GLY C C 57 174.678 174.678 173.815 0.863 18214 5891 1 18 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.126 0.474 18214 5892 1 18 . 1 1 57 57 GLY H H 57 7.961 7.961 7.891 0.070 18214 5893 1 18 . 1 1 58 58 LYS N N 58 118.787 118.787 118.766 0.021 18214 5894 1 18 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.679 -0.051 18214 5895 1 18 . 1 1 58 58 LYS C C 58 174.755 174.755 175.349 -0.594 18214 5896 1 18 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.225 0.435 18214 5897 1 18 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.039 -2.089 18214 5898 1 18 . 1 1 58 58 LYS H H 58 7.064 7.064 7.817 -0.753 18214 5899 1 18 . 1 1 59 59 LEU N N 59 117.082 117.082 118.969 -1.887 18214 5900 1 18 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.176 -0.396 18214 5901 1 18 . 1 1 59 59 LEU C C 59 174.903 174.903 175.762 -0.859 18214 5902 1 18 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.180 -0.060 18214 5903 1 18 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.460 -0.370 18214 5904 1 18 . 1 1 59 59 LEU H H 59 6.661 6.661 8.178 -1.517 18214 5905 1 18 . 1 1 60 60 LEU N N 60 121.360 121.360 121.414 -0.054 18214 5906 1 18 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.567 -0.212 18214 5907 1 18 . 1 1 60 60 LEU C C 60 174.005 174.005 174.938 -0.933 18214 5908 1 18 . 1 1 60 60 LEU CA C 60 53.830 53.830 55.107 -1.277 18214 5909 1 18 . 1 1 60 60 LEU CB C 60 47.040 47.040 45.462 1.578 18214 5910 1 18 . 1 1 60 60 LEU H H 60 8.457 8.457 8.364 0.093 18214 5911 1 18 . 1 1 61 61 LEU N N 61 127.886 127.886 129.272 -1.386 18214 5912 1 18 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.666 0.780 18214 5913 1 18 . 1 1 61 61 LEU C C 61 175.910 175.910 176.132 -0.222 18214 5914 1 18 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.958 -0.678 18214 5915 1 18 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.790 4.180 18214 5916 1 18 . 1 1 61 61 LEU H H 61 8.556 8.556 8.479 0.077 18214 5917 1 18 . 1 1 62 62 THR N N 62 120.607 120.607 120.830 -0.223 18214 5918 1 18 . 1 1 62 62 THR HA H 62 4.749 4.749 4.839 -0.090 18214 5919 1 18 . 1 1 62 62 THR C C 62 171.903 171.903 172.775 -0.872 18214 5920 1 18 . 1 1 62 62 THR CA C 62 60.240 60.240 60.991 -0.751 18214 5921 1 18 . 1 1 62 62 THR CB C 62 71.970 71.970 71.208 0.762 18214 5922 1 18 . 1 1 62 62 THR H H 62 9.281 9.281 8.806 0.475 18214 5923 1 19 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.036 0.250 18214 5924 1 19 . 1 1 3 3 ARG C C 3 176.261 176.261 175.529 0.732 18214 5925 1 19 . 1 1 3 3 ARG CA C 3 56.230 56.230 57.855 -1.625 18214 5926 1 19 . 1 1 3 3 ARG CB C 3 30.760 30.760 28.854 1.906 18214 5927 1 19 . 1 1 4 4 MET N N 4 121.127 121.127 117.965 3.162 18214 5928 1 19 . 1 1 4 4 MET HA H 4 4.392 4.392 4.600 -0.208 18214 5929 1 19 . 1 1 4 4 MET C C 4 175.779 175.779 175.399 0.380 18214 5930 1 19 . 1 1 4 4 MET CA C 4 55.440 55.440 55.617 -0.177 18214 5931 1 19 . 1 1 4 4 MET CB C 4 32.820 32.820 33.668 -0.848 18214 5932 1 19 . 1 1 4 4 MET H H 4 8.318 8.318 7.922 0.396 18214 5933 1 19 . 1 1 5 5 ASP N N 5 121.087 121.087 119.948 1.139 18214 5934 1 19 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.797 -0.275 18214 5935 1 19 . 1 1 5 5 ASP C C 5 175.850 175.850 174.804 1.046 18214 5936 1 19 . 1 1 5 5 ASP CA C 5 54.220 54.220 53.561 0.659 18214 5937 1 19 . 1 1 5 5 ASP CB C 5 41.200 41.200 42.611 -1.411 18214 5938 1 19 . 1 1 5 5 ASP H H 5 8.247 8.247 7.908 0.339 18214 5939 1 19 . 1 1 6 6 ASN N N 6 119.267 119.267 121.318 -2.051 18214 5940 1 19 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.918 -0.254 18214 5941 1 19 . 1 1 6 6 ASN C C 6 175.478 175.478 175.305 0.173 18214 5942 1 19 . 1 1 6 6 ASN CA C 6 53.370 53.370 52.334 1.036 18214 5943 1 19 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.570 -1.050 18214 5944 1 19 . 1 1 6 6 ASN H H 6 8.320 8.320 8.361 -0.041 18214 5945 1 19 . 1 1 7 7 THR N N 7 114.228 114.228 112.207 2.021 18214 5946 1 19 . 1 1 7 7 THR HA H 7 4.179 4.179 4.358 -0.179 18214 5947 1 19 . 1 1 7 7 THR C C 7 174.476 174.476 174.408 0.068 18214 5948 1 19 . 1 1 7 7 THR CA C 7 62.340 62.340 61.788 0.552 18214 5949 1 19 . 1 1 7 7 THR CB C 7 69.650 69.650 69.474 0.176 18214 5950 1 19 . 1 1 7 7 THR H H 7 8.111 8.111 8.198 -0.087 18214 5951 1 19 . 1 1 8 8 GLU N N 8 122.962 122.962 121.333 1.629 18214 5952 1 19 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.246 -0.023 18214 5953 1 19 . 1 1 8 8 GLU C C 8 176.020 176.020 175.530 0.490 18214 5954 1 19 . 1 1 8 8 GLU CA C 8 56.230 56.230 56.816 -0.586 18214 5955 1 19 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.040 0.220 18214 5956 1 19 . 1 1 8 8 GLU H H 8 8.256 8.256 8.536 -0.280 18214 5957 1 19 . 1 1 9 9 LEU N N 9 124.766 124.766 125.995 -1.229 18214 5958 1 19 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.673 -0.190 18214 5959 1 19 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.170 -0.000 18214 5960 1 19 . 1 1 9 9 LEU CB C 9 41.590 41.590 40.913 0.677 18214 5961 1 19 . 1 1 9 9 LEU H H 9 8.130 8.130 8.306 -0.176 18214 5962 1 19 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.528 -0.236 18214 5963 1 19 . 1 1 10 10 PRO C C 10 176.337 176.337 176.250 0.087 18214 5964 1 19 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.377 0.473 18214 5965 1 19 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.413 -0.493 18214 5966 1 19 . 1 1 11 11 HIS N N 11 120.147 120.147 117.744 2.403 18214 5967 1 19 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.501 0.324 18214 5968 1 19 . 1 1 11 11 HIS CA C 11 53.430 53.430 55.499 -2.070 18214 5969 1 19 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.675 -0.305 18214 5970 1 19 . 1 1 11 11 HIS H H 11 8.329 8.329 8.455 -0.126 18214 5971 1 19 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.663 -0.336 18214 5972 1 19 . 1 1 12 12 PRO C C 12 176.731 176.731 175.799 0.932 18214 5973 1 19 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.439 0.751 18214 5974 1 19 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.967 -0.857 18214 5975 1 19 . 1 1 13 13 LYS N N 13 121.927 121.927 119.248 2.679 18214 5976 1 19 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.388 -0.187 18214 5977 1 19 . 1 1 13 13 LYS C C 13 176.622 176.622 175.711 0.911 18214 5978 1 19 . 1 1 13 13 LYS CA C 13 56.600 56.600 55.635 0.965 18214 5979 1 19 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.213 -0.193 18214 5980 1 19 . 1 1 13 13 LYS H H 13 8.472 8.472 8.182 0.290 18214 5981 1 19 . 1 1 14 14 GLU N N 14 122.532 122.532 121.012 1.520 18214 5982 1 19 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.157 0.048 18214 5983 1 19 . 1 1 14 14 GLU C C 14 176.326 176.326 176.467 -0.141 18214 5984 1 19 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.540 0.030 18214 5985 1 19 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.092 1.008 18214 5986 1 19 . 1 1 14 14 GLU H H 14 8.442 8.442 8.534 -0.092 18214 5987 1 19 . 1 1 15 15 ILE N N 15 121.207 121.207 127.379 -6.172 18214 5988 1 19 . 1 1 15 15 ILE HA H 15 4.067 4.067 3.741 0.326 18214 5989 1 19 . 1 1 15 15 ILE C C 15 175.680 175.680 176.217 -0.537 18214 5990 1 19 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.753 -0.793 18214 5991 1 19 . 1 1 15 15 ILE CB C 15 38.850 38.850 36.107 2.743 18214 5992 1 19 . 1 1 15 15 ILE H H 15 8.068 8.068 8.600 -0.532 18214 5993 1 19 . 1 1 16 16 ASP N N 16 124.246 124.246 126.848 -2.602 18214 5994 1 19 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.140 0.384 18214 5995 1 19 . 1 1 16 16 ASP C C 16 175.965 175.965 175.579 0.386 18214 5996 1 19 . 1 1 16 16 ASP CA C 16 54.550 54.550 56.784 -2.234 18214 5997 1 19 . 1 1 16 16 ASP CB C 16 40.970 40.970 40.160 0.810 18214 5998 1 19 . 1 1 16 16 ASP H H 16 8.284 8.284 8.539 -0.255 18214 5999 1 19 . 1 1 17 17 ASN N N 17 119.667 119.667 119.364 0.303 18214 6000 1 19 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.767 -0.190 18214 6001 1 19 . 1 1 17 17 ASN C C 17 175.417 175.417 173.739 1.678 18214 6002 1 19 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.172 0.518 18214 6003 1 19 . 1 1 17 17 ASN CB C 17 38.800 38.800 39.533 -0.733 18214 6004 1 19 . 1 1 17 17 ASN H H 17 8.317 8.317 8.320 -0.003 18214 6005 1 19 . 1 1 18 18 GLU N N 18 120.842 120.842 121.502 -0.660 18214 6006 1 19 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.505 -0.308 18214 6007 1 19 . 1 1 18 18 GLU C C 18 176.704 176.704 175.998 0.706 18214 6008 1 19 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.076 0.694 18214 6009 1 19 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.925 0.175 18214 6010 1 19 . 1 1 18 18 GLU H H 18 8.407 8.407 8.231 0.176 18214 6011 1 19 . 1 1 19 19 THR N N 19 115.248 115.248 118.048 -2.800 18214 6012 1 19 . 1 1 19 19 THR HA H 19 4.177 4.177 4.246 -0.069 18214 6013 1 19 . 1 1 19 19 THR C C 19 174.186 174.186 175.550 -1.364 18214 6014 1 19 . 1 1 19 19 THR CA C 19 62.250 62.250 61.848 0.402 18214 6015 1 19 . 1 1 19 19 THR CB C 19 69.650 69.650 69.602 0.049 18214 6016 1 19 . 1 1 19 19 THR H H 19 8.074 8.074 8.369 -0.295 18214 6017 1 19 . 1 1 20 20 LEU N N 20 124.826 124.826 121.120 3.706 18214 6018 1 19 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.462 -0.198 18214 6019 1 19 . 1 1 20 20 LEU C C 20 176.698 176.698 177.116 -0.418 18214 6020 1 19 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.176 0.404 18214 6021 1 19 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.111 -0.001 18214 6022 1 19 . 1 1 20 20 LEU H H 20 8.074 8.074 8.030 0.044 18214 6023 1 19 . 1 1 21 21 LEU N N 21 124.466 124.466 121.567 2.899 18214 6024 1 19 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.397 0.115 18214 6025 1 19 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.634 -1.054 18214 6026 1 19 . 