data_19682 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19682 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 19682 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.788 -0.038 19682 2 1 1 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.944 0.348 19682 3 1 1 . 1 1 2 2 HIS CB C 2 30.558 30.558 29.654 0.904 19682 4 1 1 . 1 1 2 2 HIS H H 2 8.134 8.134 8.592 -0.458 19682 5 1 1 . 1 1 3 3 MET N N 3 123.164 123.164 121.554 1.610 19682 6 1 1 . 1 1 3 3 MET HA H 3 4.494 4.494 4.730 -0.236 19682 7 1 1 . 1 1 3 3 MET C C 3 176.078 176.078 176.430 -0.352 19682 8 1 1 . 1 1 3 3 MET CA C 3 55.504 55.504 54.279 1.225 19682 9 1 1 . 1 1 3 3 MET CB C 3 32.860 32.860 32.092 0.768 19682 10 1 1 . 1 1 3 3 MET H H 3 8.419 8.419 8.106 0.313 19682 11 1 1 . 1 1 4 4 SER N N 4 117.403 117.403 117.431 -0.028 19682 12 1 1 . 1 1 4 4 SER HA H 4 4.439 4.439 4.479 -0.040 19682 13 1 1 . 1 1 4 4 SER C C 4 175.011 175.011 175.670 -0.659 19682 14 1 1 . 1 1 4 4 SER CA C 4 58.516 58.516 57.161 1.355 19682 15 1 1 . 1 1 4 4 SER CB C 4 63.773 63.773 61.694 2.079 19682 16 1 1 . 1 1 4 4 SER H H 4 8.416 8.416 7.444 0.972 19682 17 1 1 . 1 1 5 5 GLY N N 5 111.174 111.174 111.822 -0.648 19682 18 1 1 . 1 1 5 5 GLY C C 5 174.567 174.567 174.933 -0.366 19682 19 1 1 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.267 -0.082 19682 20 1 1 . 1 1 5 5 GLY H H 5 8.475 8.475 7.759 0.716 19682 21 1 1 . 1 1 6 6 GLY N N 6 108.594 108.594 108.260 0.334 19682 22 1 1 . 1 1 6 6 GLY C C 6 173.781 173.781 173.974 -0.193 19682 23 1 1 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.766 0.217 19682 24 1 1 . 1 1 6 6 GLY H H 6 8.274 8.274 8.133 0.141 19682 25 1 1 . 1 1 7 7 SER N N 7 116.558 116.558 118.707 -2.149 19682 26 1 1 . 1 1 7 7 SER C C 7 172.995 172.995 172.958 0.037 19682 27 1 1 . 1 1 7 7 SER CA C 7 56.387 56.387 57.006 -0.619 19682 28 1 1 . 1 1 7 7 SER CB C 7 63.508 63.508 64.196 -0.688 19682 29 1 1 . 1 1 7 7 SER H H 7 8.220 8.220 8.139 0.081 19682 30 1 1 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.540 -0.086 19682 31 1 1 . 1 1 8 8 PRO C C 8 176.864 176.864 176.743 0.121 19682 32 1 1 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.587 0.763 19682 33 1 1 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.372 -0.362 19682 34 1 1 . 1 1 9 9 LEU N N 9 121.497 121.497 123.973 -2.476 19682 35 1 1 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.536 -0.232 19682 36 1 1 . 1 1 9 9 LEU C C 9 177.237 177.237 176.736 0.501 19682 37 1 1 . 1 1 9 9 LEU CA C 9 55.023 55.023 53.888 1.135 19682 38 1 1 . 1 1 9 9 LEU CB C 9 42.353 42.353 40.435 1.918 19682 39 1 1 . 1 1 9 9 LEU H H 9 8.196 8.196 8.542 -0.346 19682 40 1 1 . 1 1 10 10 ALA N N 10 124.964 124.964 124.293 0.671 19682 41 1 1 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.364 0.038 19682 42 1 1 . 1 1 10 10 ALA C C 10 177.812 177.812 177.253 0.559 19682 43 1 1 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.426 -0.018 19682 44 1 1 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.256 0.982 19682 45 1 1 . 1 1 10 10 ALA H H 10 8.242 8.242 7.989 0.253 19682 46 1 1 . 1 1 11 11 THR N N 11 112.852 112.852 119.379 -6.527 19682 47 1 1 . 1 1 11 11 THR HA H 11 4.341 4.341 4.491 -0.150 19682 48 1 1 . 1 1 11 11 THR C C 11 175.181 175.181 174.620 0.561 19682 49 1 1 . 1 1 11 11 THR CA C 11 61.870 61.870 62.159 -0.289 19682 50 1 1 . 1 1 11 11 THR CB C 11 69.622 69.622 69.853 -0.231 19682 51 1 1 . 1 1 11 11 THR H H 11 8.081 8.081 7.940 0.141 19682 52 1 1 . 1 1 12 12 GLY N N 12 110.929 110.929 113.977 -3.048 19682 53 1 1 . 1 1 12 12 GLY C C 12 174.395 174.395 173.472 0.923 19682 54 1 1 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.121 0.255 19682 55 1 1 . 1 1 12 12 GLY H H 12 8.408 8.408 8.407 0.001 19682 56 1 1 . 1 1 13 13 THR N N 13 113.482 113.482 113.037 0.445 19682 57 1 1 . 1 1 13 13 THR HA H 13 4.445 4.445 4.388 0.057 19682 58 1 1 . 1 1 13 13 THR C C 13 174.889 174.889 173.758 1.131 19682 59 1 1 . 1 1 13 13 THR CA C 13 61.816 61.816 62.292 -0.476 19682 60 1 1 . 1 1 13 13 THR CB C 13 69.812 69.812 70.067 -0.256 19682 61 1 1 . 1 1 13 13 THR H H 13 8.130 8.130 7.887 0.243 19682 62 1 1 . 1 1 14 14 THR N N 14 116.080 116.080 123.426 -7.346 19682 63 1 1 . 1 1 14 14 THR HA H 14 4.370 4.370 4.400 -0.030 19682 64 1 1 . 1 1 14 14 THR C C 14 174.385 174.385 173.801 0.584 19682 65 1 1 . 1 1 14 14 THR CA C 14 61.788 61.788 62.311 -0.523 19682 66 1 1 . 1 1 14 14 THR CB C 14 69.696 69.696 68.558 1.138 19682 67 1 1 . 1 1 14 14 THR H H 14 8.199 8.199 8.477 -0.278 19682 68 1 1 . 1 1 15 15 ALA N N 15 126.054 126.054 130.092 -4.038 19682 69 1 1 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.461 -0.160 19682 70 1 1 . 1 1 15 15 ALA C C 15 177.469 177.469 176.373 1.096 19682 71 1 1 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.857 0.989 19682 72 1 1 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.675 0.509 19682 73 1 1 . 1 1 15 15 ALA H H 15 8.349 8.349 8.352 -0.003 19682 74 1 1 . 1 1 16 16 ASN N N 16 117.718 117.718 122.623 -4.905 19682 75 1 1 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.902 -0.158 19682 76 1 1 . 1 1 16 16 ASN C C 16 175.575 175.575 174.188 1.387 19682 77 1 1 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.523 -0.326 19682 78 1 1 . 1 1 16 16 ASN CB C 16 38.732 38.732 40.296 -1.564 19682 79 1 1 . 1 1 16 16 ASN H H 16 8.403 8.403 8.469 -0.066 19682 80 1 1 . 1 1 17 17 THR N N 17 114.153 114.153 114.742 -0.589 19682 81 1 1 . 1 1 17 17 THR HA H 17 4.312 4.312 4.532 -0.220 19682 82 1 1 . 1 1 17 17 THR C C 17 174.799 174.799 174.920 -0.121 19682 83 1 1 . 1 1 17 17 THR CA C 17 61.973 61.973 61.648 0.325 19682 84 1 1 . 1 1 17 17 THR CB C 17 69.624 69.624 70.016 -0.392 19682 85 1 1 . 1 1 17 17 THR H H 17 8.081 8.081 8.408 -0.327 19682 86 1 1 . 1 1 18 18 ARG N N 18 122.990 122.990 127.169 -4.179 19682 87 1 1 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.374 -0.049 19682 88 1 1 . 1 1 18 18 ARG C C 18 176.875 176.875 176.988 -0.113 19682 89 1 1 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.742 0.809 19682 90 1 1 . 1 1 18 18 ARG CB C 18 30.587 30.587 30.023 0.564 19682 91 1 1 . 1 1 18 18 ARG H H 18 8.351 8.351 8.782 -0.431 19682 92 1 1 . 1 1 19 19 GLY N N 19 109.993 109.993 111.834 -1.841 19682 93 1 1 . 1 1 19 19 GLY C C 19 174.002 174.002 174.172 -0.170 19682 94 1 1 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.708 0.606 19682 95 1 1 . 1 1 19 19 GLY H H 19 8.394 8.394 8.501 -0.107 19682 96 1 1 . 1 1 20 20 ALA N N 20 123.732 123.732 127.912 -4.180 19682 97 1 1 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.216 0.126 19682 98 1 1 . 1 1 20 20 ALA C C 20 178.034 178.034 177.779 0.255 19682 99 1 1 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.708 -0.058 19682 100 1 1 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.313 -0.092 19682 101 1 1 . 1 1 20 20 ALA H H 20 8.185 8.185 7.829 0.356 19682 102 1 1 . 1 1 21 21 SER N N 21 114.750 114.750 119.496 -4.746 19682 103 1 1 . 1 1 21 21 SER HA H 21 4.419 4.419 4.528 -0.109 19682 104 1 1 . 1 1 21 21 SER C C 21 174.627 174.627 173.788 0.839 19682 105 1 1 . 1 1 21 21 SER CA C 21 58.495 58.495 57.831 0.664 19682 106 1 1 . 1 1 21 21 SER CB C 21 63.697 63.697 62.816 0.881 19682 107 1 1 . 1 1 21 21 SER H H 21 8.319 8.319 8.492 -0.173 19682 108 1 1 . 1 1 22 22 GLN N N 22 122.092 122.092 125.819 -3.727 19682 109 1 1 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.583 -0.239 19682 110 1 1 . 1 1 22 22 GLN C C 22 175.857 175.857 176.771 -0.914 19682 111 1 1 . 1 1 22 22 GLN CA C 22 55.775 55.775 54.887 0.888 19682 112 1 1 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.779 0.619 19682 113 1 1 . 1 1 22 22 GLN H H 22 8.343 8.343 8.480 -0.137 19682 114 1 1 . 1 1 23 23 LYS N N 23 122.663 122.663 125.904 -3.241 19682 115 1 1 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.110 0.187 19682 116 1 1 . 1 1 23 23 LYS C C 23 176.502 176.502 177.105 -0.603 19682 117 1 1 . 1 1 23 23 LYS CA C 23 56.315 56.315 58.503 -2.188 19682 118 1 1 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.438 0.610 19682 119 1 1 . 1 1 23 23 LYS H H 23 8.309 8.309 8.717 -0.408 19682 120 1 1 . 1 1 24 24 LYS N N 24 123.434 123.434 119.553 3.881 19682 121 1 1 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.514 -0.188 19682 122 1 1 . 1 1 24 24 LYS C C 24 177.026 177.026 177.045 -0.019 19682 123 1 1 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.569 0.790 19682 124 1 1 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.354 0.639 19682 125 1 1 . 1 1 24 24 LYS H H 24 8.469 8.469 7.882 0.587 19682 126 1 1 . 1 1 25 25 GLY N N 25 110.813 110.813 109.746 1.067 19682 127 1 1 . 1 1 25 25 GLY C C 25 174.476 174.476 174.643 -0.167 19682 128 1 1 . 1 1 25 25 GLY CA C 25 45.274 45.274 46.406 -1.132 19682 129 1 1 . 1 1 25 25 GLY H H 25 8.531 8.531 7.891 0.640 19682 130 1 1 . 1 1 26 26 GLY N N 26 108.690 108.690 107.302 1.388 19682 131 1 1 . 1 1 26 26 GLY C C 26 173.851 173.851 172.608 1.243 19682 132 1 1 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.438 -0.369 19682 133 1 1 . 1 1 26 26 GLY H H 26 8.279 8.279 7.807 0.472 19682 134 1 1 . 1 1 27 27 GLU N N 27 121.707 121.707 121.468 0.239 19682 135 1 1 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.576 0.008 19682 136 1 1 . 1 1 27 27 GLU C C 27 174.204 174.204 173.805 0.399 19682 137 1 1 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.126 0.314 19682 138 1 1 . 1 1 27 27 GLU CB C 27 29.437 29.437 31.099 -1.662 19682 139 1 1 . 1 1 27 27 GLU H H 27 8.321 8.321 8.092 0.229 19682 140 1 1 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.903 -0.509 19682 141 1 1 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.398 1.413 19682 142 1 1 . 1 1 28 28 PRO CB C 28 32.158 32.158 32.367 -0.209 19682 143 1 1 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.414 -0.017 19682 144 1 1 . 1 1 29 29 PRO C C 29 176.462 176.462 176.122 0.340 19682 145 1 1 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.938 -0.094 19682 146 1 1 . 1 1 29 29 PRO CB C 29 31.961 31.961 31.317 0.644 19682 147 1 1 . 1 1 30 30 ALA N N 30 123.850 123.850 127.203 -3.353 19682 148 1 1 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.377 -0.103 19682 149 1 1 . 1 1 30 30 ALA C C 30 177.368 177.368 177.274 0.094 19682 150 1 1 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.968 0.289 19682 151 1 1 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.546 -0.309 19682 152 1 1 . 1 1 30 30 ALA H H 30 8.290 8.290 8.362 -0.072 19682 153 1 1 . 1 1 31 31 LEU N N 31 121.430 121.430 124.047 -2.617 19682 154 1 1 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.591 -0.258 19682 155 1 1 . 1 1 31 31 LEU C C 31 176.804 176.804 177.567 -0.763 19682 156 1 1 . 1 1 31 31 LEU CA C 31 55.015 55.015 53.595 1.420 19682 157 1 1 . 1 1 31 31 LEU CB C 31 42.444 42.444 43.243 -0.799 19682 158 1 1 . 1 1 31 31 LEU H H 31 8.139 8.139 8.343 -0.204 19682 159 1 1 . 1 1 32 32 ILE N N 32 123.070 123.070 120.614 2.456 19682 160 1 1 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.156 0.012 19682 161 1 1 . 