1 1 21 21 LEU CB C 21 41.860 41.860 40.406 1.454 18214 6027 1 19 . 1 1 21 21 LEU H H 21 8.088 8.088 8.179 -0.091 18214 6028 1 19 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.536 -0.244 18214 6029 1 19 . 1 1 22 22 PRO C C 22 176.540 176.540 176.652 -0.112 18214 6030 1 19 . 1 1 22 22 PRO CA C 22 62.910 62.910 62.302 0.608 18214 6031 1 19 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.153 -0.023 18214 6032 1 19 . 1 1 23 23 ALA N N 23 124.451 124.451 124.074 0.377 18214 6033 1 19 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.201 -0.043 18214 6034 1 19 . 1 1 23 23 ALA C C 23 177.005 177.005 176.302 0.703 18214 6035 1 19 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.167 -0.937 18214 6036 1 19 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.326 -0.016 18214 6037 1 19 . 1 1 23 23 ALA H H 23 8.314 8.314 8.545 -0.231 18214 6038 1 19 . 1 1 24 24 ALA N N 24 121.792 121.792 118.688 3.104 18214 6039 1 19 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.459 -0.203 18214 6040 1 19 . 1 1 24 24 ALA C C 24 177.065 177.065 174.836 2.229 18214 6041 1 19 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.777 0.073 18214 6042 1 19 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.875 -0.575 18214 6043 1 19 . 1 1 24 24 ALA H H 24 7.994 7.994 7.813 0.181 18214 6044 1 19 . 1 1 25 25 GLU N N 25 120.287 120.287 119.775 0.512 18214 6045 1 19 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.397 -0.271 18214 6046 1 19 . 1 1 25 25 GLU C C 25 176.233 176.233 176.127 0.106 18214 6047 1 19 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.605 1.205 18214 6048 1 19 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.999 0.241 18214 6049 1 19 . 1 1 25 25 GLU H H 25 8.404 8.404 8.599 -0.195 18214 6050 1 19 . 1 1 26 26 ARG N N 26 123.246 123.246 122.366 0.880 18214 6051 1 19 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.332 0.003 18214 6052 1 19 . 1 1 26 26 ARG C C 26 174.514 174.514 175.486 -0.972 18214 6053 1 19 . 1 1 26 26 ARG CA C 26 56.180 56.180 54.772 1.408 18214 6054 1 19 . 1 1 26 26 ARG CB C 26 31.340 31.340 29.300 2.039 18214 6055 1 19 . 1 1 26 26 ARG H H 26 8.598 8.598 8.051 0.547 18214 6056 1 19 . 1 1 27 27 ARG N N 27 123.563 123.563 126.914 -3.351 18214 6057 1 19 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.601 0.843 18214 6058 1 19 . 1 1 27 27 ARG C C 27 175.308 175.308 176.406 -1.098 18214 6059 1 19 . 1 1 27 27 ARG CA C 27 54.170 54.170 55.900 -1.730 18214 6060 1 19 . 1 1 27 27 ARG CB C 27 34.500 34.500 28.912 5.588 18214 6061 1 19 . 1 1 27 27 ARG H H 27 8.230 8.230 8.173 0.057 18214 6062 1 19 . 1 1 28 28 VAL N N 28 120.927 120.927 119.703 1.224 18214 6063 1 19 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.609 -0.174 18214 6064 1 19 . 1 1 28 28 VAL C C 28 173.178 173.178 175.162 -1.984 18214 6065 1 19 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.292 0.498 18214 6066 1 19 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.349 0.161 18214 6067 1 19 . 1 1 28 28 VAL H H 28 9.062 9.062 8.329 0.733 18214 6068 1 19 . 1 1 29 29 ASN N N 29 124.526 124.526 117.875 6.651 18214 6069 1 19 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.881 0.272 18214 6070 1 19 . 1 1 29 29 ASN C C 29 177.848 177.848 177.152 0.696 18214 6071 1 19 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.738 -0.578 18214 6072 1 19 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.686 1.404 18214 6073 1 19 . 1 1 29 29 ASN H H 29 8.779 8.779 8.553 0.226 18214 6074 1 19 . 1 1 30 30 SER N N 30 123.081 123.081 116.448 6.633 18214 6075 1 19 . 1 1 30 30 SER HA H 30 3.730 3.730 4.139 -0.409 18214 6076 1 19 . 1 1 30 30 SER C C 30 175.833 175.833 176.310 -0.477 18214 6077 1 19 . 1 1 30 30 SER CA C 30 62.010 62.010 60.786 1.224 18214 6078 1 19 . 1 1 30 30 SER CB C 30 60.920 60.920 63.022 -2.102 18214 6079 1 19 . 1 1 30 30 SER H H 30 9.338 9.338 8.529 0.809 18214 6080 1 19 . 1 1 31 31 GLN N N 31 122.307 122.307 119.878 2.429 18214 6081 1 19 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.138 -0.105 18214 6082 1 19 . 1 1 31 31 GLN C C 31 177.569 177.569 176.374 1.195 18214 6083 1 19 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.172 0.578 18214 6084 1 19 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.516 -0.706 18214 6085 1 19 . 1 1 31 31 GLN H H 31 8.938 8.938 8.753 0.185 18214 6086 1 19 . 1 1 32 32 ALA N N 32 119.987 119.987 120.579 -0.592 18214 6087 1 19 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.616 -0.388 18214 6088 1 19 . 1 1 32 32 ALA C C 32 177.908 177.908 177.985 -0.077 18214 6089 1 19 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.974 2.037 18214 6090 1 19 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.814 0.076 18214 6091 1 19 . 1 1 32 32 ALA H H 32 7.477 7.477 7.470 0.007 18214 6092 1 19 . 1 1 33 33 LEU N N 33 117.867 117.867 116.521 1.346 18214 6093 1 19 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.024 0.098 18214 6094 1 19 . 1 1 33 33 LEU C C 33 176.348 176.348 176.384 -0.036 18214 6095 1 19 . 1 1 33 33 LEU CA C 33 56.280 56.280 56.964 -0.684 18214 6096 1 19 . 1 1 33 33 LEU CB C 33 44.670 44.670 41.964 2.707 18214 6097 1 19 . 1 1 33 33 LEU H H 33 7.269 7.269 7.428 -0.160 18214 6098 1 19 . 1 1 34 34 LEU N N 34 114.642 114.642 114.091 0.551 18214 6099 1 19 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.562 -0.862 18214 6100 1 19 . 1 1 34 34 LEU C C 34 177.870 177.870 177.859 0.011 18214 6101 1 19 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.194 1.206 18214 6102 1 19 . 1 1 34 34 LEU CB C 34 42.350 42.350 44.014 -1.664 18214 6103 1 19 . 1 1 34 34 LEU H H 34 7.915 7.915 7.555 0.360 18214 6104 1 19 . 1 1 35 35 GLY N N 35 104.529 104.529 107.697 -3.168 18214 6105 1 19 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.273 -0.663 18214 6106 1 19 . 1 1 35 35 GLY H H 35 7.650 7.650 8.067 -0.417 18214 6107 1 19 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.457 -0.134 18214 6108 1 19 . 1 1 36 36 PRO C C 36 177.043 177.043 176.298 0.745 18214 6109 1 19 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.202 0.478 18214 6110 1 19 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.854 -0.294 18214 6111 1 19 . 1 1 37 37 ASP N N 37 115.648 115.648 119.880 -4.232 18214 6112 1 19 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.549 -0.053 18214 6113 1 19 . 1 1 37 37 ASP C C 37 177.279 177.279 177.802 -0.523 18214 6114 1 19 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.814 -1.604 18214 6115 1 19 . 1 1 37 37 ASP CB C 37 40.190 40.190 40.945 -0.755 18214 6116 1 19 . 1 1 37 37 ASP H H 37 8.500 8.500 8.090 0.410 18214 6117 1 19 . 1 1 38 38 GLY N N 38 107.249 107.249 106.521 0.728 18214 6118 1 19 . 1 1 38 38 GLY C C 38 172.445 172.445 173.250 -0.805 18214 6119 1 19 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.600 1.520 18214 6120 1 19 . 1 1 38 38 GLY H H 38 8.084 8.084 8.164 -0.080 18214 6121 1 19 . 1 1 39 39 LYS N N 39 115.188 115.188 118.200 -3.012 18214 6122 1 19 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.208 0.181 18214 6123 1 19 . 1 1 39 39 LYS C C 39 175.182 175.182 174.523 0.659 18214 6124 1 19 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.133 -0.223 18214 6125 1 19 . 1 1 39 39 LYS CB C 39 36.880 36.880 34.229 2.651 18214 6126 1 19 . 1 1 39 39 LYS H H 39 7.244 7.244 7.533 -0.289 18214 6127 1 19 . 1 1 40 40 VAL N N 40 120.767 120.767 116.353 4.414 18214 6128 1 19 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.757 -0.395 18214 6129 1 19 . 1 1 40 40 VAL C C 40 171.344 171.344 173.973 -2.629 18214 6130 1 19 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.530 1.810 18214 6131 1 19 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.824 -0.694 18214 6132 1 19 . 1 1 40 40 VAL H H 40 8.914 8.914 8.713 0.201 18214 6133 1 19 . 1 1 41 41 ILE N N 41 127.866 127.866 120.759 7.107 18214 6134 1 19 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.569 0.160 18214 6135 1 19 . 1 1 41 41 ILE C C 41 175.237 175.237 175.822 -0.585 18214 6136 1 19 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.258 -0.348 18214 6137 1 19 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.656 0.544 18214 6138 1 19 . 1 1 41 41 ILE H H 41 8.114 8.114 8.075 0.039 18214 6139 1 19 . 1 1 42 42 ILE N N 42 126.986 126.986 129.634 -2.648 18214 6140 1 19 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.124 0.676 18214 6141 1 19 . 1 1 42 42 ILE C C 42 175.187 175.187 174.648 0.539 18214 6142 1 19 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.340 -2.510 18214 6143 1 19 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.325 1.485 18214 6144 1 19 . 1 1 42 42 ILE H H 42 9.249 9.249 9.021 0.228 18214 6145 1 19 . 1 1 43 43 ASP N N 43 127.951 127.951 128.568 -0.617 18214 6146 1 19 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.847 0.124 18214 6147 1 19 . 1 1 43 43 ASP C C 43 175.505 175.505 174.456 1.049 18214 6148 1 19 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.480 0.490 18214 6149 1 19 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.511 -0.301 18214 6150 1 19 . 1 1 43 43 ASP H H 43 8.800 8.800 8.517 0.283 18214 6151 1 19 . 1 1 44 44 HIS N N 44 126.451 126.451 126.312 0.139 18214 6152 1 19 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.820 0.376 18214 6153 1 19 . 1 1 44 44 HIS C C 44 174.492 174.492 174.208 0.284 18214 6154 1 19 . 1 1 44 44 HIS CA C 44 54.660 54.660 55.848 -1.188 18214 6155 1 19 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.404 1.496 18214 6156 1 19 . 1 1 44 44 HIS H H 44 9.194 9.194 8.653 0.541 18214 6157 1 19 . 1 1 45 45 ASN N N 45 126.311 126.311 126.361 -0.050 18214 6158 1 19 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.287 -0.147 18214 6159 1 19 . 1 1 45 45 ASN C C 45 174.892 174.892 175.196 -0.304 18214 6160 1 19 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.340 0.320 18214 6161 1 19 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.884 -0.694 18214 6162 1 19 . 1 1 45 45 ASN H H 45 9.057 9.057 9.005 0.052 18214 6163 1 19 . 1 1 46 46 GLY N N 46 105.469 105.469 104.011 1.458 18214 6164 1 19 . 1 1 46 46 GLY C C 46 173.945 173.945 174.623 -0.678 18214 6165 1 19 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.107 0.333 18214 6166 1 19 . 1 1 46 46 GLY H H 46 8.686 8.686 8.680 0.006 18214 6167 1 19 . 1 1 47 47 GLN N N 47 120.007 120.007 120.522 -0.515 18214 6168 1 19 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.353 0.116 18214 6169 1 19 . 1 1 47 47 GLN C C 47 174.656 174.656 174.065 0.591 18214 6170 1 19 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.040 -0.890 18214 6171 1 19 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.273 0.797 18214 6172 1 19 . 1 1 47 47 GLN H H 47 7.841 7.841 7.743 0.098 18214 6173 1 19 . 1 1 48 48 GLU N N 48 123.081 123.081 118.531 4.550 18214 6174 1 19 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.268 -0.529 18214 6175 1 19 . 1 1 48 48 GLU C C 48 175.877 175.877 175.016 0.861 18214 6176 1 19 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.349 1.821 18214 6177 1 19 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.546 -1.816 18214 6178 1 19 . 1 1 48 48 GLU H H 48 8.505 8.505 8.233 0.272 18214 6179 1 19 . 1 1 49 49 TYR N N 49 124.226 124.226 119.585 4.641 18214 6180 1 19 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.759 0.001 18214 6181 1 19 . 1 1 49 49 TYR C C 49 174.098 174.098 174.512 -0.414 18214 6182 1 19 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.872 0.988 18214 6183 1 19 . 1 1 49 49 TYR CB C 49 41.520 41.520 41.146 0.374 18214 6184 1 19 . 1 1 49 49 TYR H H 49 9.086 9.086 8.259 0.827 18214 6185 1 19 . 1 1 50 50 LEU N N 50 123.506 123.506 125.621 -2.115 18214 6186 1 19 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.942 -0.101 18214 6187 1 19 . 1 1 50 50 LEU C C 50 174.459 174.459 174.994 -0.535 18214 6188 1 19 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.629 -0.789 18214 6189 1 19 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.285 1.645 18214 6190 1 19 . 1 1 50 50 LEU H H 50 9.147 9.147 8.684 0.463 18214 6191 1 19 . 1 1 51 51 LEU N N 51 129.785 129.785 129.809 -0.024 18214 6192 1 19 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.413 -0.180 18214 6193 1 19 . 1 1 51 51 LEU C C 51 174.246 174.246 174.309 -0.063 18214 6194 1 19 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.830 0.110 18214 6195 1 19 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.016 -1.126 18214 6196 1 19 . 1 1 51 51 LEU H H 51 8.803 8.803 8.898 -0.095 18214 6197 1 19 . 1 1 52 52 ARG N N 52 121.867 121.867 124.448 -2.581 18214 6198 1 19 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.245 0.047 18214 6199 1 19 . 1 1 52 52 ARG C C 52 173.561 173.561 175.310 -1.749 18214 6200 1 19 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.618 -0.398 18214 6201 1 19 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.629 0.931 18214 6202 1 19 . 1 1 52 52 ARG H H 52 8.740 8.740 8.664 0.076 18214 6203 1 19 . 1 1 53 53 LYS N N 53 118.467 118.467 126.093 -7.626 18214 6204 1 19 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.796 0.364 18214 6205 1 19 . 1 1 53 53 LYS C C 53 176.879 176.879 176.790 0.089 18214 6206 1 19 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.074 -2.414 18214 6207 1 19 . 1 1 53 53 LYS CB C 53 33.800 33.800 31.947 1.853 18214 6208 1 19 . 1 1 53 53 LYS H H 53 7.912 7.912 8.533 -0.621 18214 6209 1 19 . 1 1 54 54 THR N N 54 114.428 114.428 117.965 -3.537 18214 6210 1 19 . 1 1 54 54 THR HA H 54 4.703 4.703 4.292 0.411 18214 6211 1 19 . 1 1 54 54 THR CA C 54 59.430 59.430 62.285 -2.855 18214 6212 1 19 . 1 1 54 54 THR CB C 54 71.730 71.730 70.368 1.362 18214 6213 1 19 . 1 1 54 54 THR H H 54 8.753 8.753 8.362 0.391 18214 6214 1 19 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.253 0.102 18214 6215 1 19 . 1 1 56 56 ALA C C 56 177.569 177.569 177.688 -0.119 18214 6216 1 19 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.398 -0.368 18214 6217 1 19 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.730 0.171 18214 6218 1 19 . 1 1 57 57 GLY N N 57 106.509 106.509 105.389 1.120 18214 6219 1 19 . 1 1 57 57 GLY C C 57 174.678 174.678 173.765 0.913 18214 6220 1 19 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.743 0.857 18214 6221 1 19 . 1 1 57 57 GLY H H 57 7.961 7.961 7.879 0.082 18214 6222 1 19 . 1 1 58 58 LYS N N 58 118.787 118.787 118.822 -0.035 18214 6223 1 19 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.653 -0.025 18214 6224 1 19 . 1 1 58 58 LYS C C 58 174.755 174.755 175.028 -0.273 18214 6225 1 19 . 1 1 58 58 LYS CA C 58 54.660 54.660 53.994 0.666 18214 6226 1 19 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.255 -2.305 18214 6227 1 19 . 1 1 58 58 LYS H H 58 7.064 7.064 7.851 -0.787 18214 6228 1 19 . 1 1 59 59 LEU N N 59 117.082 117.082 120.431 -3.349 18214 6229 1 19 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.000 -0.220 18214 6230 1 19 . 1 1 59 59 LEU C C 59 174.903 174.903 176.396 -1.493 18214 6231 1 19 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.639 -0.519 18214 6232 1 19 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.357 0.733 18214 6233 1 19 . 1 1 59 59 LEU H H 59 6.661 6.661 8.328 -1.667 18214 6234 1 19 . 1 1 60 60 LEU N N 60 121.360 121.360 125.945 -4.585 18214 6235 1 19 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.644 -0.289 18214 6236 1 19 . 1 1 60 60 LEU C C 60 174.005 174.005 174.569 -0.564 18214 6237 1 19 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.351 -0.521 18214 6238 1 19 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.830 2.210 18214 6239 1 19 . 1 1 60 60 LEU H H 60 8.457 8.457 8.578 -0.121 18214 6240 1 19 . 1 1 61 61 LEU N N 61 127.886 127.886 129.422 -1.536 18214 6241 1 19 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.797 0.649 18214 6242 1 19 . 1 1 61 61 LEU C C 61 175.910 175.910 176.439 -0.529 18214 6243 1 19 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.178 -0.898 18214 6244 1 19 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.315 4.655 18214 6245 1 19 . 1 1 61 61 LEU H H 61 8.556 8.556 8.664 -0.108 18214 6246 1 19 . 1 1 62 62 THR N N 62 120.607 120.607 120.329 0.278 18214 6247 1 19 . 1 1 62 62 THR HA H 62 4.749 4.749 4.847 -0.098 18214 6248 1 19 . 1 1 62 62 THR C C 62 171.903 171.903 172.988 -1.085 18214 6249 1 19 . 1 1 62 62 THR CA C 62 60.240 60.240 60.895 -0.655 18214 6250 1 19 . 1 1 62 62 THR CB C 62 71.970 71.970 70.811 1.159 18214 6251 1 19 . 1 1 62 62 THR H H 62 9.281 9.281 9.159 0.122 18214 6252 1 20 . 1 1 3 3 ARG HA H 3 4.286 4.286 4.554 -0.268 18214 6253 1 20 . 1 1 3 3 ARG C C 3 176.261 176.261 175.925 0.336 18214 6254 1 20 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.535 -0.305 18214 6255 1 20 . 1 1 3 3 ARG CB C 3 30.760 30.760 31.113 -0.353 18214 6256 1 20 . 1 1 4 4 MET N N 4 121.127 121.127 121.759 -0.632 18214 6257 1 20 . 1 1 4 4 MET HA H 4 4.392 4.392 4.646 -0.254 18214 6258 1 20 . 1 1 4 4 MET C C 4 175.779 175.779 174.600 1.179 18214 6259 1 20 . 1 1 4 4 MET CA C 4 55.440 55.440 54.841 0.599 18214 6260 1 20 . 1 1 4 4 MET CB C 4 32.820 32.820 33.947 -1.127 18214 6261 1 20 . 1 1 4 4 MET H H 4 8.318 8.318 8.178 0.140 18214 6262 1 20 . 1 1 5 5 ASP N N 5 121.087 121.087 121.185 -0.098 18214 6263 1 20 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.775 -0.253 18214 6264 1 20 . 1 1 5 5 ASP C C 5 175.850 175.850 174.509 1.341 18214 6265 1 20 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.072 0.149 18214 6266 1 20 . 1 1 5 5 ASP CB C 5 41.200 41.200 42.426 -1.226 18214 6267 1 20 . 1 1 5 5 ASP H H 5 8.247 8.247 8.322 -0.075 18214 6268 1 20 . 1 1 6 6 ASN N N 6 119.267 119.267 116.910 2.357 18214 6269 1 20 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.822 -0.158 18214 6270 1 20 . 1 1 6 6 ASN C C 6 175.478 175.478 173.913 1.565 18214 6271 1 20 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.393 -0.023 18214 6272 1 20 . 1 1 6 6 ASN CB C 6 38.520 38.520 40.855 -2.334 18214 6273 1 20 . 1 1 6 6 ASN H H 6 8.320 8.320 8.432 -0.112 18214 6274 1 20 . 1 1 7 7 THR N N 7 114.228 114.228 114.299 -0.071 18214 6275 1 20 . 1 1 7 7 THR HA H 7 4.179 4.179 4.420 -0.241 18214 6276 1 20 . 1 1 7 7 THR C C 7 174.476 174.476 174.298 0.178 18214 6277 1 20 . 1 1 7 7 THR CA C 7 62.340 62.340 62.708 -0.368 18214 6278 1 20 . 1 1 7 7 THR CB C 7 69.650 69.650 68.984 0.666 18214 6279 1 20 . 1 1 7 7 THR H H 7 8.111 8.111 8.407 -0.296 18214 6280 1 20 . 1 1 8 8 GLU N N 8 122.962 122.962 126.207 -3.245 18214 6281 1 20 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.608 -0.385 18214 6282 1 20 . 1 1 8 8 GLU C C 8 176.020 176.020 175.396 0.624 18214 6283 1 20 . 1 1 8 8 GLU CA C 8 56.230 56.230 54.974 1.256 18214 6284 1 20 . 1 1 8 8 GLU CB C 8 30.260 30.260 31.522 -1.262 18214 6285 1 20 . 1 1 8 8 GLU H H 8 8.256 8.256 8.619 -0.363 18214 6286 1 20 . 1 1 9 9 LEU N N 9 124.766 124.766 121.332 3.434 18214 6287 1 20 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.145 0.338 18214 6288 1 20 . 1 1 9 9 LEU CA C 9 53.170 53.170 54.163 -0.993 18214 6289 1 20 . 1 1 9 9 LEU CB C 9 41.590 41.590 40.740 0.850 18214 6290 1 20 . 1 1 9 9 LEU H H 9 8.130 8.130 8.631 -0.501 18214 6291 1 20 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.453 -0.161 18214 6292 1 20 . 1 1 10 10 PRO C C 10 176.337 176.337 176.011 0.326 18214 6293 1 20 . 1 1 10 10 PRO CA C 10 62.850 62.850 63.032 -0.182 18214 6294 1 20 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.240 -0.320 18214 6295 1 20 . 