1 1 32 32 ILE C C 32 175.887 175.887 176.354 -0.467 19682 162 1 1 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.518 -0.828 19682 163 1 1 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.471 1.006 19682 164 1 1 . 1 1 32 32 ILE H H 32 8.140 8.140 8.430 -0.290 19682 165 1 1 . 1 1 33 33 VAL N N 33 124.923 124.923 122.714 2.209 19682 166 1 1 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.006 0.081 19682 167 1 1 . 1 1 33 33 VAL C C 33 175.232 175.232 175.822 -0.590 19682 168 1 1 . 1 1 33 33 VAL CA C 33 61.851 61.851 63.600 -1.750 19682 169 1 1 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.038 0.882 19682 170 1 1 . 1 1 33 33 VAL H H 33 8.198 8.198 8.686 -0.488 19682 171 1 1 . 1 1 34 34 ASP N N 34 125.813 125.813 116.770 9.043 19682 172 1 1 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.974 -0.114 19682 173 1 1 . 1 1 34 34 ASP C C 34 174.919 174.919 174.990 -0.071 19682 174 1 1 . 1 1 34 34 ASP CA C 34 51.926 51.926 51.165 0.761 19682 175 1 1 . 1 1 34 34 ASP CB C 34 41.504 41.504 40.389 1.115 19682 176 1 1 . 1 1 34 34 ASP H H 34 8.336 8.336 7.954 0.382 19682 177 1 1 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.395 -0.031 19682 178 1 1 . 1 1 35 35 PRO C C 35 177.091 177.091 177.225 -0.134 19682 179 1 1 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.937 -0.423 19682 180 1 1 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.148 0.025 19682 181 1 1 . 1 1 36 36 LEU N N 36 119.977 119.977 118.204 1.773 19682 182 1 1 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.606 -0.350 19682 183 1 1 . 1 1 36 36 LEU C C 36 177.479 177.479 177.842 -0.363 19682 184 1 1 . 1 1 36 36 LEU CA C 36 55.226 55.226 55.416 -0.189 19682 185 1 1 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.215 -0.580 19682 186 1 1 . 1 1 36 36 LEU H H 36 8.316 8.316 7.944 0.372 19682 187 1 1 . 1 1 37 37 MET N N 37 120.231 120.231 118.678 1.553 19682 188 1 1 . 1 1 37 37 MET HA H 37 4.326 4.326 4.533 -0.207 19682 189 1 1 . 1 1 37 37 MET C C 37 175.171 175.171 174.708 0.463 19682 190 1 1 . 1 1 37 37 MET CA C 37 55.160 55.160 55.503 -0.343 19682 191 1 1 . 1 1 37 37 MET CB C 37 32.514 32.514 33.789 -1.275 19682 192 1 1 . 1 1 37 37 MET H H 37 7.893 7.893 7.671 0.222 19682 193 1 1 . 1 1 38 38 LYS N N 38 122.361 122.361 125.860 -3.499 19682 194 1 1 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.536 -0.376 19682 195 1 1 . 1 1 38 38 LYS C C 38 175.837 175.837 175.112 0.725 19682 196 1 1 . 1 1 38 38 LYS CA C 38 56.105 56.105 56.511 -0.406 19682 197 1 1 . 1 1 38 38 LYS CB C 38 33.214 33.214 34.046 -0.832 19682 198 1 1 . 1 1 38 38 LYS H H 38 7.929 7.929 8.374 -0.445 19682 199 1 1 . 1 1 39 39 TYR N N 39 120.347 120.347 124.635 -4.288 19682 200 1 1 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.404 0.166 19682 201 1 1 . 1 1 39 39 TYR C C 39 174.325 174.325 175.258 -0.933 19682 202 1 1 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.831 -1.407 19682 203 1 1 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.270 1.339 19682 204 1 1 . 1 1 39 39 TYR H H 39 8.020 8.020 8.813 -0.793 19682 205 1 1 . 1 1 40 40 ILE N N 40 119.688 119.688 121.857 -2.169 19682 206 1 1 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.163 -0.188 19682 207 1 1 . 1 1 40 40 ILE C C 40 175.181 175.181 174.705 0.476 19682 208 1 1 . 1 1 40 40 ILE CA C 40 58.580 58.580 59.238 -0.658 19682 209 1 1 . 1 1 40 40 ILE CB C 40 39.694 39.694 41.066 -1.373 19682 210 1 1 . 1 1 40 40 ILE H H 40 8.000 8.000 7.734 0.266 19682 211 1 1 . 1 1 41 41 CYS N N 41 129.049 129.049 127.253 1.796 19682 212 1 1 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.450 -0.478 19682 213 1 1 . 1 1 41 41 CYS C C 41 177.197 177.197 176.396 0.801 19682 214 1 1 . 1 1 41 41 CYS CA C 41 59.057 59.057 57.682 1.375 19682 215 1 1 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.554 5.820 19682 216 1 1 . 1 1 41 41 CYS H H 41 7.990 7.990 8.485 -0.495 19682 217 1 1 . 1 1 42 42 HIS N N 42 127.633 127.633 127.365 0.268 19682 218 1 1 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.218 -0.086 19682 219 1 1 . 1 1 42 42 HIS C C 42 174.385 174.385 176.434 -2.049 19682 220 1 1 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.809 -0.818 19682 221 1 1 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.642 -0.942 19682 222 1 1 . 1 1 42 42 HIS H H 42 8.933 8.933 8.241 0.692 19682 223 1 1 . 1 1 43 43 ILE N N 43 119.482 119.482 119.987 -0.505 19682 224 1 1 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.863 0.302 19682 225 1 1 . 1 1 43 43 ILE C C 43 176.673 176.673 177.094 -0.421 19682 226 1 1 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.793 -1.671 19682 227 1 1 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.291 0.042 19682 228 1 1 . 1 1 43 43 ILE H H 43 8.944 8.944 8.273 0.671 19682 229 1 1 . 1 1 44 44 CYS N N 44 117.996 117.996 115.254 2.742 19682 230 1 1 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.842 0.042 19682 231 1 1 . 1 1 44 44 CYS C C 44 176.008 176.008 175.651 0.357 19682 232 1 1 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.900 1.101 19682 233 1 1 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.961 3.094 19682 234 1 1 . 1 1 44 44 CYS H H 44 8.221 8.221 8.111 0.110 19682 235 1 1 . 1 1 45 45 ASN N N 45 117.410 117.410 116.884 0.526 19682 236 1 1 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.275 0.112 19682 237 1 1 . 1 1 45 45 ASN C C 45 173.893 173.893 173.987 -0.094 19682 238 1 1 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.977 0.037 19682 239 1 1 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.446 0.408 19682 240 1 1 . 1 1 45 45 ASN H H 45 8.040 8.040 8.440 -0.400 19682 241 1 1 . 1 1 46 46 ARG N N 46 117.127 117.127 118.131 -1.004 19682 242 1 1 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.566 0.154 19682 243 1 1 . 1 1 46 46 ARG C C 46 176.865 176.865 175.934 0.931 19682 244 1 1 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.691 0.736 19682 245 1 1 . 1 1 46 46 ARG CB C 46 34.152 34.152 33.663 0.488 19682 246 1 1 . 1 1 46 46 ARG H H 46 8.201 8.201 7.372 0.829 19682 247 1 1 . 1 1 47 47 GLY N N 47 109.334 109.334 110.294 -0.960 19682 248 1 1 . 1 1 47 47 GLY C C 47 173.670 173.670 174.342 -0.672 19682 249 1 1 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.271 0.746 19682 250 1 1 . 1 1 47 47 GLY H H 47 8.902 8.902 8.750 0.152 19682 251 1 1 . 1 1 48 48 ASP N N 48 117.908 117.908 121.856 -3.948 19682 252 1 1 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.317 0.383 19682 253 1 1 . 1 1 48 48 ASP C C 48 173.871 173.871 176.638 -2.767 19682 254 1 1 . 1 1 48 48 ASP CA C 48 52.409 52.409 57.279 -4.870 19682 255 1 1 . 1 1 48 48 ASP CB C 48 40.859 40.859 40.865 -0.006 19682 256 1 1 . 1 1 48 48 ASP H H 48 8.046 8.046 7.811 0.235 19682 257 1 1 . 1 1 49 49 VAL N N 49 117.921 117.921 119.641 -1.720 19682 258 1 1 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.297 -0.594 19682 259 1 1 . 1 1 49 49 VAL C C 49 177.096 177.096 176.473 0.623 19682 260 1 1 . 1 1 49 49 VAL CA C 49 62.491 62.491 60.767 1.724 19682 261 1 1 . 1 1 49 49 VAL CB C 49 29.423 29.423 31.468 -2.045 19682 262 1 1 . 1 1 49 49 VAL H H 49 8.772 8.772 7.382 1.390 19682 263 1 1 . 1 1 50 50 GLU N N 50 120.434 120.434 127.111 -6.677 19682 264 1 1 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.136 -0.304 19682 265 1 1 . 1 1 50 50 GLU C C 50 178.779 178.779 178.353 0.426 19682 266 1 1 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.506 0.414 19682 267 1 1 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.666 -0.529 19682 268 1 1 . 1 1 50 50 GLU H H 50 9.047 9.047 9.058 -0.011 19682 269 1 1 . 1 1 51 51 GLU N N 51 119.158 119.158 118.734 0.424 19682 270 1 1 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.212 0.095 19682 271 1 1 . 1 1 51 51 GLU C C 51 177.358 177.358 177.040 0.318 19682 272 1 1 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.169 0.087 19682 273 1 1 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.110 -0.885 19682 274 1 1 . 1 1 51 51 GLU H H 51 9.822 9.822 8.842 0.980 19682 275 1 1 . 1 1 52 52 SER N N 52 116.430 116.430 114.091 2.339 19682 276 1 1 . 1 1 52 52 SER HA H 52 4.716 4.716 4.625 0.091 19682 277 1 1 . 1 1 52 52 SER C C 52 172.309 172.309 172.812 -0.503 19682 278 1 1 . 1 1 52 52 SER CA C 52 57.745 57.745 57.828 -0.083 19682 279 1 1 . 1 1 52 52 SER CB C 52 64.494 64.494 63.751 0.743 19682 280 1 1 . 1 1 52 52 SER H H 52 8.291 8.291 7.715 0.576 19682 281 1 1 . 1 1 53 53 MET N N 53 121.812 121.812 123.466 -1.654 19682 282 1 1 . 1 1 53 53 MET HA H 53 4.577 4.577 4.986 -0.409 19682 283 1 1 . 1 1 53 53 MET C C 53 174.385 174.385 175.310 -0.925 19682 284 1 1 . 1 1 53 53 MET CA C 53 54.784 54.784 55.375 -0.591 19682 285 1 1 . 1 1 53 53 MET CB C 53 33.410 33.410 33.433 -0.023 19682 286 1 1 . 1 1 53 53 MET H H 53 7.648 7.648 7.213 0.435 19682 287 1 1 . 1 1 54 54 LEU N N 54 128.167 128.167 127.858 0.309 19682 288 1 1 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.614 -0.366 19682 289 1 1 . 1 1 54 54 LEU C C 54 175.111 175.111 175.179 -0.068 19682 290 1 1 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.570 0.053 19682 291 1 1 . 1 1 54 54 LEU CB C 54 43.759 43.759 44.189 -0.430 19682 292 1 1 . 1 1 54 54 LEU H H 54 9.007 9.007 8.733 0.274 19682 293 1 1 . 1 1 55 55 LEU N N 55 122.173 122.173 122.574 -0.401 19682 294 1 1 . 1 1 55 55 LEU HA H 55 4.805 4.805 5.277 -0.472 19682 295 1 1 . 1 1 55 55 LEU C C 55 176.260 176.260 176.343 -0.083 19682 296 1 1 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.351 -0.104 19682 297 1 1 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.590 -0.318 19682 298 1 1 . 1 1 55 55 LEU H H 55 8.139 8.139 8.204 -0.065 19682 299 1 1 . 1 1 56 56 CYS N N 56 126.541 126.541 128.463 -1.922 19682 300 1 1 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.691 0.035 19682 301 1 1 . 1 1 56 56 CYS C C 56 177.671 177.671 176.425 1.246 19682 302 1 1 . 1 1 56 56 CYS CA C 56 60.220 60.220 59.052 1.168 19682 303 1 1 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.648 4.434 19682 304 1 1 . 1 1 56 56 CYS H H 56 8.996 8.996 8.955 0.041 19682 305 1 1 . 1 1 57 57 ASP N N 57 130.338 130.338 129.472 0.866 19682 306 1 1 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.417 0.250 19682 307 1 1 . 1 1 57 57 ASP C C 57 176.159 176.159 177.587 -1.428 19682 308 1 1 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.900 0.557 19682 309 1 1 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.112 1.089 19682 310 1 1 . 1 1 57 57 ASP H H 57 9.373 9.373 8.666 0.707 19682 311 1 1 . 1 1 58 58 GLY N N 58 114.137 114.137 106.509 7.628 19682 312 1 1 . 1 1 58 58 GLY C C 58 174.801 174.801 173.228 1.573 19682 313 1 1 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.432 1.550 19682 314 1 1 . 1 1 58 58 GLY H H 58 10.023 10.023 8.313 1.710 19682 315 1 1 . 1 1 59 59 CYS N N 59 120.775 120.775 117.646 3.129 19682 316 1 1 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.578 0.313 19682 317 1 1 . 