1 1 11 11 HIS N N 11 120.147 120.147 121.870 -1.723 18214 6296 1 20 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.668 0.157 18214 6297 1 20 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.664 -1.234 18214 6298 1 20 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.344 0.026 18214 6299 1 20 . 1 1 11 11 HIS H H 11 8.329 8.329 8.318 0.011 18214 6300 1 20 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.432 -0.105 18214 6301 1 20 . 1 1 12 12 PRO C C 12 176.731 176.731 176.662 0.069 18214 6302 1 20 . 1 1 12 12 PRO CA C 12 63.190 63.190 63.012 0.178 18214 6303 1 20 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.668 -0.558 18214 6304 1 20 . 1 1 13 13 LYS N N 13 121.927 121.927 123.703 -1.776 18214 6305 1 20 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.330 -0.129 18214 6306 1 20 . 1 1 13 13 LYS C C 13 176.622 176.622 175.938 0.684 18214 6307 1 20 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.135 0.465 18214 6308 1 20 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.080 -0.060 18214 6309 1 20 . 1 1 13 13 LYS H H 13 8.472 8.472 8.359 0.113 18214 6310 1 20 . 1 1 14 14 GLU N N 14 122.532 122.532 118.527 4.005 18214 6311 1 20 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.155 0.050 18214 6312 1 20 . 1 1 14 14 GLU C C 14 176.326 176.326 175.653 0.673 18214 6313 1 20 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.571 -0.001 18214 6314 1 20 . 1 1 14 14 GLU CB C 14 30.100 30.100 30.015 0.085 18214 6315 1 20 . 1 1 14 14 GLU H H 14 8.442 8.442 8.032 0.410 18214 6316 1 20 . 1 1 15 15 ILE N N 15 121.207 121.207 126.790 -5.583 18214 6317 1 20 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.049 0.018 18214 6318 1 20 . 1 1 15 15 ILE C C 15 175.680 175.680 175.201 0.479 18214 6319 1 20 . 1 1 15 15 ILE CA C 15 60.960 60.960 60.910 0.050 18214 6320 1 20 . 1 1 15 15 ILE CB C 15 38.850 38.850 36.649 2.201 18214 6321 1 20 . 1 1 15 15 ILE H H 15 8.068 8.068 8.628 -0.560 18214 6322 1 20 . 1 1 16 16 ASP N N 16 124.246 124.246 123.425 0.821 18214 6323 1 20 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.342 0.182 18214 6324 1 20 . 1 1 16 16 ASP C C 16 175.965 175.965 175.040 0.925 18214 6325 1 20 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.672 -0.122 18214 6326 1 20 . 1 1 16 16 ASP CB C 16 40.970 40.970 42.124 -1.154 18214 6327 1 20 . 1 1 16 16 ASP H H 16 8.284 8.284 7.965 0.319 18214 6328 1 20 . 1 1 17 17 ASN N N 17 119.667 119.667 121.411 -1.744 18214 6329 1 20 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.722 -0.145 18214 6330 1 20 . 1 1 17 17 ASN C C 17 175.417 175.417 174.787 0.630 18214 6331 1 20 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.492 0.198 18214 6332 1 20 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.389 0.411 18214 6333 1 20 . 1 1 17 17 ASN H H 17 8.317 8.317 8.614 -0.297 18214 6334 1 20 . 1 1 18 18 GLU N N 18 120.842 120.842 123.156 -2.314 18214 6335 1 20 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.599 -0.402 18214 6336 1 20 . 1 1 18 18 GLU C C 18 176.704 176.704 175.972 0.732 18214 6337 1 20 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.256 0.514 18214 6338 1 20 . 1 1 18 18 GLU CB C 18 30.100 30.100 31.455 -1.355 18214 6339 1 20 . 1 1 18 18 GLU H H 18 8.407 8.407 8.028 0.379 18214 6340 1 20 . 1 1 19 19 THR N N 19 115.248 115.248 115.220 0.028 18214 6341 1 20 . 1 1 19 19 THR HA H 19 4.177 4.177 4.503 -0.326 18214 6342 1 20 . 1 1 19 19 THR C C 19 174.186 174.186 173.669 0.517 18214 6343 1 20 . 1 1 19 19 THR CA C 19 62.250 62.250 61.633 0.617 18214 6344 1 20 . 1 1 19 19 THR CB C 19 69.650 69.650 69.454 0.196 18214 6345 1 20 . 1 1 19 19 THR H H 19 8.074 8.074 8.267 -0.193 18214 6346 1 20 . 1 1 20 20 LEU N N 20 124.826 124.826 124.334 0.492 18214 6347 1 20 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.635 -0.371 18214 6348 1 20 . 1 1 20 20 LEU C C 20 176.698 176.698 175.568 1.130 18214 6349 1 20 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.385 0.195 18214 6350 1 20 . 1 1 20 20 LEU CB C 20 42.110 42.110 43.002 -0.892 18214 6351 1 20 . 1 1 20 20 LEU H H 20 8.074 8.074 8.429 -0.355 18214 6352 1 20 . 1 1 21 21 LEU N N 21 124.466 124.466 123.017 1.449 18214 6353 1 20 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.718 -0.206 18214 6354 1 20 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.171 -0.591 18214 6355 1 20 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.275 0.585 18214 6356 1 20 . 1 1 21 21 LEU H H 21 8.088 8.088 8.350 -0.262 18214 6357 1 20 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.382 -0.090 18214 6358 1 20 . 1 1 22 22 PRO C C 22 176.540 176.540 176.804 -0.264 18214 6359 1 20 . 1 1 22 22 PRO CA C 22 62.910 62.910 64.279 -1.369 18214 6360 1 20 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.356 -0.226 18214 6361 1 20 . 1 1 23 23 ALA N N 23 124.451 124.451 118.544 5.907 18214 6362 1 20 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.316 -0.158 18214 6363 1 20 . 1 1 23 23 ALA C C 23 177.005 177.005 175.412 1.593 18214 6364 1 20 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.022 -0.792 18214 6365 1 20 . 1 1 23 23 ALA CB C 23 19.310 19.310 18.697 0.613 18214 6366 1 20 . 1 1 23 23 ALA H H 23 8.314 8.314 8.132 0.182 18214 6367 1 20 . 1 1 24 24 ALA N N 24 121.792 121.792 121.898 -0.106 18214 6368 1 20 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.462 -0.206 18214 6369 1 20 . 1 1 24 24 ALA C C 24 177.065 177.065 175.707 1.358 18214 6370 1 20 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.709 0.141 18214 6371 1 20 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.506 -0.206 18214 6372 1 20 . 1 1 24 24 ALA H H 24 7.994 7.994 7.862 0.132 18214 6373 1 20 . 1 1 25 25 GLU N N 25 120.287 120.287 124.244 -3.957 18214 6374 1 20 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.269 -0.143 18214 6375 1 20 . 1 1 25 25 GLU C C 25 176.233 176.233 175.300 0.933 18214 6376 1 20 . 1 1 25 25 GLU CA C 25 56.810 56.810 56.324 0.486 18214 6377 1 20 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.433 0.807 18214 6378 1 20 . 1 1 25 25 GLU H H 25 8.404 8.404 8.707 -0.303 18214 6379 1 20 . 1 1 26 26 ARG N N 26 123.246 123.246 123.877 -0.631 18214 6380 1 20 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.529 -0.194 18214 6381 1 20 . 1 1 26 26 ARG C C 26 174.514 174.514 174.471 0.043 18214 6382 1 20 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.087 1.093 18214 6383 1 20 . 1 1 26 26 ARG CB C 26 31.340 31.340 31.747 -0.407 18214 6384 1 20 . 1 1 26 26 ARG H H 26 8.598 8.598 7.729 0.869 18214 6385 1 20 . 1 1 27 27 ARG N N 27 123.563 123.563 126.962 -3.399 18214 6386 1 20 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.714 0.730 18214 6387 1 20 . 1 1 27 27 ARG C C 27 175.308 175.308 176.023 -0.715 18214 6388 1 20 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.228 -2.058 18214 6389 1 20 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.209 5.291 18214 6390 1 20 . 1 1 27 27 ARG H H 27 8.230 8.230 8.665 -0.435 18214 6391 1 20 . 1 1 28 28 VAL N N 28 120.927 120.927 119.953 0.974 18214 6392 1 20 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.612 -0.177 18214 6393 1 20 . 1 1 28 28 VAL C C 28 173.178 173.178 175.083 -1.905 18214 6394 1 20 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.189 0.601 18214 6395 1 20 . 1 1 28 28 VAL CB C 28 35.510 35.510 34.787 0.723 18214 6396 1 20 . 1 1 28 28 VAL H H 28 9.062 9.062 8.426 0.636 18214 6397 1 20 . 1 1 29 29 ASN N N 29 124.526 124.526 118.355 6.171 18214 6398 1 20 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.950 0.203 18214 6399 1 20 . 1 1 29 29 ASN C C 29 177.848 177.848 177.511 0.337 18214 6400 1 20 . 1 1 29 29 ASN CA C 29 53.160 53.160 54.085 -0.925 18214 6401 1 20 . 1 1 29 29 ASN CB C 29 40.090 40.090 38.868 1.222 18214 6402 1 20 . 1 1 29 29 ASN H H 29 8.779 8.779 8.565 0.214 18214 6403 1 20 . 1 1 30 30 SER N N 30 123.081 123.081 117.818 5.263 18214 6404 1 20 . 1 1 30 30 SER HA H 30 3.730 3.730 4.139 -0.409 18214 6405 1 20 . 1 1 30 30 SER C C 30 175.833 175.833 176.527 -0.694 18214 6406 1 20 . 1 1 30 30 SER CA C 30 62.010 62.010 61.985 0.025 18214 6407 1 20 . 1 1 30 30 SER CB C 30 60.920 60.920 63.186 -2.266 18214 6408 1 20 . 1 1 30 30 SER H H 30 9.338 9.338 8.593 0.745 18214 6409 1 20 . 1 1 31 31 GLN N N 31 122.307 122.307 122.214 0.093 18214 6410 1 20 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.126 -0.093 18214 6411 1 20 . 1 1 31 31 GLN C C 31 177.569 177.569 176.499 1.070 18214 6412 1 20 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.199 0.551 18214 6413 1 20 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.400 -0.590 18214 6414 1 20 . 1 1 31 31 GLN H H 31 8.938 8.938 8.724 0.214 18214 6415 1 20 . 1 1 32 32 ALA N N 32 119.987 119.987 120.770 -0.783 18214 6416 1 20 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.618 -0.390 18214 6417 1 20 . 1 1 32 32 ALA C C 32 177.908 177.908 177.816 0.092 18214 6418 1 20 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.959 2.051 18214 6419 1 20 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.694 0.196 18214 6420 1 20 . 1 1 32 32 ALA H H 32 7.477 7.477 7.568 -0.091 18214 6421 1 20 . 1 1 33 33 LEU N N 33 117.867 117.867 116.221 1.646 18214 6422 1 20 . 1 1 33 33 LEU HA H 33 4.122 4.122 4.040 0.082 18214 6423 1 20 . 1 1 33 33 LEU C C 33 176.348 176.348 176.788 -0.440 18214 6424 1 20 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.060 -0.781 18214 6425 1 20 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.014 2.656 18214 6426 1 20 . 1 1 33 33 LEU H H 33 7.269 7.269 7.364 -0.095 18214 6427 1 20 . 1 1 34 34 LEU N N 34 114.642 114.642 113.999 0.643 18214 6428 1 20 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.584 -0.884 18214 6429 1 20 . 1 1 34 34 LEU C C 34 177.870 177.870 177.886 -0.016 18214 6430 1 20 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.066 1.334 18214 6431 1 20 . 1 1 34 34 LEU CB C 34 42.350 42.350 44.040 -1.690 18214 6432 1 20 . 1 1 34 34 LEU H H 34 7.915 7.915 7.603 0.312 18214 6433 1 20 . 1 1 35 35 GLY N N 35 104.529 104.529 107.798 -3.269 18214 6434 1 20 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.332 -0.722 18214 6435 1 20 . 1 1 35 35 GLY H H 35 7.650 7.650 8.016 -0.366 18214 6436 1 20 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.486 -0.163 18214 6437 1 20 . 1 1 36 36 PRO C C 36 177.043 177.043 176.086 0.957 18214 6438 1 20 . 1 1 36 36 PRO CA C 36 64.680 64.680 63.883 0.798 18214 6439 1 20 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.904 -0.344 18214 6440 1 20 . 1 1 37 37 ASP N N 37 115.648 115.648 119.243 -3.595 18214 6441 1 20 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.663 -0.167 18214 6442 1 20 . 1 1 37 37 ASP C C 37 177.279 177.279 176.897 0.382 18214 6443 1 20 . 1 1 37 37 ASP CA C 37 53.210 53.210 55.077 -1.867 18214 6444 1 20 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.667 -1.478 18214 6445 1 20 . 1 1 37 37 ASP H H 37 8.500 8.500 7.789 0.711 18214 6446 1 20 . 1 1 38 38 GLY N N 38 107.249 107.249 106.628 0.621 18214 6447 1 20 . 1 1 38 38 GLY C C 38 172.445 172.445 173.343 -0.898 18214 6448 1 20 . 1 1 38 38 GLY CA C 38 47.120 47.120 46.212 0.908 18214 6449 1 20 . 1 1 38 38 GLY H H 38 8.084 8.084 8.234 -0.150 18214 6450 1 20 . 1 1 39 39 LYS N N 39 115.188 115.188 118.513 -3.325 18214 6451 1 20 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.443 -0.054 18214 6452 1 20 . 1 1 39 39 LYS C C 39 175.182 175.182 175.336 -0.154 18214 6453 1 20 . 1 1 39 39 LYS CA C 39 54.910 54.910 55.019 -0.109 18214 6454 1 20 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.730 3.150 18214 6455 1 20 . 1 1 39 39 LYS H H 39 7.244 7.244 7.353 -0.109 18214 6456 1 20 . 1 1 40 40 VAL N N 40 120.767 120.767 116.971 3.796 18214 6457 1 20 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.597 -0.235 18214 6458 1 20 . 1 1 40 40 VAL C C 40 171.344 171.344 173.545 -2.201 18214 6459 1 20 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.609 1.731 18214 6460 1 20 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.632 -0.502 18214 6461 1 20 . 1 1 40 40 VAL H H 40 8.914 8.914 8.619 0.295 18214 6462 1 20 . 1 1 41 41 ILE N N 41 127.866 127.866 120.407 7.459 18214 6463 1 20 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.633 0.096 18214 6464 1 20 . 1 1 41 41 ILE C C 41 175.237 175.237 175.981 -0.744 18214 6465 1 20 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.812 -0.902 18214 6466 1 20 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.083 1.117 18214 6467 1 20 . 1 1 41 41 ILE H H 41 8.114 8.114 8.062 0.052 18214 6468 1 20 . 1 1 42 42 ILE N N 42 126.986 126.986 129.229 -2.243 18214 6469 1 20 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.210 0.590 18214 6470 1 20 . 1 1 42 42 ILE C C 42 175.187 175.187 175.191 -0.004 18214 6471 1 20 . 1 1 42 42 ILE CA C 42 58.830 58.830 61.496 -2.666 18214 6472 1 20 . 1 1 42 42 ILE CB C 42 39.810 39.810 38.429 1.381 18214 6473 1 20 . 1 1 42 42 ILE H H 42 9.249 9.249 8.774 0.475 18214 6474 1 20 . 1 1 43 43 ASP N N 43 127.951 127.951 128.123 -0.172 18214 6475 1 20 . 1 1 43 43 ASP HA H 43 4.971 4.971 5.012 -0.041 18214 6476 1 20 . 1 1 43 43 ASP C C 43 175.505 175.505 174.265 1.240 18214 6477 1 20 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.238 0.732 18214 6478 1 20 . 1 1 43 43 ASP CB C 43 42.210 42.210 43.632 -1.422 18214 6479 1 20 . 1 1 43 43 ASP H H 43 8.800 8.800 8.584 0.216 18214 6480 1 20 . 1 1 44 44 HIS N N 44 126.451 126.451 126.136 0.315 18214 6481 1 20 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.842 0.354 18214 6482 1 20 . 1 1 44 44 HIS C C 44 174.492 174.492 174.221 0.271 18214 6483 1 20 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.391 -1.731 18214 6484 1 20 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.254 1.646 18214 6485 1 20 . 1 1 44 44 HIS H H 44 9.194 9.194 8.655 0.539 18214 6486 1 20 . 1 1 45 45 ASN N N 45 126.311 126.311 126.394 -0.083 18214 6487 1 20 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.286 -0.146 18214 6488 1 20 . 1 1 45 45 ASN C C 45 174.892 174.892 175.095 -0.203 18214 6489 1 20 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.879 -0.219 18214 6490 1 20 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.810 -0.620 18214 6491 1 20 . 1 1 45 45 ASN H H 45 9.057 9.057 9.041 0.016 18214 6492 1 20 . 1 1 46 46 GLY N N 46 105.469 105.469 103.691 1.778 18214 6493 1 20 . 1 1 46 46 GLY C C 46 173.945 173.945 174.114 -0.169 18214 6494 1 20 . 1 1 46 46 GLY CA C 46 45.440 45.440 44.922 0.518 18214 6495 1 20 . 1 1 46 46 GLY H H 46 8.686 8.686 8.542 0.144 18214 6496 1 20 . 1 1 47 47 GLN N N 47 120.007 120.007 122.099 -2.092 18214 6497 1 20 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.278 0.191 18214 6498 1 20 . 1 1 47 47 GLN C C 47 174.656 174.656 174.383 0.273 18214 6499 1 20 . 1 1 47 47 GLN CA C 47 54.150 54.150 55.135 -0.985 18214 6500 1 20 . 1 1 47 47 GLN CB C 47 31.070 31.070 29.561 1.509 18214 6501 1 20 . 1 1 47 47 GLN H H 47 7.841 7.841 7.753 0.088 18214 6502 1 20 . 1 1 48 48 GLU N N 48 123.081 123.081 121.606 1.475 18214 6503 1 20 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.106 -0.367 18214 6504 1 20 . 1 1 48 48 GLU C C 48 175.877 175.877 174.707 1.170 18214 6505 1 20 . 1 1 48 48 GLU CA C 48 56.170 56.170 53.973 2.197 18214 6506 1 20 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.254 -1.524 18214 6507 1 20 . 1 1 48 48 GLU H H 48 8.505 8.505 8.264 0.241 18214 6508 1 20 . 1 1 49 49 TYR N N 49 124.226 124.226 119.113 5.113 18214 6509 1 20 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.652 0.108 18214 6510 1 20 . 1 1 49 49 TYR C C 49 174.098 174.098 173.659 0.439 18214 6511 1 20 . 1 1 49 49 TYR CA C 49 56.860 56.860 56.107 0.753 18214 6512 1 20 . 1 1 49 49 TYR CB C 49 41.520 41.520 41.649 -0.129 18214 6513 1 20 . 1 1 49 49 TYR H H 49 9.086 9.086 8.521 0.565 18214 6514 1 20 . 1 1 50 50 LEU N N 50 123.506 123.506 122.014 1.492 18214 6515 1 20 . 1 1 50 50 LEU HA H 50 4.841 4.841 5.038 -0.197 18214 6516 1 20 . 1 1 50 50 LEU C C 50 174.459 174.459 174.662 -0.203 18214 6517 1 20 . 1 1 50 50 LEU CA C 50 53.840 53.840 53.666 0.174 18214 6518 1 20 . 1 1 50 50 LEU CB C 50 43.930 43.930 44.183 -0.253 18214 6519 1 20 . 1 1 50 50 LEU H H 50 9.147 9.147 8.869 0.278 18214 6520 1 20 . 1 1 51 51 LEU N N 51 129.785 129.785 129.112 0.673 18214 6521 1 20 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.180 0.053 18214 6522 1 20 . 1 1 51 51 LEU C C 51 174.246 174.246 174.077 0.169 18214 6523 1 20 . 1 1 51 51 LEU CA C 51 52.940 52.940 53.069 -0.130 18214 6524 1 20 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.326 -1.436 18214 6525 1 20 . 1 1 51 51 LEU H H 51 8.803 8.803 8.813 -0.010 18214 6526 1 20 . 1 1 52 52 ARG N N 52 121.867 121.867 124.625 -2.758 18214 6527 1 20 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.090 0.202 18214 6528 1 20 . 1 1 52 52 ARG C C 52 173.561 173.561 175.160 -1.599 18214 6529 1 20 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.492 -0.272 18214 6530 1 20 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.201 1.359 18214 6531 1 20 . 1 1 52 52 ARG H H 52 8.740 8.740 8.630 0.110 18214 6532 1 20 . 1 1 53 53 LYS N N 53 118.467 118.467 126.409 -7.942 18214 6533 1 20 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.699 0.461 18214 6534 1 20 . 1 1 53 53 LYS C C 53 176.879 176.879 176.656 0.223 18214 6535 1 20 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.117 -2.457 18214 6536 1 20 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.752 1.048 18214 6537 1 20 . 1 1 53 53 LYS H H 53 7.912 7.912 8.173 -0.261 18214 6538 1 20 . 1 1 54 54 THR N N 54 114.428 114.428 116.494 -2.066 18214 6539 1 20 . 1 1 54 54 THR HA H 54 4.703 4.703 4.410 0.293 18214 6540 1 20 . 1 1 54 54 THR CA C 54 59.430 59.430 61.117 -1.688 18214 6541 1 20 . 1 1 54 54 THR CB C 54 71.730 71.730 70.396 1.334 18214 6542 1 20 . 1 1 54 54 THR H H 54 8.753 8.753 8.210 0.543 18214 6543 1 20 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.301 0.054 18214 6544 1 20 . 1 1 56 56 ALA C C 56 177.569 177.569 177.983 -0.414 18214 6545 1 20 . 1 1 56 56 ALA CA C 56 52.030 52.030 51.944 0.086 18214 6546 1 20 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.619 0.281 18214 6547 1 20 . 1 1 57 57 GLY N N 57 106.509 106.509 106.486 0.023 18214 6548 1 20 . 1 1 57 57 GLY C C 57 174.678 174.678 174.099 0.579 18214 6549 1 20 . 1 1 57 57 GLY CA C 57 45.600 45.600 45.191 0.409 18214 6550 1 20 . 1 1 57 57 GLY H H 57 7.961 7.961 7.933 0.028 18214 6551 1 20 . 1 1 58 58 LYS N N 58 118.787 118.787 118.756 0.031 18214 6552 1 20 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.703 -0.075 18214 6553 1 20 . 1 1 58 58 LYS C C 58 174.755 174.755 175.263 -0.508 18214 6554 1 20 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.276 0.384 18214 6555 1 20 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.202 -2.252 18214 6556 1 20 . 1 1 58 58 LYS H H 58 7.064 7.064 7.872 -0.808 18214 6557 1 20 . 1 1 59 59 LEU N N 59 117.082 117.082 118.759 -1.677 18214 6558 1 20 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.079 -0.299 18214 6559 1 20 . 1 1 59 59 LEU C C 59 174.903 174.903 175.585 -0.682 18214 6560 1 20 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.185 -0.065 18214 6561 1 20 . 1 1 59 59 LEU CB C 59 44.090 44.090 44.593 -0.503 18214 6562 1 20 . 1 1 59 59 LEU H H 59 6.661 6.661 8.166 -1.505 18214 6563 1 20 . 