1 1 59 59 CYS C C 59 175.564 175.564 172.511 3.053 19682 318 1 1 . 1 1 59 59 CYS CA C 59 58.741 58.741 58.637 0.104 19682 319 1 1 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.522 3.557 19682 320 1 1 . 1 1 59 59 CYS H H 59 8.132 8.132 7.384 0.748 19682 321 1 1 . 1 1 60 60 ASP N N 60 119.232 119.232 121.222 -1.990 19682 322 1 1 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.866 -0.177 19682 323 1 1 . 1 1 60 60 ASP C C 60 174.738 174.738 174.060 0.678 19682 324 1 1 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.805 1.660 19682 325 1 1 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.898 -0.857 19682 326 1 1 . 1 1 60 60 ASP H H 60 8.085 8.085 8.434 -0.349 19682 327 1 1 . 1 1 61 61 ASP N N 61 121.704 121.704 123.530 -1.826 19682 328 1 1 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.827 0.022 19682 329 1 1 . 1 1 61 61 ASP C C 61 175.454 175.454 174.663 0.791 19682 330 1 1 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.595 0.898 19682 331 1 1 . 1 1 61 61 ASP CB C 61 42.194 42.194 43.588 -1.394 19682 332 1 1 . 1 1 61 61 ASP H H 61 8.703 8.703 8.278 0.425 19682 333 1 1 . 1 1 62 62 SER N N 62 113.381 113.381 118.253 -4.872 19682 334 1 1 . 1 1 62 62 SER HA H 62 5.703 5.703 5.365 0.338 19682 335 1 1 . 1 1 62 62 SER C C 62 173.821 173.821 173.715 0.106 19682 336 1 1 . 1 1 62 62 SER CA C 62 56.165 56.165 58.447 -2.281 19682 337 1 1 . 1 1 62 62 SER CB C 62 65.275 65.275 63.876 1.399 19682 338 1 1 . 1 1 62 62 SER H H 62 8.313 8.313 8.839 -0.526 19682 339 1 1 . 1 1 63 63 TYR N N 63 120.467 120.467 124.792 -4.325 19682 340 1 1 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.637 0.714 19682 341 1 1 . 1 1 63 63 TYR C C 63 175.393 175.393 174.609 0.784 19682 342 1 1 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.831 -0.144 19682 343 1 1 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.096 2.230 19682 344 1 1 . 1 1 63 63 TYR H H 63 8.815 8.815 8.978 -0.163 19682 345 1 1 . 1 1 64 64 HIS N N 64 121.957 121.957 120.857 1.100 19682 346 1 1 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.128 -0.278 19682 347 1 1 . 1 1 64 64 HIS C C 64 178.559 178.559 177.015 1.544 19682 348 1 1 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.233 2.257 19682 349 1 1 . 1 1 64 64 HIS CB C 64 31.036 31.036 32.132 -1.096 19682 350 1 1 . 1 1 64 64 HIS H H 64 9.276 9.276 8.208 1.068 19682 351 1 1 . 1 1 65 65 THR N N 65 113.100 113.100 117.321 -4.221 19682 352 1 1 . 1 1 65 65 THR HA H 65 3.603 3.603 3.818 -0.215 19682 353 1 1 . 1 1 65 65 THR C C 65 176.824 176.824 175.927 0.897 19682 354 1 1 . 1 1 65 65 THR CA C 65 64.805 64.805 65.490 -0.685 19682 355 1 1 . 1 1 65 65 THR CB C 65 66.441 66.441 68.520 -2.079 19682 356 1 1 . 1 1 65 65 THR H H 65 8.832 8.832 8.203 0.629 19682 357 1 1 . 1 1 66 66 PHE N N 66 111.288 111.288 119.748 -8.460 19682 358 1 1 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.345 0.380 19682 359 1 1 . 1 1 66 66 PHE C C 66 176.846 176.846 177.473 -0.627 19682 360 1 1 . 1 1 66 66 PHE CA C 66 56.215 56.215 60.710 -4.495 19682 361 1 1 . 1 1 66 66 PHE CB C 66 37.430 37.430 38.000 -0.570 19682 362 1 1 . 1 1 66 66 PHE H H 66 6.541 6.541 7.761 -1.220 19682 363 1 1 . 1 1 67 67 CYS N N 67 123.228 123.228 115.276 7.952 19682 364 1 1 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.444 0.049 19682 365 1 1 . 1 1 67 67 CYS C C 67 174.627 174.627 175.141 -0.514 19682 366 1 1 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.384 2.752 19682 367 1 1 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.529 4.074 19682 368 1 1 . 1 1 67 67 CYS H H 67 7.384 7.384 8.208 -0.824 19682 369 1 1 . 1 1 68 68 LEU N N 68 119.645 119.645 120.955 -1.310 19682 370 1 1 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.460 -0.333 19682 371 1 1 . 1 1 68 68 LEU C C 68 174.738 174.738 175.368 -0.630 19682 372 1 1 . 1 1 68 68 LEU CA C 68 55.011 55.011 54.195 0.816 19682 373 1 1 . 1 1 68 68 LEU CB C 68 44.123 44.123 43.244 0.879 19682 374 1 1 . 1 1 68 68 LEU H H 68 6.514 6.514 7.279 -0.765 19682 375 1 1 . 1 1 69 69 LEU N N 69 119.803 119.803 122.488 -2.685 19682 376 1 1 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.753 -0.070 19682 377 1 1 . 1 1 69 69 LEU C C 69 174.879 174.879 175.695 -0.816 19682 378 1 1 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.900 -1.683 19682 379 1 1 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.822 2.513 19682 380 1 1 . 1 1 69 69 LEU H H 69 8.050 8.050 8.366 -0.316 19682 381 1 1 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.860 0.174 19682 382 1 1 . 1 1 70 70 PRO CA C 70 62.045 62.045 60.940 1.105 19682 383 1 1 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.546 1.487 19682 384 1 1 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.665 -0.217 19682 385 1 1 . 1 1 71 71 PRO C C 71 177.632 177.632 177.005 0.627 19682 386 1 1 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.960 0.028 19682 387 1 1 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.290 -0.161 19682 388 1 1 . 1 1 72 72 LEU N N 72 121.033 121.033 124.896 -3.863 19682 389 1 1 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.137 0.509 19682 390 1 1 . 1 1 72 72 LEU C C 72 177.983 177.983 177.581 0.402 19682 391 1 1 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.954 -0.917 19682 392 1 1 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.282 3.102 19682 393 1 1 . 1 1 72 72 LEU H H 72 7.660 7.660 7.838 -0.178 19682 394 1 1 . 1 1 73 73 THR N N 73 112.645 112.645 118.939 -6.294 19682 395 1 1 . 1 1 73 73 THR HA H 73 4.289 4.289 4.067 0.222 19682 396 1 1 . 1 1 73 73 THR C C 73 174.305 174.305 174.875 -0.570 19682 397 1 1 . 1 1 73 73 THR CA C 73 62.324 62.324 64.561 -2.237 19682 398 1 1 . 1 1 73 73 THR CB C 73 69.019 69.019 69.041 -0.022 19682 399 1 1 . 1 1 73 73 THR H H 73 8.694 8.694 8.328 0.366 19682 400 1 1 . 1 1 74 74 SER N N 74 114.234 114.234 116.861 -2.627 19682 401 1 1 . 1 1 74 74 SER HA H 74 4.584 4.584 4.595 -0.011 19682 402 1 1 . 1 1 74 74 SER C C 74 172.833 172.833 173.499 -0.666 19682 403 1 1 . 1 1 74 74 SER CA C 74 56.827 56.827 57.491 -0.664 19682 404 1 1 . 1 1 74 74 SER CB C 74 64.678 64.678 64.871 -0.193 19682 405 1 1 . 1 1 74 74 SER H H 74 7.503 7.503 7.685 -0.182 19682 406 1 1 . 1 1 75 75 ILE N N 75 123.720 123.720 125.437 -1.717 19682 407 1 1 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.215 -0.136 19682 408 1 1 . 1 1 75 75 ILE C C 75 174.819 174.819 174.533 0.286 19682 409 1 1 . 1 1 75 75 ILE CA C 75 58.608 58.608 57.687 0.921 19682 410 1 1 . 1 1 75 75 ILE CB C 75 37.788 37.788 36.833 0.955 19682 411 1 1 . 1 1 75 75 ILE H H 75 8.498 8.498 8.272 0.226 19682 412 1 1 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.405 0.003 19682 413 1 1 . 1 1 76 76 PRO C C 76 176.339 176.339 176.486 -0.147 19682 414 1 1 . 1 1 76 76 PRO CA C 76 63.004 63.004 63.304 -0.300 19682 415 1 1 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.071 0.065 19682 416 1 1 . 1 1 77 77 LYS N N 77 121.662 121.662 124.735 -3.073 19682 417 1 1 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.167 0.168 19682 418 1 1 . 1 1 77 77 LYS C C 77 177.278 177.278 177.621 -0.343 19682 419 1 1 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.359 -1.061 19682 420 1 1 . 1 1 77 77 LYS CB C 77 32.777 32.777 32.562 0.215 19682 421 1 1 . 1 1 77 77 LYS H H 77 8.516 8.516 8.523 -0.007 19682 422 1 1 . 1 1 78 78 GLY N N 78 110.250 110.250 107.614 2.636 19682 423 1 1 . 1 1 78 78 GLY C C 78 172.995 172.995 173.550 -0.555 19682 424 1 1 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.442 0.104 19682 425 1 1 . 1 1 78 78 GLY H H 78 8.150 8.150 7.731 0.419 19682 426 1 1 . 1 1 79 79 GLU N N 79 121.820 121.820 119.495 2.325 19682 427 1 1 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.182 0.187 19682 428 1 1 . 1 1 79 79 GLU C C 79 175.847 175.847 175.999 -0.152 19682 429 1 1 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.898 0.079 19682 430 1 1 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.975 0.663 19682 431 1 1 . 1 1 79 79 GLU H H 79 8.342 8.342 8.401 -0.059 19682 432 1 1 . 1 1 80 80 TRP N N 80 126.690 126.690 127.283 -0.593 19682 433 1 1 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.760 -0.246 19682 434 1 1 . 1 1 80 80 TRP C C 80 172.733 172.733 174.465 -1.732 19682 435 1 1 . 1 1 80 80 TRP CA C 80 59.568 59.568 57.480 2.088 19682 436 1 1 . 1 1 80 80 TRP CB C 80 30.409 30.409 30.354 0.055 19682 437 1 1 . 1 1 80 80 TRP H H 80 9.370 9.370 8.776 0.594 19682 438 1 1 . 1 1 81 81 LEU N N 81 125.572 125.572 128.317 -2.745 19682 439 1 1 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.165 0.856 19682 440 1 1 . 1 1 81 81 LEU C C 81 174.617 174.617 175.638 -1.021 19682 441 1 1 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.719 -1.285 19682 442 1 1 . 1 1 81 81 LEU CB C 81 44.860 44.860 42.621 2.239 19682 443 1 1 . 1 1 81 81 LEU H H 81 6.540 6.540 7.881 -1.341 19682 444 1 1 . 1 1 82 82 CYS N N 82 125.868 125.868 121.056 4.812 19682 445 1 1 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.546 -0.017 19682 446 1 1 . 1 1 82 82 CYS C C 82 172.652 172.652 175.545 -2.893 19682 447 1 1 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.020 1.542 19682 448 1 1 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.322 3.222 19682 449 1 1 . 1 1 82 82 CYS H H 82 9.086 9.086 7.907 1.179 19682 450 1 1 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.951 0.117 19682 451 1 1 . 1 1 83 83 PRO C C 83 178.541 178.541 178.648 -0.107 19682 452 1 1 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.472 -0.205 19682 453 1 1 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.756 0.453 19682 454 1 1 . 1 1 84 84 ARG N N 84 117.140 117.140 119.035 -1.895 19682 455 1 1 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.093 0.104 19682 456 1 1 . 1 1 84 84 ARG C C 84 177.983 177.983 177.058 0.925 19682 457 1 1 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.706 -0.170 19682 458 1 1 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.674 1.141 19682 459 1 1 . 1 1 84 84 ARG H H 84 8.041 8.041 8.352 -0.311 19682 460 1 1 . 1 1 85 85 CYS N N 85 123.417 123.417 115.193 8.224 19682 461 1 1 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.338 -0.435 19682 462 1 1 . 1 1 85 85 CYS C C 85 177.298 177.298 175.933 1.365 19682 463 1 1 . 1 1 85 85 CYS CA C 85 64.168 64.168 59.471 4.697 19682 464 1 1 . 1 1 85 85 CYS CB C 85 30.038 30.038 27.402 2.636 19682 465 1 1 . 1 1 85 85 CYS H H 85 8.210 8.210 7.664 0.546 19682 466 1 1 . 1 1 86 86 VAL N N 86 118.037 118.037 118.600 -0.563 19682 467 1 1 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.673 -0.033 19682 468 1 1 . 1 1 86 86 VAL C C 86 176.623 176.623 177.013 -0.390 19682 469 1 1 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.082 -0.574 19682 470 1 1 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.713 0.089 19682 471 1 1 . 1 1 86 86 VAL H H 86 7.951 7.951 7.614 0.337 19682 472 1 1 . 1 1 87 87 VAL N N 87 119.227 119.227 119.465 -0.238 19682 473 1 1 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.917 0.059 19682 474 1 1 . 