1 1 60 60 LEU N N 60 121.360 121.360 121.089 0.271 18214 6564 1 20 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.567 -0.212 18214 6565 1 20 . 1 1 60 60 LEU C C 60 174.005 174.005 174.838 -0.833 18214 6566 1 20 . 1 1 60 60 LEU CA C 60 53.830 53.830 55.163 -1.333 18214 6567 1 20 . 1 1 60 60 LEU CB C 60 47.040 47.040 45.472 1.568 18214 6568 1 20 . 1 1 60 60 LEU H H 60 8.457 8.457 8.353 0.104 18214 6569 1 20 . 1 1 61 61 LEU N N 61 127.886 127.886 129.390 -1.504 18214 6570 1 20 . 1 1 61 61 LEU HA H 61 5.446 5.446 5.181 0.265 18214 6571 1 20 . 1 1 61 61 LEU C C 61 175.910 175.910 176.413 -0.503 18214 6572 1 20 . 1 1 61 61 LEU CA C 61 53.280 53.280 54.107 -0.827 18214 6573 1 20 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.657 4.313 18214 6574 1 20 . 1 1 61 61 LEU H H 61 8.556 8.556 8.506 0.050 18214 6575 1 20 . 1 1 62 62 THR N N 62 120.607 120.607 118.699 1.908 18214 6576 1 20 . 1 1 62 62 THR HA H 62 4.749 4.749 4.748 0.001 18214 6577 1 20 . 1 1 62 62 THR C C 62 171.903 171.903 173.625 -1.722 18214 6578 1 20 . 1 1 62 62 THR CA C 62 60.240 60.240 60.908 -0.668 18214 6579 1 20 . 1 1 62 62 THR CB C 62 71.970 71.970 70.652 1.318 18214 6580 1 20 . 1 1 62 62 THR H H 62 9.281 9.281 9.039 0.242 18214 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 53 3.140 0.030 3.170 18214 2 1 1 "Average Difference" HA 63 0.324 0.008 0.327 18214 3 1 1 "Average Difference" C 54 0.872 0.014 0.880 18214 4 1 1 "Average Difference" CA 59 1.007 0.033 1.015 18214 5 1 1 "Average Difference" CB 55 1.485 -0.258 1.476 18214 6 1 1 "Average Difference" HN 53 0.471 -0.056 0.472 18214 7 1 2 "Average Difference" N 53 2.983 0.246 3.001 18214 8 1 2 "Average Difference" HA 63 0.308 -0.006 0.310 18214 9 1 2 "Average Difference" C 54 0.922 -0.016 0.930 18214 10 1 2 "Average Difference" CA 59 1.041 0.102 1.045 18214 11 1 2 "Average Difference" CB 55 1.645 -0.482 1.587 18214 12 1 2 "Average Difference" HN 53 0.415 -0.018 0.419 18214 13 1 3 "Average Difference" N 53 3.262 0.655 3.226 18214 14 1 3 "Average Difference" HA 63 0.305 0.009 0.307 18214 15 1 3 "Average Difference" C 54 0.844 0.041 0.851 18214 16 1 3 "Average Difference" CA 59 1.013 -0.013 1.021 18214 17 1 3 "Average Difference" CB 55 1.645 -0.287 1.635 18214 18 1 3 "Average Difference" HN 53 0.433 -0.023 0.436 18214 19 1 4 "Average Difference" N 53 3.006 0.470 2.997 18214 20 1 4 "Average Difference" HA 63 0.300 -0.016 0.302 18214 21 1 4 "Average Difference" C 54 0.797 0.079 0.800 18214 22 1 4 "Average Difference" CA 59 1.101 0.024 1.110 18214 23 1 4 "Average Difference" CB 55 1.397 -0.398 1.352 18214 24 1 4 "Average Difference" HN 53 0.437 -0.068 0.436 18214 25 1 5 "Average Difference" N 53 3.507 0.480 3.507 18214 26 1 5 "Average Difference" HA 63 0.337 -0.027 0.338 18214 27 1 5 "Average Difference" C 54 0.959 -0.082 0.965 18214 28 1 5 "Average Difference" CA 59 1.086 0.090 1.092 18214 29 1 5 "Average Difference" CB 55 1.662 -0.505 1.598 18214 30 1 5 "Average Difference" HN 53 0.497 -0.056 0.499 18214 31 1 6 "Average Difference" N 53 3.289 0.467 3.287 18214 32 1 6 "Average Difference" HA 63 0.316 -0.006 0.319 18214 33 1 6 "Average Difference" C 54 0.917 0.034 0.925 18214 34 1 6 "Average Difference" CA 59 1.049 0.069 1.055 18214 35 1 6 "Average Difference" CB 55 1.664 -0.498 1.603 18214 36 1 6 "Average Difference" HN 53 0.443 -0.029 0.446 18214 37 1 7 "Average Difference" N 53 3.236 0.353 3.248 18214 38 1 7 "Average Difference" HA 63 0.307 -0.011 0.310 18214 39 1 7 "Average Difference" C 54 0.804 0.017 0.812 18214 40 1 7 "Average Difference" CA 59 1.044 0.039 1.053 18214 41 1 7 "Average Difference" CB 55 1.541 -0.391 1.505 18214 42 1 7 "Average Difference" HN 53 0.422 -0.014 0.426 18214 43 1 8 "Average Difference" N 53 3.183 0.383 3.190 18214 44 1 8 "Average Difference" HA 63 0.320 -0.010 0.322 18214 45 1 8 "Average Difference" C 54 0.819 0.062 0.824 18214 46 1 8 "Average Difference" CA 59 1.077 0.062 1.085 18214 47 1 8 "Average Difference" CB 55 1.487 -0.386 1.449 18214 48 1 8 "Average Difference" HN 53 0.449 -0.074 0.447 18214 49 1 9 "Average Difference" N 53 3.144 -0.024 3.174 18214 50 1 9 "Average Difference" HA 63 0.305 0.005 0.307 18214 51 1 9 "Average Difference" C 54 0.850 0.086 0.854 18214 52 1 9 "Average Difference" CA 59 1.118 0.040 1.126 18214 53 1 9 "Average Difference" CB 55 1.405 -0.275 1.391 18214 54 1 9 "Average Difference" HN 53 0.415 -0.056 0.415 18214 55 1 10 "Average Difference" N 53 2.804 0.361 2.808 18214 56 1 10 "Average Difference" HA 63 0.311 -0.022 0.312 18214 57 1 10 "Average Difference" C 54 0.846 0.063 0.852 18214 58 1 10 "Average Difference" CA 59 1.186 0.135 1.188 18214 59 1 10 "Average Difference" CB 55 1.498 -0.233 1.494 18214 60 1 10 "Average Difference" HN 53 0.428 -0.050 0.429 18214 61 1 11 "Average Difference" N 53 2.733 -0.339 2.738 18214 62 1 11 "Average Difference" HA 63 0.319 -0.005 0.322 18214 63 1 11 "Average Difference" C 54 0.834 0.053 0.840 18214 64 1 11 "Average Difference" CA 59 1.057 0.104 1.061 18214 65 1 11 "Average Difference" CB 55 1.437 -0.250 1.429 18214 66 1 11 "Average Difference" HN 53 0.409 -0.077 0.406 18214 67 1 12 "Average Difference" N 53 3.392 0.088 3.424 18214 68 1 12 "Average Difference" HA 63 0.296 -0.009 0.298 18214 69 1 12 "Average Difference" C 54 0.833 0.070 0.838 18214 70 1 12 "Average Difference" CA 59 1.067 0.048 1.075 18214 71 1 12 "Average Difference" CB 55 1.535 -0.428 1.487 18214 72 1 12 "Average Difference" HN 53 0.427 -0.044 0.428 18214 73 1 13 "Average Difference" N 53 3.312 0.762 3.254 18214 74 1 13 "Average Difference" HA 63 0.313 -0.022 0.314 18214 75 1 13 "Average Difference" C 54 0.683 0.123 0.679 18214 76 1 13 "Average Difference" CA 59 0.957 0.043 0.964 18214 77 1 13 "Average Difference" CB 55 1.439 -0.431 1.386 18214 78 1 13 "Average Difference" HN 53 0.465 -0.075 0.463 18214 79 1 14 "Average Difference" N 53 3.395 0.441 3.399 18214 80 1 14 "Average Difference" HA 63 0.320 -0.041 0.319 18214 81 1 14 "Average Difference" C 54 0.905 0.153 0.901 18214 82 1 14 "Average Difference" CA 59 1.181 0.184 1.177 18214 83 1 14 "Average Difference" CB 55 1.677 -0.582 1.587 18214 84 1 14 "Average Difference" HN 53 0.474 -0.066 0.474 18214 85 1 15 "Average Difference" N 53 2.980 0.427 2.978 18214 86 1 15 "Average Difference" HA 63 0.357 0.010 0.360 18214 87 1 15 "Average Difference" C 54 0.837 0.037 0.844 18214 88 1 15 "Average Difference" CA 59 1.104 0.015 1.114 18214 89 1 15 "Average Difference" CB 55 1.612 -0.470 1.556 18214 90 1 15 "Average Difference" HN 53 0.458 -0.037 0.461 18214 91 1 16 "Average Difference" N 53 3.016 0.348 3.025 18214 92 1 16 "Average Difference" HA 63 0.326 0.002 0.329 18214 93 1 16 "Average Difference" C 54 0.848 -0.042 0.854 18214 94 1 16 "Average Difference" CA 59 1.043 0.038 1.051 18214 95 1 16 "Average Difference" CB 55 1.593 -0.348 1.569 18214 96 1 16 "Average Difference" HN 53 0.449 -0.054 0.450 18214 97 1 17 "Average Difference" N 53 3.182 0.228 3.204 18214 98 1 17 "Average Difference" HA 63 0.328 -0.013 0.331 18214 99 1 17 "Average Difference" C 54 0.888 -0.029 0.896 18214 100 1 17 "Average Difference" CA 59 1.012 0.067 1.019 18214 101 1 17 "Average Difference" CB 55 1.464 -0.315 1.442 18214 102 1 17 "Average Difference" HN 53 0.452 -0.042 0.454 18214 103 1 18 "Average Difference" N 53 2.868 0.343 2.875 18214 104 1 18 "Average Difference" HA 63 0.326 -0.017 0.328 18214 105 1 18 "Average Difference" C 54 0.813 -0.020 0.821 18214 106 1 18 "Average Difference" CA 59 1.154 0.094 1.160 18214 107 1 18 "Average Difference" CB 55 1.394 -0.405 1.346 18214 108 1 18 "Average Difference" HN 53 0.442 -0.061 0.442 18214 109 1 19 "Average Difference" N 53 3.108 -0.198 3.131 18214 110 1 19 "Average Difference" HA 63 0.323 -0.018 0.326 18214 111 1 19 "Average Difference" C 54 0.903 0.024 0.911 18214 112 1 19 "Average Difference" CA 59 1.127 0.078 1.134 18214 113 1 19 "Average Difference" CB 55 1.568 -0.446 1.517 18214 114 1 19 "Average Difference" HN 53 0.406 -0.032 0.408 18214 115 1 20 "Average Difference" N 53 2.941 -0.027 2.969 18214 116 1 20 "Average Difference" HA 63 0.308 0.009 0.310 18214 117 1 20 "Average Difference" C 54 0.867 -0.142 0.863 18214 118 1 20 "Average Difference" CA 59 1.019 0.122 1.020 18214 119 1 20 "Average Difference" CB 55 1.526 -0.183 1.529 18214 120 1 20 "Average Difference" HN 53 0.412 -0.042 0.414 18214 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 18214 _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 ARG HA H 3 4.286 4.286 4.442 -0.156 18214 2 1 . 1 1 3 3 ARG C C 3 176.261 176.261 175.940 0.321 18214 3 1 . 1 1 3 3 ARG CA C 3 56.230 56.230 56.241 -0.011 18214 4 1 . 1 1 3 3 ARG CB C 3 30.760 30.760 30.471 0.289 18214 5 1 . 1 1 4 4 MET N N 4 121.127 121.127 121.225 -0.099 18214 6 1 . 1 1 4 4 MET HA H 4 4.392 4.392 4.513 -0.121 18214 7 1 . 1 1 4 4 MET C C 4 175.779 175.779 175.295 0.484 18214 8 1 . 1 1 4 4 MET CA C 4 55.440 55.440 55.296 0.144 18214 9 1 . 1 1 4 4 MET CB C 4 32.820 32.820 33.072 -0.252 18214 10 1 . 1 1 4 4 MET H H 4 8.318 8.318 8.148 0.170 18214 11 1 . 1 1 5 5 ASP N N 5 121.087 121.087 123.097 -2.010 18214 12 1 . 1 1 5 5 ASP HA H 5 4.522 4.522 4.638 -0.116 18214 13 1 . 1 1 5 5 ASP C C 5 175.850 175.850 175.316 0.534 18214 14 1 . 1 1 5 5 ASP CA C 5 54.220 54.220 54.310 -0.089 18214 15 1 . 1 1 5 5 ASP CB C 5 41.200 41.200 41.484 -0.284 18214 16 1 . 1 1 5 5 ASP H H 5 8.247 8.247 8.492 -0.245 18214 17 1 . 1 1 6 6 ASN N N 6 119.267 119.267 120.589 -1.322 18214 18 1 . 1 1 6 6 ASN HA H 6 4.664 4.664 4.722 -0.058 18214 19 1 . 1 1 6 6 ASN C C 6 175.478 175.478 174.785 0.693 18214 20 1 . 1 1 6 6 ASN CA C 6 53.370 53.370 53.364 0.006 18214 21 1 . 1 1 6 6 ASN CB C 6 38.520 38.520 39.345 -0.824 18214 22 1 . 1 1 6 6 ASN H H 6 8.320 8.320 8.397 -0.077 18214 23 1 . 1 1 7 7 THR N N 7 114.228 114.228 116.340 -2.112 18214 24 1 . 1 1 7 7 THR HA H 7 4.179 4.179 4.383 -0.204 18214 25 1 . 1 1 7 7 THR C C 7 174.476 174.476 173.919 0.557 18214 26 1 . 1 1 7 7 THR CA C 7 62.340 62.340 62.332 0.008 18214 27 1 . 1 1 7 7 THR CB C 7 69.650 69.650 69.299 0.351 18214 28 1 . 1 1 7 7 THR H H 7 8.111 8.111 8.278 -0.167 18214 29 1 . 1 1 8 8 GLU N N 8 122.962 122.962 124.441 -1.479 18214 30 1 . 1 1 8 8 GLU HA H 8 4.223 4.223 4.466 -0.243 18214 31 1 . 1 1 8 8 GLU C C 8 176.020 176.020 175.827 0.193 18214 32 1 . 1 1 8 8 GLU CA C 8 56.230 56.230 55.849 0.381 18214 33 1 . 1 1 8 8 GLU CB C 8 30.260 30.260 30.475 -0.215 18214 34 1 . 1 1 8 8 GLU H H 8 8.256 8.256 8.445 -0.189 18214 35 1 . 1 1 9 9 LEU N N 9 124.766 124.766 123.718 1.048 18214 36 1 . 1 1 9 9 LEU HA H 9 4.483 4.483 4.553 -0.070 18214 37 1 . 1 1 9 9 LEU CA C 9 53.170 53.170 53.386 -0.216 18214 38 1 . 1 1 9 9 LEU CB C 9 41.590 41.590 41.345 0.245 18214 39 1 . 1 1 9 9 LEU H H 9 8.130 8.130 8.344 -0.214 18214 40 1 . 1 1 10 10 PRO HA H 10 4.292 4.292 4.464 -0.172 18214 41 1 . 1 1 10 10 PRO C C 10 176.337 176.337 175.971 0.366 18214 42 1 . 1 1 10 10 PRO CA C 10 62.850 62.850 62.908 -0.058 18214 43 1 . 1 1 10 10 PRO CB C 10 31.920 31.920 32.120 -0.200 18214 44 1 . 1 1 11 11 HIS N N 11 120.147 120.147 120.300 -0.153 18214 45 1 . 1 1 11 11 HIS HA H 11 4.825 4.825 4.701 0.124 18214 46 1 . 1 1 11 11 HIS CA C 11 53.430 53.430 54.397 -0.967 18214 47 1 . 1 1 11 11 HIS CB C 11 29.370 29.370 29.714 -0.344 18214 48 1 . 1 1 11 11 HIS H H 11 8.329 8.329 8.278 0.051 18214 49 1 . 1 1 12 12 PRO HA H 12 4.327 4.327 4.459 -0.132 18214 50 1 . 1 1 12 12 PRO C C 12 176.731 176.731 176.110 0.621 18214 51 1 . 1 1 12 12 PRO CA C 12 63.190 63.190 62.774 0.416 18214 52 1 . 1 1 12 12 PRO CB C 12 32.110 32.110 32.566 -0.456 18214 53 1 . 1 1 13 13 LYS N N 13 121.927 121.927 122.374 -0.447 18214 54 1 . 1 1 13 13 LYS HA H 13 4.201 4.201 4.330 -0.129 18214 55 1 . 1 1 13 13 LYS C C 13 176.622 176.622 176.258 0.364 18214 56 1 . 1 1 13 13 LYS CA C 13 56.600 56.600 56.164 0.436 18214 57 1 . 1 1 13 13 LYS CB C 13 33.020 33.020 33.119 -0.099 18214 58 1 . 1 1 13 13 LYS H H 13 8.472 8.472 8.324 0.148 18214 59 1 . 1 1 14 14 GLU N N 14 122.532 122.532 122.448 0.084 18214 60 1 . 1 1 14 14 GLU HA H 14 4.205 4.205 4.317 -0.112 18214 61 1 . 1 1 14 14 GLU C C 14 176.326 176.326 176.065 0.261 18214 62 1 . 1 1 14 14 GLU CA C 14 56.570 56.570 56.285 0.285 18214 63 1 . 1 1 14 14 GLU CB C 14 30.100 30.100 29.839 0.261 18214 64 1 . 1 1 14 14 GLU H H 14 8.442 8.442 8.470 -0.028 18214 65 1 . 1 1 15 15 ILE N N 15 121.207 121.207 125.499 -4.292 18214 66 1 . 1 1 15 15 ILE HA H 15 4.067 4.067 4.120 -0.053 18214 67 1 . 1 1 15 15 ILE C C 15 175.680 175.680 175.683 -0.003 18214 68 1 . 1 1 15 15 ILE CA C 15 60.960 60.960 61.221 -0.261 18214 69 1 . 1 1 15 15 ILE CB C 15 38.850 38.850 37.651 1.199 18214 70 1 . 1 1 15 15 ILE H H 15 8.068 8.068 8.442 -0.374 18214 71 1 . 1 1 16 16 ASP N N 16 124.246 124.246 126.130 -1.884 18214 72 1 . 1 1 16 16 ASP HA H 16 4.524 4.524 4.613 -0.089 18214 73 1 . 1 1 16 16 ASP C C 16 175.965 175.965 175.307 0.658 18214 74 1 . 1 1 16 16 ASP CA C 16 54.550 54.550 54.326 0.224 18214 75 1 . 1 1 16 16 ASP CB C 16 40.970 40.970 41.853 -0.883 18214 76 1 . 1 1 16 16 ASP H H 16 8.284 8.284 8.324 -0.040 18214 77 1 . 1 1 17 17 ASN N N 17 119.667 119.667 120.579 -0.912 18214 78 1 . 1 1 17 17 ASN HA H 17 4.577 4.577 4.753 -0.176 18214 79 1 . 1 1 17 17 ASN C C 17 175.417 175.417 174.541 0.876 18214 80 1 . 1 1 17 17 ASN CA C 17 53.690 53.690 53.235 0.455 18214 81 1 . 1 1 17 17 ASN CB C 17 38.800 38.800 38.979 -0.179 18214 82 1 . 1 1 17 17 ASN H H 17 8.317 8.317 8.521 -0.204 18214 83 1 . 1 1 18 18 GLU N N 18 120.842 120.842 121.487 -0.645 18214 84 1 . 1 1 18 18 GLU HA H 18 4.197 4.197 4.379 -0.182 18214 85 1 . 1 1 18 18 GLU C C 18 176.704 176.704 176.034 0.670 18214 86 1 . 1 1 18 18 GLU CA C 18 56.770 56.770 56.449 0.321 18214 87 1 . 1 1 18 18 GLU CB C 18 30.100 30.100 29.785 0.315 18214 88 1 . 1 1 18 18 GLU H H 18 8.407 8.407 8.301 0.106 18214 89 1 . 1 1 19 19 THR N N 19 115.248 115.248 117.143 -1.895 18214 90 1 . 1 1 19 19 THR HA H 19 4.177 4.177 4.325 -0.148 18214 91 1 . 1 1 19 19 THR C C 19 174.186 174.186 174.756 -0.570 18214 92 1 . 1 1 19 19 THR CA C 19 62.250 62.250 62.479 -0.229 18214 93 1 . 1 1 19 19 THR CB C 19 69.650 69.650 69.297 0.353 18214 94 1 . 1 1 19 19 THR H H 19 8.074 8.074 8.117 -0.043 18214 95 1 . 1 1 20 20 LEU N N 20 124.826 124.826 125.371 -0.545 18214 96 1 . 1 1 20 20 LEU HA H 20 4.264 4.264 4.440 -0.176 18214 97 1 . 1 1 20 20 LEU C C 20 176.698 176.698 176.881 -0.183 18214 98 1 . 1 1 20 20 LEU CA C 20 54.580 54.580 54.423 0.157 18214 99 1 . 1 1 20 20 LEU CB C 20 42.110 42.110 42.537 -0.427 18214 100 1 . 1 1 20 20 LEU H H 20 8.074 8.074 8.270 -0.196 18214 101 1 . 1 1 21 21 LEU N N 21 124.466 124.466 122.073 2.393 18214 102 1 . 1 1 21 21 LEU HA H 21 4.512 4.512 4.549 -0.037 18214 103 1 . 1 1 21 21 LEU CA C 21 52.580 52.580 53.339 -0.759 18214 104 1 . 1 1 21 21 LEU CB C 21 41.860 41.860 41.484 0.376 18214 105 1 . 1 1 21 21 LEU H H 21 8.088 8.088 8.230 -0.142 18214 106 1 . 1 1 22 22 PRO HA H 22 4.292 4.292 4.461 -0.169 18214 107 1 . 1 1 22 22 PRO C C 22 176.540 176.540 177.135 -0.595 18214 108 1 . 1 1 22 22 PRO CA C 22 62.910 62.910 63.015 -0.105 18214 109 1 . 1 1 22 22 PRO CB C 22 32.130 32.130 32.233 -0.103 18214 110 1 . 1 1 23 23 ALA N N 23 124.451 124.451 123.925 0.526 18214 111 1 . 1 1 23 23 ALA HA H 23 4.158 4.158 4.104 0.054 18214 112 1 . 1 1 23 23 ALA C C 23 177.005 177.005 176.102 0.903 18214 113 1 . 1 1 23 23 ALA CA C 23 52.230 52.230 53.693 -1.463 18214 114 1 . 1 1 23 23 ALA CB C 23 19.310 19.310 19.166 0.144 18214 115 1 . 1 1 23 23 ALA H H 23 8.314 8.314 8.531 -0.217 18214 116 1 . 1 1 24 24 ALA N N 24 121.792 121.792 118.901 2.891 18214 117 1 . 1 1 24 24 ALA HA H 24 4.256 4.256 4.470 -0.214 18214 118 1 . 1 1 24 24 ALA C C 24 177.065 177.065 175.531 1.534 18214 119 1 . 1 1 24 24 ALA CA C 24 51.850 51.850 51.768 0.082 18214 120 1 . 1 1 24 24 ALA CB C 24 20.300 20.300 20.700 -0.401 18214 121 1 . 1 1 24 24 ALA H H 24 7.994 7.994 7.645 0.349 18214 122 1 . 1 1 25 25 GLU N N 25 120.287 120.287 120.907 -0.620 18214 123 1 . 1 1 25 25 GLU HA H 25 4.126 4.126 4.296 -0.170 18214 124 1 . 1 1 25 25 GLU C C 25 176.233 176.233 175.902 0.331 18214 125 1 . 1 1 25 25 GLU CA C 25 56.810 56.810 55.806 1.004 18214 126 1 . 1 1 25 25 GLU CB C 25 30.240 30.240 29.447 0.793 18214 127 1 . 1 1 25 25 GLU H H 25 8.404 8.404 8.557 -0.153 18214 128 1 . 1 1 26 26 ARG N N 26 123.246 123.246 122.726 0.520 18214 129 1 . 1 1 26 26 ARG HA H 26 4.335 4.335 4.368 -0.033 18214 130 1 . 1 1 26 26 ARG C C 26 174.514 174.514 175.185 -0.671 18214 131 1 . 1 1 26 26 ARG CA C 26 56.180 56.180 55.058 1.122 18214 132 1 . 1 1 26 26 ARG CB C 26 31.340 31.340 30.016 1.324 18214 133 1 . 1 1 26 26 ARG H H 26 8.598 8.598 7.972 0.626 18214 134 1 . 1 1 27 27 ARG N N 27 123.563 123.563 126.994 -3.431 18214 135 1 . 1 1 27 27 ARG HA H 27 5.444 5.444 4.579 0.865 18214 136 1 . 1 1 27 27 ARG C C 27 175.308 175.308 176.111 -0.803 18214 137 1 . 1 1 27 27 ARG CA C 27 54.170 54.170 56.104 -1.934 18214 138 1 . 1 1 27 27 ARG CB C 27 34.500 34.500 29.268 5.232 18214 139 1 . 1 1 27 27 ARG H H 27 8.230 8.230 8.375 -0.145 18214 140 1 . 1 1 28 28 VAL N N 28 120.927 120.927 119.834 1.093 18214 141 1 . 1 1 28 28 VAL HA H 28 4.435 4.435 4.574 -0.139 18214 142 1 . 1 1 28 28 VAL C C 28 173.178 173.178 174.841 -1.663 18214 143 1 . 1 1 28 28 VAL CA C 28 59.790 59.790 59.130 0.661 18214 144 1 . 1 1 28 28 VAL CB C 28 35.510 35.510 35.461 0.049 18214 145 1 . 1 1 28 28 VAL H H 28 9.062 9.062 8.379 0.683 18214 146 1 . 1 1 29 29 ASN N N 29 124.526 124.526 120.095 4.431 18214 147 1 . 1 1 29 29 ASN HA H 29 5.153 5.153 4.859 0.294 18214 148 1 . 1 1 29 29 ASN C C 29 177.848 177.848 177.329 0.519 18214 149 1 . 1 1 29 29 ASN CA C 29 53.160 53.160 53.919 -0.759 18214 150 1 . 1 1 29 29 ASN CB C 29 40.090 40.090 39.025 1.065 18214 151 1 . 1 1 29 29 ASN H H 29 8.779 8.779 8.553 0.225 18214 152 1 . 1 1 30 30 SER N N 30 123.081 123.081 117.223 5.858 18214 153 1 . 1 1 30 30 SER HA H 30 3.730 3.730 4.094 -0.364 18214 154 1 . 1 1 30 30 SER C C 30 175.833 175.833 176.389 -0.556 18214 155 1 . 1 1 30 30 SER CA C 30 62.010 62.010 61.486 0.524 18214 156 1 . 1 1 30 30 SER CB C 30 60.920 60.920 62.936 -2.016 18214 157 1 . 1 1 30 30 SER H H 30 9.338 9.338 8.522 0.816 18214 158 1 . 1 1 31 31 GLN N N 31 122.307 122.307 120.545 1.762 18214 159 1 . 1 1 31 31 GLN HA H 31 4.033 4.033 4.150 -0.117 18214 160 1 . 1 1 31 31 GLN C C 31 177.569 177.569 176.570 0.999 18214 161 1 . 1 1 31 31 GLN CA C 31 58.750 58.750 58.063 0.687 18214 162 1 . 1 1 31 31 GLN CB C 31 27.810 27.810 28.214 -0.404 18214 163 1 . 1 1 31 31 GLN H H 31 8.938 8.938 8.534 0.404 18214 164 1 . 1 1 32 32 ALA N N 32 119.987 119.987 121.315 -1.328 18214 165 1 . 1 1 32 32 ALA HA H 32 4.228 4.228 4.594 -0.366 18214 166 1 . 1 1 32 32 ALA C C 32 177.908 177.908 177.990 -0.082 18214 167 1 . 1 1 32 32 ALA CA C 32 53.010 53.010 50.968 2.043 18214 168 1 . 1 1 32 32 ALA CB C 32 18.890 18.890 18.693 0.197 18214 169 1 . 1 1 32 32 ALA H H 32 7.477 7.477 7.652 -0.175 18214 170 1 . 1 1 33 33 LEU N N 33 117.867 117.867 116.713 1.154 18214 171 1 . 1 1 33 33 LEU HA H 33 4.122 4.122 3.997 0.125 18214 172 1 . 1 1 33 33 LEU C C 33 176.348 176.348 176.601 -0.253 18214 173 1 . 1 1 33 33 LEU CA C 33 56.280 56.280 57.093 -0.813 18214 174 1 . 1 1 33 33 LEU CB C 33 44.670 44.670 42.045 2.625 18214 175 1 . 1 1 33 33 LEU H H 33 7.269 7.269 7.387 -0.118 18214 176 1 . 1 1 34 34 LEU N N 34 114.642 114.642 114.456 0.186 18214 177 1 . 