1 1 87 87 VAL C C 87 176.774 176.774 174.868 1.906 19682 475 1 1 . 1 1 87 87 VAL CA C 87 63.182 63.182 62.163 1.019 19682 476 1 1 . 1 1 87 87 VAL CB C 87 32.210 32.210 29.531 2.679 19682 477 1 1 . 1 1 87 87 VAL H H 87 7.255 7.255 7.306 -0.051 19682 478 1 1 . 1 1 88 88 GLU N N 88 122.469 122.469 124.793 -2.324 19682 479 1 1 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.556 -0.357 19682 480 1 1 . 1 1 88 88 GLU C C 88 176.623 176.623 175.490 1.133 19682 481 1 1 . 1 1 88 88 GLU CA C 88 56.950 56.950 55.131 1.819 19682 482 1 1 . 1 1 88 88 GLU CB C 88 30.090 30.090 31.572 -1.482 19682 483 1 1 . 1 1 88 88 GLU H H 88 7.986 7.986 7.870 0.116 19682 484 1 1 . 1 1 89 89 GLU N N 89 121.343 121.343 119.669 1.674 19682 485 1 1 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.463 -0.274 19682 486 1 1 . 1 1 89 89 GLU C C 89 176.744 176.744 177.563 -0.819 19682 487 1 1 . 1 1 89 89 GLU CA C 89 56.956 56.956 54.737 2.219 19682 488 1 1 . 1 1 89 89 GLU CB C 89 29.912 29.912 31.104 -1.192 19682 489 1 1 . 1 1 89 89 GLU H H 89 8.168 8.168 8.352 -0.184 19682 490 1 1 . 1 1 90 90 VAL N N 90 120.127 120.127 121.551 -1.424 19682 491 1 1 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.724 0.360 19682 492 1 1 . 1 1 90 90 VAL C C 90 176.290 176.290 176.342 -0.052 19682 493 1 1 . 1 1 90 90 VAL CA C 90 62.592 62.592 64.885 -2.293 19682 494 1 1 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.833 0.694 19682 495 1 1 . 1 1 90 90 VAL H H 90 8.027 8.027 8.373 -0.346 19682 496 1 1 . 1 1 91 91 SER N N 91 118.678 118.678 115.836 2.842 19682 497 1 1 . 1 1 91 91 SER HA H 91 4.439 4.439 4.517 -0.078 19682 498 1 1 . 1 1 91 91 SER C C 91 173.932 173.932 173.877 0.055 19682 499 1 1 . 1 1 91 91 SER CA C 91 58.189 58.189 58.294 -0.105 19682 500 1 1 . 1 1 91 91 SER CB C 91 63.706 63.706 62.377 1.329 19682 501 1 1 . 1 1 91 91 SER H H 91 8.222 8.222 8.025 0.197 19682 502 1 1 . 1 1 92 92 LYS N N 92 124.547 124.547 126.101 -1.554 19682 503 1 1 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.511 0.096 19682 504 1 1 . 1 1 92 92 LYS C C 92 174.395 174.395 176.465 -2.070 19682 505 1 1 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.090 0.181 19682 506 1 1 . 1 1 92 92 LYS CB C 92 32.646 32.646 31.851 0.795 19682 507 1 1 . 1 1 92 92 LYS H H 92 8.165 8.165 7.820 0.345 19682 508 1 1 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.544 -0.125 19682 509 1 1 . 1 1 93 93 PRO C C 93 176.194 176.194 175.886 0.308 19682 510 1 1 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.124 0.294 19682 511 1 1 . 1 1 93 93 PRO CB C 93 31.896 31.896 30.349 1.547 19682 512 1 2 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.346 0.404 19682 513 1 2 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.511 -0.219 19682 514 1 2 . 1 1 2 2 HIS CB C 2 30.558 30.558 28.910 1.648 19682 515 1 2 . 1 1 2 2 HIS H H 2 8.134 8.134 8.035 0.099 19682 516 1 2 . 1 1 3 3 MET N N 3 123.164 123.164 118.552 4.612 19682 517 1 2 . 1 1 3 3 MET HA H 3 4.494 4.494 4.599 -0.105 19682 518 1 2 . 1 1 3 3 MET C C 3 176.078 176.078 176.708 -0.630 19682 519 1 2 . 1 1 3 3 MET CA C 3 55.504 55.504 54.846 0.658 19682 520 1 2 . 1 1 3 3 MET CB C 3 32.860 32.860 32.622 0.238 19682 521 1 2 . 1 1 3 3 MET H H 3 8.419 8.419 8.030 0.389 19682 522 1 2 . 1 1 4 4 SER N N 4 117.403 117.403 115.211 2.192 19682 523 1 2 . 1 1 4 4 SER HA H 4 4.439 4.439 4.337 0.102 19682 524 1 2 . 1 1 4 4 SER C C 4 175.011 175.011 176.537 -1.526 19682 525 1 2 . 1 1 4 4 SER CA C 4 58.516 58.516 59.194 -0.678 19682 526 1 2 . 1 1 4 4 SER CB C 4 63.773 63.773 63.320 0.453 19682 527 1 2 . 1 1 4 4 SER H H 4 8.416 8.416 7.986 0.430 19682 528 1 2 . 1 1 5 5 GLY N N 5 111.174 111.174 111.160 0.014 19682 529 1 2 . 1 1 5 5 GLY C C 5 174.567 174.567 175.721 -1.154 19682 530 1 2 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.308 -0.123 19682 531 1 2 . 1 1 5 5 GLY H H 5 8.475 8.475 8.584 -0.109 19682 532 1 2 . 1 1 6 6 GLY N N 6 108.594 108.594 111.722 -3.128 19682 533 1 2 . 1 1 6 6 GLY C C 6 173.781 173.781 174.634 -0.853 19682 534 1 2 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.583 -0.600 19682 535 1 2 . 1 1 6 6 GLY H H 6 8.274 8.274 8.000 0.274 19682 536 1 2 . 1 1 7 7 SER N N 7 116.558 116.558 119.536 -2.978 19682 537 1 2 . 1 1 7 7 SER C C 7 172.995 172.995 172.930 0.065 19682 538 1 2 . 1 1 7 7 SER CA C 7 56.387 56.387 55.102 1.285 19682 539 1 2 . 1 1 7 7 SER CB C 7 63.508 63.508 64.159 -0.651 19682 540 1 2 . 1 1 7 7 SER H H 7 8.220 8.220 7.962 0.258 19682 541 1 2 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.477 -0.023 19682 542 1 2 . 1 1 8 8 PRO C C 8 176.864 176.864 175.908 0.956 19682 543 1 2 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.875 0.474 19682 544 1 2 . 1 1 8 8 PRO CB C 8 32.010 32.010 30.647 1.363 19682 545 1 2 . 1 1 9 9 LEU N N 9 121.497 121.497 124.131 -2.634 19682 546 1 2 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.295 0.009 19682 547 1 2 . 1 1 9 9 LEU C C 9 177.237 177.237 176.857 0.380 19682 548 1 2 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.372 0.651 19682 549 1 2 . 1 1 9 9 LEU CB C 9 42.353 42.353 40.466 1.887 19682 550 1 2 . 1 1 9 9 LEU H H 9 8.196 8.196 7.909 0.287 19682 551 1 2 . 1 1 10 10 ALA N N 10 124.964 124.964 127.073 -2.109 19682 552 1 2 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.560 -0.158 19682 553 1 2 . 1 1 10 10 ALA C C 10 177.812 177.812 177.577 0.235 19682 554 1 2 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.415 0.993 19682 555 1 2 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.142 0.096 19682 556 1 2 . 1 1 10 10 ALA H H 10 8.242 8.242 8.367 -0.125 19682 557 1 2 . 1 1 11 11 THR N N 11 112.852 112.852 113.395 -0.543 19682 558 1 2 . 1 1 11 11 THR HA H 11 4.341 4.341 4.281 0.060 19682 559 1 2 . 1 1 11 11 THR C C 11 175.181 175.181 174.488 0.693 19682 560 1 2 . 1 1 11 11 THR CA C 11 61.870 61.870 62.335 -0.465 19682 561 1 2 . 1 1 11 11 THR CB C 11 69.622 69.622 67.776 1.846 19682 562 1 2 . 1 1 11 11 THR H H 11 8.081 8.081 7.650 0.431 19682 563 1 2 . 1 1 12 12 GLY N N 12 110.929 110.929 114.008 -3.079 19682 564 1 2 . 1 1 12 12 GLY C C 12 174.395 174.395 173.391 1.004 19682 565 1 2 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.398 -0.022 19682 566 1 2 . 1 1 12 12 GLY H H 12 8.408 8.408 8.031 0.377 19682 567 1 2 . 1 1 13 13 THR N N 13 113.482 113.482 118.723 -5.241 19682 568 1 2 . 1 1 13 13 THR HA H 13 4.445 4.445 4.536 -0.091 19682 569 1 2 . 1 1 13 13 THR C C 13 174.889 174.889 174.978 -0.089 19682 570 1 2 . 1 1 13 13 THR CA C 13 61.816 61.816 61.891 -0.075 19682 571 1 2 . 1 1 13 13 THR CB C 13 69.812 69.812 69.393 0.419 19682 572 1 2 . 1 1 13 13 THR H H 13 8.130 8.130 7.978 0.152 19682 573 1 2 . 1 1 14 14 THR N N 14 116.080 116.080 119.267 -3.187 19682 574 1 2 . 1 1 14 14 THR HA H 14 4.370 4.370 4.415 -0.045 19682 575 1 2 . 1 1 14 14 THR C C 14 174.385 174.385 174.351 0.034 19682 576 1 2 . 1 1 14 14 THR CA C 14 61.788 61.788 61.050 0.738 19682 577 1 2 . 1 1 14 14 THR CB C 14 69.696 69.696 68.200 1.496 19682 578 1 2 . 1 1 14 14 THR H H 14 8.199 8.199 8.138 0.061 19682 579 1 2 . 1 1 15 15 ALA N N 15 126.054 126.054 128.074 -2.020 19682 580 1 2 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.206 0.095 19682 581 1 2 . 1 1 15 15 ALA C C 15 177.469 177.469 177.190 0.279 19682 582 1 2 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.095 0.751 19682 583 1 2 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.785 0.399 19682 584 1 2 . 1 1 15 15 ALA H H 15 8.349 8.349 7.840 0.509 19682 585 1 2 . 1 1 16 16 ASN N N 16 117.718 117.718 122.525 -4.807 19682 586 1 2 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.749 -0.005 19682 587 1 2 . 1 1 16 16 ASN C C 16 175.575 175.575 175.498 0.077 19682 588 1 2 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.708 0.489 19682 589 1 2 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.299 -0.567 19682 590 1 2 . 1 1 16 16 ASN H H 16 8.403 8.403 8.134 0.269 19682 591 1 2 . 1 1 17 17 THR N N 17 114.153 114.153 113.490 0.663 19682 592 1 2 . 1 1 17 17 THR HA H 17 4.312 4.312 4.285 0.027 19682 593 1 2 . 1 1 17 17 THR C C 17 174.799 174.799 174.540 0.259 19682 594 1 2 . 1 1 17 17 THR CA C 17 61.973 61.973 62.285 -0.312 19682 595 1 2 . 1 1 17 17 THR CB C 17 69.624 69.624 68.270 1.354 19682 596 1 2 . 1 1 17 17 THR H H 17 8.081 8.081 8.395 -0.314 19682 597 1 2 . 1 1 18 18 ARG N N 18 122.990 122.990 126.477 -3.487 19682 598 1 2 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.094 0.231 19682 599 1 2 . 1 1 18 18 ARG C C 18 176.875 176.875 177.249 -0.374 19682 600 1 2 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.825 0.725 19682 601 1 2 . 1 1 18 18 ARG CB C 18 30.587 30.587 29.744 0.843 19682 602 1 2 . 1 1 18 18 ARG H H 18 8.351 8.351 8.044 0.307 19682 603 1 2 . 1 1 19 19 GLY N N 19 109.993 109.993 106.424 3.569 19682 604 1 2 . 1 1 19 19 GLY C C 19 174.002 174.002 174.070 -0.068 19682 605 1 2 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.831 0.483 19682 606 1 2 . 1 1 19 19 GLY H H 19 8.394 8.394 8.761 -0.367 19682 607 1 2 . 1 1 20 20 ALA N N 20 123.732 123.732 121.768 1.964 19682 608 1 2 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.381 -0.039 19682 609 1 2 . 1 1 20 20 ALA C C 20 178.034 178.034 177.673 0.361 19682 610 1 2 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.798 0.852 19682 611 1 2 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.705 -0.484 19682 612 1 2 . 1 1 20 20 ALA H H 20 8.185 8.185 7.758 0.427 19682 613 1 2 . 1 1 21 21 SER N N 21 114.750 114.750 117.864 -3.114 19682 614 1 2 . 1 1 21 21 SER HA H 21 4.419 4.419 4.315 0.104 19682 615 1 2 . 1 1 21 21 SER C C 21 174.627 174.627 175.224 -0.597 19682 616 1 2 . 1 1 21 21 SER CA C 21 58.495 58.495 59.016 -0.521 19682 617 1 2 . 1 1 21 21 SER CB C 21 63.697 63.697 63.442 0.255 19682 618 1 2 . 1 1 21 21 SER H H 21 8.319 8.319 8.437 -0.118 19682 619 1 2 . 1 1 22 22 GLN N N 22 122.092 122.092 123.524 -1.432 19682 620 1 2 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.417 -0.073 19682 621 1 2 . 1 1 22 22 GLN C C 22 175.857 175.857 175.794 0.063 19682 622 1 2 . 1 1 22 22 GLN CA C 22 55.775 55.775 54.976 0.799 19682 623 1 2 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.838 0.560 19682 624 1 2 . 1 1 22 22 GLN H H 22 8.343 8.343 8.706 -0.363 19682 625 1 2 . 1 1 23 23 LYS N N 23 122.663 122.663 122.176 0.487 19682 626 1 2 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.244 0.053 19682 627 1 2 . 1 1 23 23 LYS C C 23 176.502 176.502 176.114 0.388 19682 628 1 2 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.487 -0.172 19682 629 1 2 . 1 1 23 23 LYS CB C 23 33.048 33.048 30.660 2.388 19682 630 1 2 . 1 1 23 23 LYS H H 23 8.309 8.309 8.072 0.237 19682 631 1 2 . 1 1 24 24 LYS N N 24 123.434 123.434 121.050 2.384 19682 632 1 2 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.567 -0.241 19682 633 1 2 . 1 1 24 24 LYS C C 24 177.026 177.026 176.869 0.157 19682 634 1 2 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.776 0.583 19682 635 1 2 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.851 0.142 19682 636 1 2 . 1 1 24 24 LYS H H 24 8.469 8.469 8.097 0.372 19682 637 1 2 . 1 1 25 25 GLY N N 25 110.813 110.813 110.447 0.366 19682 638 1 2 . 1 1 25 25 GLY C C 25 174.476 174.476 174.046 0.430 19682 639 1 2 . 1 1 25 25 GLY CA C 25 45.274 45.274 45.232 0.042 19682 640 1 2 . 1 1 25 25 GLY H H 25 8.531 8.531 8.460 0.071 19682 641 1 2 . 1 1 26 26 GLY N N 26 108.690 108.690 110.513 -1.823 19682 642 1 2 . 1 1 26 26 GLY C C 26 173.851 173.851 172.782 1.069 19682 643 1 2 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.452 0.617 19682 644 1 2 . 1 1 26 26 GLY H H 26 8.279 8.279 7.606 0.673 19682 645 1 2 . 1 1 27 27 GLU N N 27 121.707 121.707 117.798 3.909 19682 646 1 2 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.084 0.500 19682 647 1 2 . 1 1 27 27 GLU C C 27 174.204 174.204 174.312 -0.108 19682 648 1 2 . 1 1 27 27 GLU CA C 27 54.440 54.440 56.286 -1.846 19682 649 1 2 . 1 1 27 27 GLU CB C 27 29.437 29.437 28.742 0.695 19682 650 1 2 . 1 1 27 27 GLU H H 27 8.321 8.321 8.415 -0.094 19682 651 1 2 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.448 -0.054 19682 652 1 2 . 1 1 28 28 PRO CA C 28 62.811 62.811 62.218 0.593 19682 653 1 2 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.751 0.407 19682 654 1 2 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.202 0.195 19682 655 1 2 . 1 1 29 29 PRO C C 29 176.462 176.462 176.646 -0.184 19682 656 1 2 . 1 1 29 29 PRO CA C 29 62.844 62.844 64.174 -1.331 19682 657 1 2 . 1 1 29 29 PRO CB C 29 31.961 31.961 31.865 0.096 19682 658 1 2 . 1 1 30 30 ALA N N 30 123.850 123.850 119.380 4.470 19682 659 1 2 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.384 -0.110 19682 660 1 2 . 1 1 30 30 ALA C C 30 177.368 177.368 176.455 0.913 19682 661 1 2 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.048 0.209 19682 662 1 2 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.992 -0.755 19682 663 1 2 . 1 1 30 30 ALA H H 30 8.290 8.290 7.781 0.509 19682 664 1 2 . 1 1 31 31 LEU N N 31 121.430 121.430 123.175 -1.745 19682 665 1 2 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.430 -0.097 19682 666 1 2 . 1 1 31 31 LEU C C 31 176.804 176.804 177.799 -0.995 19682 667 1 2 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.819 0.196 19682 668 1 2 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.682 -0.238 19682 669 1 2 . 1 1 31 31 LEU H H 31 8.139 8.139 8.399 -0.260 19682 670 1 2 . 1 1 32 32 ILE N N 32 123.070 123.070 120.925 2.145 19682 671 1 2 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.877 0.291 19682 672 1 2 . 1 1 32 32 ILE C C 32 175.887 175.887 175.621 0.266 19682 673 1 2 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.193 -0.503 19682 674 1 2 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.121 1.356 19682 675 1 2 . 1 1 32 32 ILE H H 32 8.140 8.140 8.287 -0.147 19682 676 1 2 . 1 1 33 33 VAL N N 33 124.923 124.923 122.226 2.697 19682 677 1 2 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.029 0.058 19682 678 1 2 . 1 1 33 33 VAL C C 33 175.232 175.232 175.635 -0.403 19682 679 1 2 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.460 -0.609 19682 680 1 2 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.949 -0.029 19682 681 1 2 . 1 1 33 33 VAL H H 33 8.198 8.198 7.753 0.445 19682 682 1 2 . 1 1 34 34 ASP N N 34 125.813 125.813 124.567 1.246 19682 683 1 2 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.620 0.240 19682 684 1 2 . 1 1 34 34 ASP C C 34 174.919 174.919 175.459 -0.540 19682 685 1 2 . 1 1 34 34 ASP CA C 34 51.926 51.926 53.927 -2.001 19682 686 1 2 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.851 -0.347 19682 687 1 2 . 1 1 34 34 ASP H H 34 8.336 8.336 8.510 -0.174 19682 688 1 2 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.480 -0.116 19682 689 1 2 . 1 1 35 35 PRO C C 35 177.091 177.091 176.717 0.374 19682 690 1 2 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.574 -0.060 19682 691 1 2 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.137 0.036 19682 692 1 2 . 1 1 36 36 LEU N N 36 119.977 119.977 118.381 1.596 19682 693 1 2 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.389 -0.133 19682 694 1 2 . 1 1 36 36 LEU C C 36 177.479 177.479 177.260 0.219 19682 695 1 2 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.401 0.825 19682 696 1 2 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.350 -0.715 19682 697 1 2 . 1 1 36 36 LEU H H 36 8.316 8.316 7.536 0.780 19682 698 1 2 . 1 1 37 37 MET N N 37 120.231 120.231 116.135 4.096 19682 699 1 2 . 1 1 37 37 MET HA H 37 4.326 4.326 3.916 0.410 19682 700 1 2 . 1 1 37 37 MET C C 37 175.171 175.171 174.039 1.132 19682 701 1 2 . 1 1 37 37 MET CA C 37 55.160 55.160 55.850 -0.690 19682 702 1 2 . 1 1 37 37 MET CB C 37 32.514 32.514 30.411 2.103 19682 703 1 2 . 1 1 37 37 MET H H 37 7.893 7.893 7.617 0.276 19682 704 1 2 . 1 1 38 38 LYS N N 38 122.361 122.361 119.931 2.430 19682 705 1 2 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.038 0.122 19682 706 1 2 . 1 1 38 38 LYS C C 38 175.837 175.837 176.582 -0.745 19682 707 1 2 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.165 0.940 19682 708 1 2 . 1 1 38 38 LYS CB C 38 33.214 33.214 32.163 1.051 19682 709 1 2 . 1 1 38 38 LYS H H 38 7.929 7.929 7.863 0.066 19682 710 1 2 . 1 1 39 39 TYR N N 39 120.347 120.347 124.591 -4.244 19682 711 1 2 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.465 0.105 19682 712 1 2 . 1 1 39 39 TYR C C 39 174.325 174.325 175.800 -1.475 19682 713 1 2 . 1 1 39 39 TYR CA C 39 57.424 57.424 57.468 -0.044 19682 714 1 2 . 1 1 39 39 TYR CB C 39 38.609 38.609 36.573 2.036 19682 715 1 2 . 1 1 39 39 TYR H H 39 8.020 8.020 8.561 -0.541 19682 716 1 2 . 1 1 40 40 ILE N N 40 119.688 119.688 123.726 -4.038 19682 717 1 2 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.356 -0.381 19682 718 1 2 . 1 1 40 40 ILE C C 40 175.181 175.181 174.676 0.505 19682 719 1 2 . 1 1 40 40 ILE CA C 40 58.580 58.580 59.422 -0.842 19682 720 1 2 . 1 1 40 40 ILE CB C 40 39.694 39.694 40.246 -0.552 19682 721 1 2 . 1 1 40 40 ILE H H 40 8.000 8.000 7.947 0.053 19682 722 1 2 . 1 1 41 41 CYS N N 41 129.049 129.049 128.182 0.867 19682 723 1 2 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.164 -0.192 19682 724 1 2 . 1 1 41 41 CYS C C 41 177.197 177.197 176.228 0.969 19682 725 1 2 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.849 0.208 19682 726 1 2 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.123 5.251 19682 727 1 2 . 1 1 41 41 CYS H H 41 7.990 7.990 8.553 -0.563 19682 728 1 2 . 1 1 42 42 HIS N N 42 127.633 127.633 128.945 -1.312 19682 729 1 2 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.245 -0.114 19682 730 1 2 . 1 1 42 42 HIS C C 42 174.385 174.385 175.439 -1.054 19682 731 1 2 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.379 -0.388 19682 732 1 2 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.574 -0.874 19682 733 1 2 . 1 1 42 42 HIS H H 42 8.933 8.933 8.647 0.286 19682 734 1 2 . 1 1 43 43 ILE N N 43 119.482 119.482 116.706 2.776 19682 735 1 2 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.124 0.041 19682 736 1 2 . 1 1 43 43 ILE C C 43 176.673 176.673 176.430 0.243 19682 737 1 2 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.488 -0.366 19682 738 1 2 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.217 -0.883 19682 739 1 2 . 1 1 43 43 ILE H H 43 8.944 8.944 7.599 1.345 19682 740 1 2 . 1 1 44 44 CYS N N 44 117.996 117.996 117.391 0.605 19682 741 1 2 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.621 0.263 19682 742 1 2 . 1 1 44 44 CYS C C 44 176.008 176.008 175.303 0.705 19682 743 1 2 . 1 1 44 44 CYS CA C 44 59.001 59.001 58.949 0.052 19682 744 1 2 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.044 3.011 19682 745 1 2 . 1 1 44 44 CYS H H 44 8.221 8.221 7.926 0.295 19682 746 1 2 . 1 1 45 45 ASN N N 45 117.410 117.410 117.226 0.184 19682 747 1 2 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.312 0.075 19682 748 1 2 . 1 1 45 45 ASN C C 45 173.893 173.893 173.638 0.255 19682 749 1 2 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.841 0.173 19682 750 1 2 . 1 1 45 45 ASN CB C 45 37.854 37.854 38.164 -0.311 19682 751 1 2 . 1 1 45 45 ASN H H 45 8.040 8.040 8.644 -0.604 19682 752 1 2 . 1 1 46 46 ARG N N 46 117.127 117.127 116.611 0.516 19682 753 1 2 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.677 0.043 19682 754 1 2 . 1 1 46 46 ARG C C 46 176.865 176.865 175.632 1.233 19682 755 1 2 . 1 1 46 46 ARG CA C 46 55.427 55.427 53.666 1.761 19682 756 1 2 . 1 1 46 46 ARG CB C 46 34.152 34.152 31.748 2.404 19682 757 1 2 . 1 1 46 46 ARG H H 46 8.201 8.201 7.697 0.504 19682 758 1 2 . 1 1 47 47 GLY N N 47 109.334 109.334 108.200 1.134 19682 759 1 2 . 1 1 47 47 GLY C C 47 173.670 173.670 173.814 -0.144 19682 760 1 2 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.265 0.752 19682 761 1 2 . 1 1 47 47 GLY H H 47 8.902 8.902 8.526 0.376 19682 762 1 2 . 1 1 48 48 ASP N N 48 117.908 117.908 120.268 -2.360 19682 763 1 2 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.502 0.198 19682 764 1 2 . 1 1 48 48 ASP C C 48 173.871 173.871 176.296 -2.425 19682 765 1 2 . 1 1 48 48 ASP CA C 48 52.409 52.409 55.914 -3.505 19682 766 1 2 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.299 -0.440 19682 767 1 2 . 1 1 48 48 ASP H H 48 8.046 8.046 8.240 -0.194 19682 768 1 2 . 1 1 49 49 VAL N N 49 117.921 117.921 119.787 -1.866 19682 769 1 2 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.298 -0.595 19682 770 1 2 . 1 1 49 49 VAL C C 49 177.096 177.096 176.013 1.083 19682 771 1 2 . 1 1 49 49 VAL CA C 49 62.491 62.491 61.456 1.035 19682 772 1 2 . 1 1 49 49 VAL CB C 49 29.423 29.423 32.093 -2.670 19682 773 1 2 . 1 1 49 49 VAL H H 49 8.772 8.772 8.080 0.692 19682 774 1 2 . 1 1 50 50 GLU N N 50 120.434 120.434 127.173 -6.739 19682 775 1 2 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.163 -0.331 19682 776 1 2 . 1 1 50 50 GLU C C 50 178.779 178.779 177.598 1.181 19682 777 1 2 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.010 0.910 19682 778 1 2 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.598 -0.461 19682 779 1 2 . 1 1 50 50 GLU H H 50 9.047 9.047 8.983 0.064 19682 780 1 2 . 1 1 51 51 GLU N N 51 119.158 119.158 120.398 -1.240 19682 781 1 2 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.126 0.181 19682 782 1 2 . 1 1 51 51 GLU C C 51 177.358 177.358 177.121 0.237 19682 783 1 2 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.659 -0.403 19682 784 1 2 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.373 -1.148 19682 785 1 2 . 1 1 51 51 GLU H H 51 9.822 9.822 8.760 1.062 19682 786 1 2 . 1 1 52 52 SER N N 52 116.430 116.430 112.326 4.104 19682 787 1 2 . 1 1 52 52 SER HA H 52 4.716 4.716 4.676 0.040 19682 788 1 2 . 1 1 52 52 SER C C 52 172.309 172.309 173.004 -0.695 19682 789 1 2 . 1 1 52 52 SER CA C 52 57.745 57.745 58.326 -0.581 19682 790 1 2 . 1 1 52 52 SER CB C 52 64.494 64.494 63.546 0.948 19682 791 1 2 . 