1 1 34 34 LEU HA H 34 3.700 3.700 4.561 -0.861 18214 178 1 . 1 1 34 34 LEU C C 34 177.870 177.870 177.948 -0.078 18214 179 1 . 1 1 34 34 LEU CA C 34 55.400 55.400 54.214 1.186 18214 180 1 . 1 1 34 34 LEU CB C 34 42.350 42.350 43.764 -1.414 18214 181 1 . 1 1 34 34 LEU H H 34 7.915 7.915 7.607 0.308 18214 182 1 . 1 1 35 35 GLY N N 35 104.529 104.529 107.966 -3.437 18214 183 1 . 1 1 35 35 GLY CA C 35 44.610 44.610 45.344 -0.734 18214 184 1 . 1 1 35 35 GLY H H 35 7.650 7.650 8.088 -0.438 18214 185 1 . 1 1 36 36 PRO HA H 36 4.323 4.323 4.474 -0.151 18214 186 1 . 1 1 36 36 PRO C C 36 177.043 177.043 176.291 0.752 18214 187 1 . 1 1 36 36 PRO CA C 36 64.680 64.680 64.152 0.528 18214 188 1 . 1 1 36 36 PRO CB C 36 31.560 31.560 31.929 -0.369 18214 189 1 . 1 1 37 37 ASP N N 37 115.648 115.648 119.237 -3.589 18214 190 1 . 1 1 37 37 ASP HA H 37 4.496 4.496 4.595 -0.099 18214 191 1 . 1 1 37 37 ASP C C 37 177.279 177.279 177.367 -0.088 18214 192 1 . 1 1 37 37 ASP CA C 37 53.210 53.210 54.813 -1.603 18214 193 1 . 1 1 37 37 ASP CB C 37 40.190 40.190 41.522 -1.332 18214 194 1 . 1 1 37 37 ASP H H 37 8.500 8.500 7.887 0.613 18214 195 1 . 1 1 38 38 GLY N N 38 107.249 107.249 106.996 0.253 18214 196 1 . 1 1 38 38 GLY C C 38 172.445 172.445 173.315 -0.870 18214 197 1 . 1 1 38 38 GLY CA C 38 47.120 47.120 45.710 1.411 18214 198 1 . 1 1 38 38 GLY H H 38 8.084 8.084 8.253 -0.168 18214 199 1 . 1 1 39 39 LYS N N 39 115.188 115.188 119.076 -3.888 18214 200 1 . 1 1 39 39 LYS HA H 39 5.389 5.389 5.297 0.092 18214 201 1 . 1 1 39 39 LYS C C 39 175.182 175.182 175.034 0.148 18214 202 1 . 1 1 39 39 LYS CA C 39 54.910 54.910 54.991 -0.081 18214 203 1 . 1 1 39 39 LYS CB C 39 36.880 36.880 33.864 3.016 18214 204 1 . 1 1 39 39 LYS H H 39 7.244 7.244 7.537 -0.293 18214 205 1 . 1 1 40 40 VAL N N 40 120.767 120.767 116.041 4.726 18214 206 1 . 1 1 40 40 VAL HA H 40 4.362 4.362 4.703 -0.341 18214 207 1 . 1 1 40 40 VAL C C 40 171.344 171.344 173.918 -2.574 18214 208 1 . 1 1 40 40 VAL CA C 40 61.340 61.340 59.238 2.102 18214 209 1 . 1 1 40 40 VAL CB C 40 35.130 35.130 35.780 -0.650 18214 210 1 . 1 1 40 40 VAL H H 40 8.914 8.914 8.503 0.411 18214 211 1 . 1 1 41 41 ILE N N 41 127.866 127.866 120.510 7.356 18214 212 1 . 1 1 41 41 ILE HA H 41 4.729 4.729 4.420 0.309 18214 213 1 . 1 1 41 41 ILE C C 41 175.237 175.237 175.573 -0.336 18214 214 1 . 1 1 41 41 ILE CA C 41 59.910 59.910 60.658 -0.748 18214 215 1 . 1 1 41 41 ILE CB C 41 39.200 39.200 38.130 1.070 18214 216 1 . 1 1 41 41 ILE H H 41 8.114 8.114 8.035 0.079 18214 217 1 . 1 1 42 42 ILE N N 42 126.986 126.986 129.399 -2.413 18214 218 1 . 1 1 42 42 ILE HA H 42 4.800 4.800 4.240 0.560 18214 219 1 . 1 1 42 42 ILE C C 42 175.187 175.187 174.870 0.317 18214 220 1 . 1 1 42 42 ILE CA C 42 58.830 58.830 60.929 -2.099 18214 221 1 . 1 1 42 42 ILE CB C 42 39.810 39.810 37.889 1.921 18214 222 1 . 1 1 42 42 ILE H H 42 9.249 9.249 8.706 0.543 18214 223 1 . 1 1 43 43 ASP N N 43 127.951 127.951 128.821 -0.870 18214 224 1 . 1 1 43 43 ASP HA H 43 4.971 4.971 4.979 -0.008 18214 225 1 . 1 1 43 43 ASP C C 43 175.505 175.505 174.550 0.955 18214 226 1 . 1 1 43 43 ASP CA C 43 53.970 53.970 53.220 0.750 18214 227 1 . 1 1 43 43 ASP CB C 43 42.210 42.210 42.729 -0.519 18214 228 1 . 1 1 43 43 ASP H H 43 8.800 8.800 8.585 0.214 18214 229 1 . 1 1 44 44 HIS N N 44 126.451 126.451 126.401 0.050 18214 230 1 . 1 1 44 44 HIS HA H 44 5.196 5.196 4.854 0.342 18214 231 1 . 1 1 44 44 HIS C C 44 174.492 174.492 174.361 0.131 18214 232 1 . 1 1 44 44 HIS CA C 44 54.660 54.660 56.198 -1.538 18214 233 1 . 1 1 44 44 HIS CB C 44 33.900 33.900 32.142 1.758 18214 234 1 . 1 1 44 44 HIS H H 44 9.194 9.194 8.440 0.754 18214 235 1 . 1 1 45 45 ASN N N 45 126.311 126.311 125.640 0.671 18214 236 1 . 1 1 45 45 ASN HA H 45 4.140 4.140 4.286 -0.146 18214 237 1 . 1 1 45 45 ASN C C 45 174.892 174.892 175.222 -0.330 18214 238 1 . 1 1 45 45 ASN CA C 45 53.660 53.660 53.642 0.018 18214 239 1 . 1 1 45 45 ASN CB C 45 37.190 37.190 37.586 -0.396 18214 240 1 . 1 1 45 45 ASN H H 45 9.057 9.057 8.982 0.075 18214 241 1 . 1 1 46 46 GLY N N 46 105.469 105.469 103.491 1.978 18214 242 1 . 1 1 46 46 GLY C C 46 173.945 173.945 174.174 -0.230 18214 243 1 . 1 1 46 46 GLY CA C 46 45.440 45.440 45.097 0.343 18214 244 1 . 1 1 46 46 GLY H H 46 8.686 8.686 8.510 0.176 18214 245 1 . 1 1 47 47 GLN N N 47 120.007 120.007 120.827 -0.820 18214 246 1 . 1 1 47 47 GLN HA H 47 4.469 4.469 4.401 0.068 18214 247 1 . 1 1 47 47 GLN C C 47 174.656 174.656 174.395 0.261 18214 248 1 . 1 1 47 47 GLN CA C 47 54.150 54.150 54.874 -0.724 18214 249 1 . 1 1 47 47 GLN CB C 47 31.070 31.070 30.113 0.957 18214 250 1 . 1 1 47 47 GLN H H 47 7.841 7.841 7.704 0.137 18214 251 1 . 1 1 48 48 GLU N N 48 123.081 123.081 121.160 1.921 18214 252 1 . 1 1 48 48 GLU HA H 48 4.739 4.739 5.201 -0.462 18214 253 1 . 1 1 48 48 GLU C C 48 175.877 175.877 175.174 0.703 18214 254 1 . 1 1 48 48 GLU CA C 48 56.170 56.170 54.252 1.918 18214 255 1 . 1 1 48 48 GLU CB C 48 30.730 30.730 32.124 -1.394 18214 256 1 . 1 1 48 48 GLU H H 48 8.505 8.505 8.449 0.056 18214 257 1 . 1 1 49 49 TYR N N 49 124.226 124.226 118.769 5.457 18214 258 1 . 1 1 49 49 TYR HA H 49 4.760 4.760 4.792 -0.032 18214 259 1 . 1 1 49 49 TYR C C 49 174.098 174.098 174.166 -0.068 18214 260 1 . 1 1 49 49 TYR CA C 49 56.860 56.860 55.819 1.041 18214 261 1 . 1 1 49 49 TYR CB C 49 41.520 41.520 40.806 0.714 18214 262 1 . 1 1 49 49 TYR H H 49 9.086 9.086 8.391 0.695 18214 263 1 . 1 1 50 50 LEU N N 50 123.506 123.506 125.415 -1.909 18214 264 1 . 1 1 50 50 LEU HA H 50 4.841 4.841 4.860 -0.019 18214 265 1 . 1 1 50 50 LEU C C 50 174.459 174.459 174.972 -0.513 18214 266 1 . 1 1 50 50 LEU CA C 50 53.840 53.840 54.447 -0.608 18214 267 1 . 1 1 50 50 LEU CB C 50 43.930 43.930 42.625 1.305 18214 268 1 . 1 1 50 50 LEU H H 50 9.147 9.147 8.676 0.471 18214 269 1 . 1 1 51 51 LEU N N 51 129.785 129.785 129.567 0.218 18214 270 1 . 1 1 51 51 LEU HA H 51 5.233 5.233 5.250 -0.017 18214 271 1 . 1 1 51 51 LEU C C 51 174.246 174.246 174.286 -0.040 18214 272 1 . 1 1 51 51 LEU CA C 51 52.940 52.940 52.987 -0.047 18214 273 1 . 1 1 51 51 LEU CB C 51 43.890 43.890 45.004 -1.114 18214 274 1 . 1 1 51 51 LEU H H 51 8.803 8.803 8.720 0.083 18214 275 1 . 1 1 52 52 ARG N N 52 121.867 121.867 124.008 -2.141 18214 276 1 . 1 1 52 52 ARG HA H 52 5.292 5.292 5.106 0.186 18214 277 1 . 1 1 52 52 ARG C C 52 173.561 173.561 175.226 -1.665 18214 278 1 . 1 1 52 52 ARG CA C 52 53.220 53.220 53.684 -0.464 18214 279 1 . 1 1 52 52 ARG CB C 52 34.560 34.560 33.376 1.184 18214 280 1 . 1 1 52 52 ARG H H 52 8.740 8.740 8.641 0.099 18214 281 1 . 1 1 53 53 LYS N N 53 118.467 118.467 126.696 -8.229 18214 282 1 . 1 1 53 53 LYS HA H 53 5.160 5.160 4.747 0.413 18214 283 1 . 1 1 53 53 LYS C C 53 176.879 176.879 176.765 0.114 18214 284 1 . 1 1 53 53 LYS CA C 53 53.660 53.660 56.121 -2.461 18214 285 1 . 1 1 53 53 LYS CB C 53 33.800 33.800 32.079 1.721 18214 286 1 . 1 1 53 53 LYS H H 53 7.912 7.912 8.292 -0.380 18214 287 1 . 1 1 54 54 THR N N 54 114.428 114.428 117.083 -2.655 18214 288 1 . 1 1 54 54 THR HA H 54 4.703 4.703 4.332 0.371 18214 289 1 . 1 1 54 54 THR CA C 54 59.430 59.430 61.774 -2.344 18214 290 1 . 1 1 54 54 THR CB C 54 71.730 71.730 70.290 1.440 18214 291 1 . 1 1 54 54 THR H H 54 8.753 8.753 8.291 0.462 18214 292 1 . 1 1 56 56 ALA HA H 56 4.355 4.355 4.270 0.085 18214 293 1 . 1 1 56 56 ALA C C 56 177.569 177.569 177.699 -0.130 18214 294 1 . 1 1 56 56 ALA CA C 56 52.030 52.030 52.263 -0.233 18214 295 1 . 1 1 56 56 ALA CB C 56 18.900 18.900 18.733 0.167 18214 296 1 . 1 1 57 57 GLY N N 57 106.509 106.509 105.723 0.786 18214 297 1 . 1 1 57 57 GLY C C 57 174.678 174.678 173.854 0.824 18214 298 1 . 1 1 57 57 GLY CA C 57 45.600 45.600 44.892 0.708 18214 299 1 . 1 1 57 57 GLY H H 57 7.961 7.961 7.862 0.099 18214 300 1 . 1 1 58 58 LYS N N 58 118.787 118.787 118.751 0.036 18214 301 1 . 1 1 58 58 LYS HA H 58 4.628 4.628 4.670 -0.042 18214 302 1 . 1 1 58 58 LYS C C 58 174.755 174.755 175.010 -0.255 18214 303 1 . 1 1 58 58 LYS CA C 58 54.660 54.660 54.165 0.495 18214 304 1 . 1 1 58 58 LYS CB C 58 33.950 33.950 36.376 -2.426 18214 305 1 . 1 1 58 58 LYS H H 58 7.064 7.064 7.849 -0.785 18214 306 1 . 1 1 59 59 LEU N N 59 117.082 117.082 119.804 -2.722 18214 307 1 . 1 1 59 59 LEU HA H 59 4.780 4.780 5.058 -0.278 18214 308 1 . 1 1 59 59 LEU C C 59 174.903 174.903 176.114 -1.211 18214 309 1 . 1 1 59 59 LEU CA C 59 53.120 53.120 53.505 -0.385 18214 310 1 . 1 1 59 59 LEU CB C 59 44.090 44.090 43.862 0.228 18214 311 1 . 1 1 59 59 LEU H H 59 6.661 6.661 8.299 -1.638 18214 312 1 . 1 1 60 60 LEU N N 60 121.360 121.360 125.047 -3.687 18214 313 1 . 1 1 60 60 LEU HA H 60 4.355 4.355 4.634 -0.279 18214 314 1 . 1 1 60 60 LEU C C 60 174.005 174.005 174.653 -0.648 18214 315 1 . 1 1 60 60 LEU CA C 60 53.830 53.830 54.396 -0.566 18214 316 1 . 1 1 60 60 LEU CB C 60 47.040 47.040 44.819 2.221 18214 317 1 . 1 1 60 60 LEU H H 60 8.457 8.457 8.530 -0.073 18214 318 1 . 1 1 61 61 LEU N N 61 127.886 127.886 129.427 -1.541 18214 319 1 . 1 1 61 61 LEU HA H 61 5.446 5.446 4.964 0.482 18214 320 1 . 1 1 61 61 LEU C C 61 175.910 175.910 176.457 -0.547 18214 321 1 . 1 1 61 61 LEU CA C 61 53.280 53.280 53.984 -0.704 18214 322 1 . 1 1 61 61 LEU CB C 61 45.970 45.970 41.684 4.286 18214 323 1 . 1 1 61 61 LEU H H 61 8.556 8.556 8.627 -0.071 18214 324 1 . 1 1 62 62 THR N N 62 120.607 120.607 119.484 1.123 18214 325 1 . 1 1 62 62 THR HA H 62 4.749 4.749 4.724 0.025 18214 326 1 . 1 1 62 62 THR C C 62 171.903 171.903 173.447 -1.544 18214 327 1 . 1 1 62 62 THR CA C 62 60.240 60.240 60.744 -0.504 18214 328 1 . 1 1 62 62 THR CB C 62 71.970 71.970 71.249 0.721 18214 329 1 . 1 1 62 62 THR H H 62 9.281 9.281 8.977 0.304 18214 stop_ save_