1 1 52 52 SER H H 52 8.291 8.291 8.306 -0.015 19682 792 1 2 . 1 1 53 53 MET N N 53 121.812 121.812 122.782 -0.970 19682 793 1 2 . 1 1 53 53 MET HA H 53 4.577 4.577 4.951 -0.374 19682 794 1 2 . 1 1 53 53 MET C C 53 174.385 174.385 175.268 -0.883 19682 795 1 2 . 1 1 53 53 MET CA C 53 54.784 54.784 55.173 -0.389 19682 796 1 2 . 1 1 53 53 MET CB C 53 33.410 33.410 33.874 -0.464 19682 797 1 2 . 1 1 53 53 MET H H 53 7.648 7.648 7.233 0.415 19682 798 1 2 . 1 1 54 54 LEU N N 54 128.167 128.167 127.040 1.127 19682 799 1 2 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.391 -0.143 19682 800 1 2 . 1 1 54 54 LEU C C 54 175.111 175.111 175.109 0.002 19682 801 1 2 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.782 -0.159 19682 802 1 2 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.783 0.976 19682 803 1 2 . 1 1 54 54 LEU H H 54 9.007 9.007 8.684 0.323 19682 804 1 2 . 1 1 55 55 LEU N N 55 122.173 122.173 121.334 0.839 19682 805 1 2 . 1 1 55 55 LEU HA H 55 4.805 4.805 5.095 -0.290 19682 806 1 2 . 1 1 55 55 LEU C C 55 176.260 176.260 176.734 -0.474 19682 807 1 2 . 1 1 55 55 LEU CA C 55 53.247 53.247 52.974 0.273 19682 808 1 2 . 1 1 55 55 LEU CB C 55 43.273 43.273 44.244 -0.971 19682 809 1 2 . 1 1 55 55 LEU H H 55 8.139 8.139 8.416 -0.277 19682 810 1 2 . 1 1 56 56 CYS N N 56 126.541 126.541 127.508 -0.967 19682 811 1 2 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.630 0.096 19682 812 1 2 . 1 1 56 56 CYS C C 56 177.671 177.671 174.659 3.012 19682 813 1 2 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.128 2.092 19682 814 1 2 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.180 4.902 19682 815 1 2 . 1 1 56 56 CYS H H 56 8.996 8.996 9.013 -0.017 19682 816 1 2 . 1 1 57 57 ASP N N 57 130.338 130.338 128.681 1.657 19682 817 1 2 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.367 0.300 19682 818 1 2 . 1 1 57 57 ASP C C 57 176.159 176.159 176.159 0.000 19682 819 1 2 . 1 1 57 57 ASP CA C 57 57.457 57.457 55.524 1.933 19682 820 1 2 . 1 1 57 57 ASP CB C 57 42.201 42.201 40.090 2.111 19682 821 1 2 . 1 1 57 57 ASP H H 57 9.373 9.373 8.491 0.882 19682 822 1 2 . 1 1 58 58 GLY N N 58 114.137 114.137 111.332 2.805 19682 823 1 2 . 1 1 58 58 GLY C C 58 174.801 174.801 174.680 0.121 19682 824 1 2 . 1 1 58 58 GLY CA C 58 45.982 45.982 45.224 0.758 19682 825 1 2 . 1 1 58 58 GLY H H 58 10.023 10.023 8.472 1.551 19682 826 1 2 . 1 1 59 59 CYS N N 59 120.775 120.775 118.620 2.155 19682 827 1 2 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.856 0.035 19682 828 1 2 . 1 1 59 59 CYS C C 59 175.564 175.564 174.338 1.226 19682 829 1 2 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.335 1.406 19682 830 1 2 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.867 3.212 19682 831 1 2 . 1 1 59 59 CYS H H 59 8.132 8.132 7.702 0.430 19682 832 1 2 . 1 1 60 60 ASP N N 60 119.232 119.232 122.105 -2.873 19682 833 1 2 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.414 0.275 19682 834 1 2 . 1 1 60 60 ASP C C 60 174.738 174.738 174.137 0.601 19682 835 1 2 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.496 0.969 19682 836 1 2 . 1 1 60 60 ASP CB C 60 41.041 41.041 39.987 1.054 19682 837 1 2 . 1 1 60 60 ASP H H 60 8.085 8.085 8.522 -0.437 19682 838 1 2 . 1 1 61 61 ASP N N 61 121.704 121.704 120.274 1.430 19682 839 1 2 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.789 0.060 19682 840 1 2 . 1 1 61 61 ASP C C 61 175.454 175.454 175.418 0.036 19682 841 1 2 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.513 1.980 19682 842 1 2 . 1 1 61 61 ASP CB C 61 42.194 42.194 44.099 -1.905 19682 843 1 2 . 1 1 61 61 ASP H H 61 8.703 8.703 8.419 0.284 19682 844 1 2 . 1 1 62 62 SER N N 62 113.381 113.381 119.487 -6.106 19682 845 1 2 . 1 1 62 62 SER HA H 62 5.703 5.703 5.372 0.331 19682 846 1 2 . 1 1 62 62 SER C C 62 173.821 173.821 173.294 0.527 19682 847 1 2 . 1 1 62 62 SER CA C 62 56.165 56.165 58.095 -1.930 19682 848 1 2 . 1 1 62 62 SER CB C 62 65.275 65.275 64.083 1.192 19682 849 1 2 . 1 1 62 62 SER H H 62 8.313 8.313 8.695 -0.382 19682 850 1 2 . 1 1 63 63 TYR N N 63 120.467 120.467 123.197 -2.730 19682 851 1 2 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.629 0.722 19682 852 1 2 . 1 1 63 63 TYR C C 63 175.393 175.393 174.467 0.926 19682 853 1 2 . 1 1 63 63 TYR CA C 63 56.687 56.687 57.086 -0.399 19682 854 1 2 . 1 1 63 63 TYR CB C 63 44.326 44.326 43.244 1.082 19682 855 1 2 . 1 1 63 63 TYR H H 63 8.815 8.815 8.725 0.090 19682 856 1 2 . 1 1 64 64 HIS N N 64 121.957 121.957 119.062 2.895 19682 857 1 2 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.138 -0.288 19682 858 1 2 . 1 1 64 64 HIS C C 64 178.559 178.559 177.071 1.488 19682 859 1 2 . 1 1 64 64 HIS CA C 64 57.490 57.490 54.454 3.036 19682 860 1 2 . 1 1 64 64 HIS CB C 64 31.036 31.036 31.632 -0.596 19682 861 1 2 . 1 1 64 64 HIS H H 64 9.276 9.276 8.269 1.007 19682 862 1 2 . 1 1 65 65 THR N N 65 113.100 113.100 115.950 -2.850 19682 863 1 2 . 1 1 65 65 THR HA H 65 3.603 3.603 3.844 -0.241 19682 864 1 2 . 1 1 65 65 THR C C 65 176.824 176.824 176.236 0.588 19682 865 1 2 . 1 1 65 65 THR CA C 65 64.805 64.805 66.607 -1.802 19682 866 1 2 . 1 1 65 65 THR CB C 65 66.441 66.441 68.970 -2.529 19682 867 1 2 . 1 1 65 65 THR H H 65 8.832 8.832 7.928 0.904 19682 868 1 2 . 1 1 66 66 PHE N N 66 111.288 111.288 117.642 -6.354 19682 869 1 2 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.587 0.138 19682 870 1 2 . 1 1 66 66 PHE C C 66 176.846 176.846 176.656 0.190 19682 871 1 2 . 1 1 66 66 PHE CA C 66 56.215 56.215 59.451 -3.236 19682 872 1 2 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.701 -0.271 19682 873 1 2 . 1 1 66 66 PHE H H 66 6.541 6.541 7.985 -1.444 19682 874 1 2 . 1 1 67 67 CYS N N 67 123.228 123.228 118.532 4.696 19682 875 1 2 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.385 0.108 19682 876 1 2 . 1 1 67 67 CYS C C 67 174.627 174.627 175.820 -1.193 19682 877 1 2 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.496 1.640 19682 878 1 2 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.630 3.973 19682 879 1 2 . 1 1 67 67 CYS H H 67 7.384 7.384 7.544 -0.160 19682 880 1 2 . 1 1 68 68 LEU N N 68 119.645 119.645 120.134 -0.489 19682 881 1 2 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.253 -0.126 19682 882 1 2 . 1 1 68 68 LEU C C 68 174.738 174.738 175.759 -1.021 19682 883 1 2 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.627 -0.616 19682 884 1 2 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.754 1.369 19682 885 1 2 . 1 1 68 68 LEU H H 68 6.514 6.514 7.488 -0.974 19682 886 1 2 . 1 1 69 69 LEU N N 69 119.803 119.803 123.042 -3.239 19682 887 1 2 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.765 -0.082 19682 888 1 2 . 1 1 69 69 LEU C C 69 174.879 174.879 175.471 -0.592 19682 889 1 2 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.897 -1.680 19682 890 1 2 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.636 1.699 19682 891 1 2 . 1 1 69 69 LEU H H 69 8.050 8.050 8.050 -0.000 19682 892 1 2 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.803 0.231 19682 893 1 2 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.161 0.884 19682 894 1 2 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.637 1.396 19682 895 1 2 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.659 -0.211 19682 896 1 2 . 1 1 71 71 PRO C C 71 177.632 177.632 176.564 1.068 19682 897 1 2 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.588 0.400 19682 898 1 2 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.676 -0.547 19682 899 1 2 . 1 1 72 72 LEU N N 72 121.033 121.033 124.793 -3.760 19682 900 1 2 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.498 0.148 19682 901 1 2 . 1 1 72 72 LEU C C 72 177.983 177.983 177.116 0.867 19682 902 1 2 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.200 -0.163 19682 903 1 2 . 1 1 72 72 LEU CB C 72 43.384 43.384 42.342 1.042 19682 904 1 2 . 1 1 72 72 LEU H H 72 7.660 7.660 8.084 -0.424 19682 905 1 2 . 1 1 73 73 THR N N 73 112.645 112.645 116.311 -3.666 19682 906 1 2 . 1 1 73 73 THR HA H 73 4.289 4.289 4.239 0.050 19682 907 1 2 . 1 1 73 73 THR C C 73 174.305 174.305 174.084 0.221 19682 908 1 2 . 1 1 73 73 THR CA C 73 62.324 62.324 63.574 -1.250 19682 909 1 2 . 1 1 73 73 THR CB C 73 69.019 69.019 69.258 -0.239 19682 910 1 2 . 1 1 73 73 THR H H 73 8.694 8.694 8.328 0.366 19682 911 1 2 . 1 1 74 74 SER N N 74 114.234 114.234 114.056 0.178 19682 912 1 2 . 1 1 74 74 SER HA H 74 4.584 4.584 4.556 0.028 19682 913 1 2 . 1 1 74 74 SER C C 74 172.833 172.833 173.046 -0.213 19682 914 1 2 . 1 1 74 74 SER CA C 74 56.827 56.827 57.170 -0.343 19682 915 1 2 . 1 1 74 74 SER CB C 74 64.678 64.678 65.682 -1.004 19682 916 1 2 . 1 1 74 74 SER H H 74 7.503 7.503 7.469 0.034 19682 917 1 2 . 1 1 75 75 ILE N N 75 123.720 123.720 121.735 1.985 19682 918 1 2 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.234 -0.155 19682 919 1 2 . 1 1 75 75 ILE C C 75 174.819 174.819 175.798 -0.979 19682 920 1 2 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.559 -0.951 19682 921 1 2 . 1 1 75 75 ILE CB C 75 37.788 37.788 38.112 -0.324 19682 922 1 2 . 1 1 75 75 ILE H H 75 8.498 8.498 8.321 0.177 19682 923 1 2 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.611 -0.203 19682 924 1 2 . 1 1 76 76 PRO C C 76 176.339 176.339 176.837 -0.498 19682 925 1 2 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.343 0.661 19682 926 1 2 . 1 1 76 76 PRO CB C 76 32.136 32.136 29.884 2.252 19682 927 1 2 . 1 1 77 77 LYS N N 77 121.662 121.662 119.755 1.907 19682 928 1 2 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.903 0.432 19682 929 1 2 . 1 1 77 77 LYS C C 77 177.278 177.278 176.501 0.777 19682 930 1 2 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.925 -1.627 19682 931 1 2 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.717 1.060 19682 932 1 2 . 1 1 77 77 LYS H H 77 8.516 8.516 8.413 0.103 19682 933 1 2 . 1 1 78 78 GLY N N 78 110.250 110.250 104.938 5.312 19682 934 1 2 . 1 1 78 78 GLY C C 78 172.995 172.995 173.668 -0.673 19682 935 1 2 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.828 -0.282 19682 936 1 2 . 1 1 78 78 GLY H H 78 8.150 8.150 7.421 0.729 19682 937 1 2 . 1 1 79 79 GLU N N 79 121.820 121.820 122.666 -0.846 19682 938 1 2 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.337 0.032 19682 939 1 2 . 1 1 79 79 GLU C C 79 175.847 175.847 175.505 0.342 19682 940 1 2 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.010 0.967 19682 941 1 2 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.025 1.613 19682 942 1 2 . 1 1 79 79 GLU H H 79 8.342 8.342 8.145 0.197 19682 943 1 2 . 1 1 80 80 TRP N N 80 126.690 126.690 126.556 0.134 19682 944 1 2 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.790 -0.276 19682 945 1 2 . 1 1 80 80 TRP C C 80 172.733 172.733 173.404 -0.671 19682 946 1 2 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.877 2.691 19682 947 1 2 . 1 1 80 80 TRP CB C 80 30.409 30.409 32.636 -2.227 19682 948 1 2 . 1 1 80 80 TRP H H 80 9.370 9.370 7.912 1.458 19682 949 1 2 . 1 1 81 81 LEU N N 81 125.572 125.572 124.792 0.780 19682 950 1 2 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.229 0.792 19682 951 1 2 . 1 1 81 81 LEU C C 81 174.617 174.617 175.421 -0.804 19682 952 1 2 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.550 -1.116 19682 953 1 2 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.819 1.041 19682 954 1 2 . 1 1 81 81 LEU H H 81 6.540 6.540 7.760 -1.220 19682 955 1 2 . 1 1 82 82 CYS N N 82 125.868 125.868 120.705 5.163 19682 956 1 2 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.831 -0.302 19682 957 1 2 . 1 1 82 82 CYS C C 82 172.652 172.652 175.128 -2.476 19682 958 1 2 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.151 1.411 19682 959 1 2 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.511 3.034 19682 960 1 2 . 1 1 82 82 CYS H H 82 9.086 9.086 7.920 1.166 19682 961 1 2 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.077 -0.009 19682 962 1 2 . 1 1 83 83 PRO C C 83 178.541 178.541 178.238 0.303 19682 963 1 2 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.610 -0.343 19682 964 1 2 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.681 0.528 19682 965 1 2 . 1 1 84 84 ARG N N 84 117.140 117.140 115.666 1.474 19682 966 1 2 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.159 0.038 19682 967 1 2 . 1 1 84 84 ARG C C 84 177.983 177.983 177.244 0.739 19682 968 1 2 . 1 1 84 84 ARG CA C 84 58.537 58.537 57.895 0.642 19682 969 1 2 . 1 1 84 84 ARG CB C 84 30.815 30.815 28.876 1.939 19682 970 1 2 . 1 1 84 84 ARG H H 84 8.041 8.041 8.496 -0.455 19682 971 1 2 . 1 1 85 85 CYS N N 85 123.417 123.417 116.258 7.159 19682 972 1 2 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.458 -0.555 19682 973 1 2 . 1 1 85 85 CYS C C 85 177.298 177.298 176.748 0.550 19682 974 1 2 . 1 1 85 85 CYS CA C 85 64.168 64.168 59.996 4.172 19682 975 1 2 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.897 3.141 19682 976 1 2 . 1 1 85 85 CYS H H 85 8.210 8.210 7.631 0.579 19682 977 1 2 . 1 1 86 86 VAL N N 86 118.037 118.037 120.466 -2.429 19682 978 1 2 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.674 -0.034 19682 979 1 2 . 1 1 86 86 VAL C C 86 176.623 176.623 177.564 -0.941 19682 980 1 2 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.380 -0.872 19682 981 1 2 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.870 -0.068 19682 982 1 2 . 1 1 86 86 VAL H H 86 7.951 7.951 7.557 0.394 19682 983 1 2 . 1 1 87 87 VAL N N 87 119.227 119.227 115.284 3.943 19682 984 1 2 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.897 0.079 19682 985 1 2 . 1 1 87 87 VAL C C 87 176.774 176.774 175.540 1.234 19682 986 1 2 . 1 1 87 87 VAL CA C 87 63.182 63.182 63.250 -0.068 19682 987 1 2 . 1 1 87 87 VAL CB C 87 32.210 32.210 32.195 0.015 19682 988 1 2 . 1 1 87 87 VAL H H 87 7.255 7.255 7.541 -0.286 19682 989 1 2 . 1 1 88 88 GLU N N 88 122.469 122.469 118.567 3.902 19682 990 1 2 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.097 0.102 19682 991 1 2 . 1 1 88 88 GLU C C 88 176.623 176.623 175.245 1.378 19682 992 1 2 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.354 0.596 19682 993 1 2 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.102 -0.012 19682 994 1 2 . 1 1 88 88 GLU H H 88 7.986 7.986 7.991 -0.005 19682 995 1 2 . 1 1 89 89 GLU N N 89 121.343 121.343 123.204 -1.861 19682 996 1 2 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.233 -0.044 19682 997 1 2 . 1 1 89 89 GLU C C 89 176.744 176.744 176.826 -0.082 19682 998 1 2 . 1 1 89 89 GLU CA C 89 56.956 56.956 57.177 -0.221 19682 999 1 2 . 1 1 89 89 GLU CB C 89 29.912 29.912 30.112 -0.200 19682 1000 1 2 . 1 1 89 89 GLU H H 89 8.168 8.168 8.454 -0.286 19682 1001 1 2 . 1 1 90 90 VAL N N 90 120.127 120.127 120.599 -0.472 19682 1002 1 2 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.124 -0.040 19682 1003 1 2 . 1 1 90 90 VAL C C 90 176.290 176.290 176.990 -0.700 19682 1004 1 2 . 1 1 90 90 VAL CA C 90 62.592 62.592 63.246 -0.654 19682 1005 1 2 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.862 0.665 19682 1006 1 2 . 1 1 90 90 VAL H H 90 8.027 8.027 8.081 -0.054 19682 1007 1 2 . 1 1 91 91 SER N N 91 118.678 118.678 123.912 -5.234 19682 1008 1 2 . 1 1 91 91 SER HA H 91 4.439 4.439 4.384 0.055 19682 1009 1 2 . 1 1 91 91 SER C C 91 173.932 173.932 174.480 -0.548 19682 1010 1 2 . 1 1 91 91 SER CA C 91 58.189 58.189 57.612 0.577 19682 1011 1 2 . 1 1 91 91 SER CB C 91 63.706 63.706 61.890 1.816 19682 1012 1 2 . 1 1 91 91 SER H H 91 8.222 8.222 8.682 -0.460 19682 1013 1 2 . 1 1 92 92 LYS N N 92 124.547 124.547 122.168 2.379 19682 1014 1 2 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.104 0.503 19682 1015 1 2 . 1 1 92 92 LYS C C 92 174.395 174.395 174.574 -0.179 19682 1016 1 2 . 1 1 92 92 LYS CA C 92 54.272 54.272 56.321 -2.049 19682 1017 1 2 . 1 1 92 92 LYS CB C 92 32.646 32.646 31.835 0.811 19682 1018 1 2 . 1 1 92 92 LYS H H 92 8.165 8.165 7.824 0.341 19682 1019 1 2 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.457 -0.038 19682 1020 1 2 . 1 1 93 93 PRO C C 93 176.194 176.194 177.069 -0.875 19682 1021 1 2 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.809 0.609 19682 1022 1 2 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.462 -0.566 19682 1023 1 3 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.620 0.130 19682 1024 1 3 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.346 -0.054 19682 1025 1 3 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.089 0.469 19682 1026 1 3 . 1 1 2 2 HIS H H 2 8.134 8.134 8.451 -0.317 19682 1027 1 3 . 1 1 3 3 MET N N 3 123.164 123.164 127.018 -3.854 19682 1028 1 3 . 1 1 3 3 MET HA H 3 4.494 4.494 4.616 -0.122 19682 1029 1 3 . 1 1 3 3 MET C C 3 176.078 176.078 175.596 0.482 19682 1030 1 3 . 1 1 3 3 MET CA C 3 55.504 55.504 54.546 0.958 19682 1031 1 3 . 1 1 3 3 MET CB C 3 32.860 32.860 33.883 -1.023 19682 1032 1 3 . 1 1 3 3 MET H H 3 8.419 8.419 8.172 0.247 19682 1033 1 3 . 1 1 4 4 SER N N 4 117.403 117.403 123.471 -6.068 19682 1034 1 3 . 1 1 4 4 SER HA H 4 4.439 4.439 4.459 -0.020 19682 1035 1 3 . 1 1 4 4 SER C C 4 175.011 175.011 174.462 0.549 19682 1036 1 3 . 1 1 4 4 SER CA C 4 58.516 58.516 58.069 0.447 19682 1037 1 3 . 1 1 4 4 SER CB C 4 63.773 63.773 61.979 1.794 19682 1038 1 3 . 1 1 4 4 SER H H 4 8.416 8.416 8.868 -0.452 19682 1039 1 3 . 1 1 5 5 GLY N N 5 111.174 111.174 110.389 0.785 19682 1040 1 3 . 1 1 5 5 GLY C C 5 174.567 174.567 173.955 0.612 19682 1041 1 3 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.761 0.423 19682 1042 1 3 . 1 1 5 5 GLY H H 5 8.475 8.475 7.520 0.955 19682 1043 1 3 . 1 1 6 6 GLY N N 6 108.594 108.594 109.162 -0.568 19682 1044 1 3 . 1 1 6 6 GLY C C 6 173.781 173.781 174.574 -0.793 19682 1045 1 3 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.656 0.327 19682 1046 1 3 . 1 1 6 6 GLY H H 6 8.274 8.274 8.406 -0.132 19682 1047 1 3 . 1 1 7 7 SER N N 7 116.558 116.558 117.018 -0.460 19682 1048 1 3 . 1 1 7 7 SER C C 7 172.995 172.995 172.396 0.599 19682 1049 1 3 . 1 1 7 7 SER CA C 7 56.387 56.387 56.497 -0.110 19682 1050 1 3 . 1 1 7 7 SER CB C 7 63.508 63.508 64.033 -0.525 19682 1051 1 3 . 1 1 7 7 SER H H 7 8.220 8.220 8.352 -0.132 19682 1052 1 3 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.444 0.010 19682 1053 1 3 . 1 1 8 8 PRO C C 8 176.864 176.864 176.914 -0.050 19682 1054 1 3 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.799 0.550 19682 1055 1 3 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.285 -0.276 19682 1056 1 3 . 1 1 9 9 LEU N N 9 121.497 121.497 126.685 -5.188 19682 1057 1 3 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.343 -0.039 19682 1058 1 3 . 1 1 9 9 LEU C C 9 177.237 177.237 176.502 0.735 19682 1059 1 3 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.293 0.730 19682 1060 1 3 . 1 1 9 9 LEU CB C 9 42.353 42.353 40.061 2.292 19682 1061 1 3 . 1 1 9 9 LEU H H 9 8.196 8.196 8.497 -0.301 19682 1062 1 3 . 1 1 10 10 ALA N N 10 124.964 124.964 125.935 -0.971 19682 1063 1 3 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.289 0.113 19682 1064 1 3 . 1 1 10 10 ALA C C 10 177.812 177.812 177.344 0.468 19682 1065 1 3 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.746 -0.338 19682 1066 1 3 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.708 0.530 19682 1067 1 3 . 1 1 10 10 ALA H H 10 8.242 8.242 7.834 0.408 19682 1068 1 3 . 1 1 11 11 THR N N 11 112.852 112.852 116.364 -3.512 19682 1069 1 3 . 1 1 11 11 THR HA H 11 4.341 4.341 4.506 -0.165 19682 1070 1 3 . 1 1 11 11 THR C C 11 175.181 175.181 174.907 0.274 19682 1071 1 3 . 1 1 11 11 THR CA C 11 61.870 61.870 61.599 0.271 19682 1072 1 3 . 1 1 11 11 THR CB C 11 69.622 69.622 70.442 -0.819 19682 1073 1 3 . 1 1 11 11 THR H H 11 8.081 8.081 7.943 0.138 19682 1074 1 3 . 1 1 12 12 GLY N N 12 110.929 110.929 113.725 -2.796 19682 1075 1 3 . 1 1 12 12 GLY C C 12 174.395 174.395 174.028 0.367 19682 1076 1 3 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.937 -0.561 19682 1077 1 3 . 1 1 12 12 GLY H H 12 8.408 8.408 8.304 0.104 19682 1078 1 3 . 1 1 13 13 THR N N 13 113.482 113.482 117.060 -3.578 19682 1079 1 3 . 1 1 13 13 THR HA H 13 4.445 4.445 4.286 0.159 19682 1080 1 3 . 1 1 13 13 THR C C 13 174.889 174.889 174.664 0.225 19682 1081 1 3 . 1 1 13 13 THR CA C 13 61.816 61.816 61.843 -0.027 19682 1082 1 3 . 1 1 13 13 THR CB C 13 69.812 69.812 68.008 1.804 19682 1083 1 3 . 1 1 13 13 THR H H 13 8.130 8.130 8.035 0.095 19682 1084 1 3 . 1 1 14 14 THR N N 14 116.080 116.080 117.303 -1.223 19682 1085 1 3 . 1 1 14 14 THR HA H 14 4.370 4.370 4.600 -0.230 19682 1086 1 3 . 1 1 14 14 THR C C 14 174.385 174.385 174.020 0.365 19682 1087 1 3 . 1 1 14 14 THR CA C 14 61.788 61.788 60.944 0.844 19682 1088 1 3 . 1 1 14 14 THR CB C 14 69.696 69.696 70.543 -0.847 19682 1089 1 3 . 1 1 14 14 THR H H 14 8.199 8.199 7.739 0.460 19682 1090 1 3 . 1 1 15 15 ALA N N 15 126.054 126.054 127.770 -1.716 19682 1091 1 3 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.519 -0.218 19682 1092 1 3 . 1 1 15 15 ALA C C 15 177.469 177.469 176.837 0.632 19682 1093 1 3 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.898 0.948 19682 1094 1 3 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.104 0.080 19682 1095 1 3 . 1 1 15 15 ALA H H 15 8.349 8.349 8.472 -0.123 19682 1096 1 3 . 1 1 16 16 ASN N N 16 117.718 117.718 121.106 -3.388 19682 1097 1 3 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.732 0.012 19682 1098 1 3 . 1 1 16 16 ASN C C 16 175.575 175.575 175.062 0.513 19682 1099 1 3 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.431 -0.234 19682 1100 1 3 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.062 -0.330 19682 1101 1 3 . 1 1 16 16 ASN H H 16 8.403 8.403 8.267 0.136 19682 1102 1 3 . 1 1 17 17 THR N N 17 114.153 114.153 112.947 1.206 19682 1103 1 3 . 1 1 17 17 THR HA H 17 4.312 4.312 4.462 -0.150 19682 1104 1 3 . 1 1 17 17 THR C C 17 174.799 174.799 174.680 0.119 19682 1105 1 3 . 1 1 17 17 THR CA C 17 61.973 61.973 61.858 0.115 19682 1106 1 3 . 1 1 17 17 THR CB C 17 69.624 69.624 69.380 0.244 19682 1107 1 3 . 1 1 17 17 THR H H 17 8.081 8.081 8.301 -0.220 19682 1108 1 3 . 1 1 18 18 ARG N N 18 122.990 122.990 125.960 -2.970 19682 1109 1 3 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.489 -0.164 19682 1110 1 3 . 1 1 18 18 ARG C C 18 176.875 176.875 177.539 -0.664 19682 1111 1 3 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.953 0.598 19682 1112 1 3 . 1 1 18 18 ARG CB C 18 30.587 30.587 30.744 -0.157 19682 1113 1 3 . 1 1 18 18 ARG H H 18 8.351 8.351 8.924 -0.573 19682 1114 1 3 . 1 1 19 19 GLY N N 19 109.993 109.993 109.772 0.221 19682 1115 1 3 . 1 1 19 19 GLY C C 19 174.002 174.002 173.415 0.587 19682 1116 1 3 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.416 0.898 19682 1117 1 3 . 1 1 19 19 GLY H H 19 8.394 8.394 8.305 0.089 19682 1118 1 3 . 1 1 20 20 ALA N N 20 123.732 123.732 125.513 -1.781 19682 1119 1 3 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.453 -0.111 19682 1120 1 3 . 1 1 20 20 ALA C C 20 178.034 178.034 176.702 1.332 19682 1121 1 3 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.085 0.565 19682 1122 1 3 . 1 1 20 20 ALA CB C 20 19.221 19.221 18.373 0.848 19682 1123 1 3 . 1 1 20 20 ALA H H 20 8.185 8.185 7.672 0.513 19682 1124 1 3 . 1 1 21 21 SER N N 21 114.750 114.750 118.249 -3.499 19682 1125 1 3 . 1 1 21 21 SER HA H 21 4.419 4.419 4.593 -0.174 19682 1126 1 3 . 1 1 21 21 SER C C 21 174.627 174.627 173.145 1.482 19682 1127 1 3 . 1 1 21 21 SER CA C 21 58.495 58.495 58.654 -0.159 19682 1128 1 3 . 1 1 21 21 SER CB C 21 63.697 63.697 64.051 -0.354 19682 1129 1 3 . 1 1 21 21 SER H H 21 8.319 8.319 8.098 0.221 19682 1130 1 3 . 1 1 22 22 GLN N N 22 122.092 122.092 124.257 -2.165 19682 1131 1 3 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.507 -0.163 19682 1132 1 3 . 1 1 22 22 GLN C C 22 175.857 175.857 174.542 1.315 19682 1133 1 3 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.053 -0.278 19682 1134 1 3 . 1 1 22 22 GLN CB C 22 29.398 29.398 29.897 -0.499 19682 1135 1 3 . 1 1 22 22 GLN H H 22 8.343 8.343 8.209 0.134 19682 1136 1 3 . 1 1 23 23 LYS N N 23 122.663 122.663 123.331 -0.668 19682 1137 1 3 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.629 -0.332 19682 1138 1 3 . 1 1 23 23 LYS C C 23 176.502 176.502 175.891 0.611 19682 1139 1 3 . 1 1 23 23 LYS CA C 23 56.315 56.315 55.861 0.453 19682 1140 1 3 . 1 1 23 23 LYS CB C 23 33.048 33.048 33.468 -0.420 19682 1141 1 3 . 1 1 23 23 LYS H H 23 8.309 8.309 8.338 -0.029 19682 1142 1 3 . 1 1 24 24 LYS N N 24 123.434 123.434 123.578 -0.144 19682 1143 1 3 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.542 -0.216 19682 1144 1 3 . 1 1 24 24 LYS C C 24 177.026 177.026 176.261 0.765 19682 1145 1 3 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.458 -0.099 19682 1146 1 3 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.424 -0.431 19682 1147 1 3 . 1 1 24 24 LYS H H 24 8.469 8.469 8.597 -0.128 19682 1148 1 3 . 1 1 25 25 GLY N N 25 110.813 110.813 110.751 0.062 19682 1149 1 3 . 1 1 25 25 GLY C C 25 174.476 174.476 173.900 0.576 19682 1150 1 3 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.930 0.344 19682 1151 1 3 . 1 1 25 25 GLY H H 25 8.531 8.531 8.574 -0.043 19682 1152 1 3 . 1 1 26 26 GLY N N 26 108.690 108.690 110.264 -1.574 19682 1153 1 3 . 1 1 26 26 GLY C C 26 173.851 173.851 174.313 -0.462 19682 1154 1 3 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.675 0.394 19682 1155 1 3 . 1 1 26 26 GLY H H 26 8.279 8.279 7.995 0.284 19682 1156 1 3 . 1 1 27 27 GLU N N 27 121.707 121.707 122.892 -1.185 19682 1157 1 3 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.382 0.202 19682 1158 1 3 . 1 1 27 27 GLU C C 27 174.204 174.204 175.349 -1.145 19682 1159 1 3 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.639 -0.199 19682 1160 1 3 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.362 -0.925 19682 1161 1 3 . 1 1 27 27 GLU H H 27 8.321 8.321 8.472 -0.151 19682 1162 1 3 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.582 -0.188 19682 1163 1 3 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.557 1.254 19682 1164 1 3 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.597 0.561 19682 1165 1 3 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.428 -0.031 19682 1166 1 3 . 1 1 29 29 PRO C C 29 176.462 176.462 176.841 -0.379 19682 1167 1 3 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.561 0.283 19682 1168 1 3 . 1 1 29 29 PRO CB C 29 31.961 31.961 31.691 0.270 19682 1169 1 3 . 1 1 30 30 ALA N N 30 123.850 123.850 126.757 -2.907 19682 1170 1 3 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.235 0.039 19682 1171 1 3 . 1 1 30 30 ALA C C 30 177.368 177.368 178.227 -0.859 19682 1172 1 3 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.799 -0.542 19682 1173 1 3 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.091 0.146 19682 1174 1 3 . 1 1 30 30 ALA H H 30 8.290 8.290 8.432 -0.142 19682 1175 1 3 . 1 1 31 31 LEU N N 31 121.430 121.430 121.755 -0.325 19682 1176 1 3 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.296 0.037 19682 1177 1 3 . 1 1 31 31 LEU C C 31 176.804 176.804 175.767 1.037 19682 1178 1 3 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.899 0.116 19682 1179 1 3 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.380 0.063 19682 1180 1 3 . 1 1 31 31 LEU H H 31 8.139 8.139 7.532 0.607 19682 1181 1 3 . 1 1 32 32 ILE N N 32 123.070 123.070 121.420 1.650 19682 1182 1 3 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.576 -0.408 19682 1183 1 3 . 1 1 32 32 ILE C C 32 175.887 175.887 176.013 -0.126 19682 1184 1 3 . 1 1 32 32 ILE CA C 32 60.690 60.690 60.417 0.273 19682 1185 1 3 . 1 1 32 32 ILE CB C 32 38.477 38.477 39.632 -1.155 19682 1186 1 3 . 1 1 32 32 ILE H H 32 8.140 8.140 8.259 -0.119 19682 1187 1 3 . 1 1 33 33 VAL N N 33 124.923 124.923 119.793 5.130 19682 1188 1 3 . 1 1 33 33 VAL HA H 33 4.087 4.087 3.994 0.093 19682 1189 1 3 . 1 1 33 33 VAL C C 33 175.232 175.232 175.249 -0.017 19682 1190 1 3 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.810 -0.959 19682 1191 1 3 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.273 0.647 19682 1192 1 3 . 1 1 33 33 VAL H H 33 8.198 8.198 8.394 -0.196 19682 1193 1 3 . 1 1 34 34 ASP N N 34 125.813 125.813 119.775 6.038 19682 1194 1 3 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.911 -0.051 19682 1195 1 3 . 1 1 34 34 ASP C C 34 174.919 174.919 174.738 0.181 19682 1196 1 3 . 1 1 34 34 ASP CA C 34 51.926 51.926 51.230 0.696 19682 1197 1 3 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.155 -0.651 19682 1198 1 3 . 1 1 34 34 ASP H H 34 8.336 8.336 7.787 0.549 19682 1199 1 3 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.559 -0.195 19682 1200 1 3 . 1 1 35 35 PRO C C 35 177.091 177.091 175.932 1.159 19682 1201 1 3 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.151 0.363 19682 1202 1 3 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.473 -0.300 19682 1203 1 3 . 1 1 36 36 LEU N N 36 119.977 119.977 116.908 3.069 19682 1204 1 3 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.572 -0.316 19682 1205 1 3 . 1 1 36 36 LEU C C 36 177.479 177.479 176.373 1.106 19682 1206 1 3 . 1 1 36 36 LEU CA C 36 55.226 55.226 55.402 -0.176 19682 1207 1 3 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.556 -0.921 19682 1208 1 3 . 1 1 36 36 LEU H H 36 8.316 8.316 7.788 0.528 19682 1209 1 3 . 1 1 37 37 MET N N 37 120.231 120.231 120.557 -0.326 19682 1210 1 3 . 1 1 37 37 MET HA H 37 4.326 4.326 4.475 -0.149 19682 1211 1 3 . 1 1 37 37 MET C C 37 175.171 175.171 174.728 0.443 19682 1212 1 3 . 1 1 37 37 MET CA C 37 55.160 55.160 54.940 0.220 19682 1213 1 3 . 1 1 37 37 MET CB C 37 32.514 32.514 33.738 -1.224 19682 1214 1 3 . 1 1 37 37 MET H H 37 7.893 7.893 7.948 -0.055 19682 1215 1 3 . 1 1 38 38 LYS N N 38 122.361 122.361 125.754 -3.393 19682 1216 1 3 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.551 -0.391 19682 1217 1 3 . 1 1 38 38 LYS C C 38 175.837 175.837 175.160 0.677 19682 1218 1 3 . 1 1 38 38 LYS CA C 38 56.105 56.105 54.928 1.177 19682 1219 1 3 . 1 1 38 38 LYS CB C 38 33.214 33.214 33.656 -0.442 19682 1220 1 3 . 1 1 38 38 LYS H H 38 7.929 7.929 8.208 -0.279 19682 1221 1 3 . 1 1 39 39 TYR N N 39 120.347 120.347 123.523 -3.176 19682 1222 1 3 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.288 0.282 19682 1223 1 3 . 1 1 39 39 TYR C C 39 174.325 174.325 175.990 -1.665 19682 1224 1 3 . 1 1 39 39 TYR CA C 39 57.424 57.424 59.087 -1.663 19682 1225 1 3 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.071 1.538 19682 1226 1 3 . 1 1 39 39 TYR H H 39 8.020 8.020 8.662 -0.642 19682 1227 1 3 . 1 1 40 40 ILE N N 40 119.688 119.688 124.359 -4.671 19682 1228 1 3 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.144 -0.169 19682 1229 1 3 . 1 1 40 40 ILE C C 40 175.181 175.181 175.608 -0.427 19682 1230 1 3 . 1 1 40 40 ILE CA C 40 58.580 58.580 60.727 -2.147 19682 1231 1 3 . 1 1 40 40 ILE CB C 40 39.694 39.694 37.931 1.764 19682 1232 1 3 . 1 1 40 40 ILE H H 40 8.000 8.000 7.924 0.076 19682 1233 1 3 . 1 1 41 41 CYS N N 41 129.049 129.049 128.218 0.831 19682 1234 1 3 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.196 -0.224 19682 1235 1 3 . 1 1 41 41 CYS C C 41 177.197 177.197 176.579 0.618 19682 1236 1 3 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.382 0.675 19682 1237 1 3 . 1 1 41 41 CYS CB C 41 31.374 31.374 27.034 4.340 19682 1238 1 3 . 1 1 41 41 CYS H H 41 7.990 7.990 8.329 -0.339 19682 1239 1 3 . 1 1 42 42 HIS N N 42 127.633 127.633 128.363 -0.730 19682 1240 1 3 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.260 -0.128 19682 1241 1 3 . 1 1 42 42 HIS C C 42 174.385 174.385 175.590 -1.205 19682 1242 1 3 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.326 -0.335 19682 1243 1 3 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.343 -0.643 19682 1244 1 3 . 1 1 42 42 HIS H H 42 8.933 8.933 8.689 0.244 19682 1245 1 3 . 1 1 43 43 ILE N N 43 119.482 119.482 118.858 0.624 19682 1246 1 3 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.251 -0.086 19682 1247 1 3 . 1 1 43 43 ILE C C 43 176.673 176.673 176.499 0.174 19682 1248 1 3 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.788 -0.666 19682 1249 1 3 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.904 -1.570 19682 1250 1 3 . 1 1 43 43 ILE H H 43 8.944 8.944 7.958 0.986 19682 1251 1 3 . 1 1 44 44 CYS N N 44 117.996 117.996 115.992 2.004 19682 1252 1 3 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.911 -0.027 19682 1253 1 3 . 1 1 44 44 CYS C C 44 176.008 176.008 176.232 -0.224 19682 1254 1 3 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.129 1.872 19682 1255 1 3 . 1 1 44 44 CYS CB C 44 31.055 31.055 29.623 1.432 19682 1256 1 3 . 1 1 44 44 CYS H H 44 8.221 8.221 8.357 -0.136 19682 1257 1 3 . 1 1 45 45 ASN N N 45 117.410 117.410 120.533 -3.123 19682 1258 1 3 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.369 0.018 19682 1259 1 3 . 1 1 45 45 ASN C C 45 173.893 173.893 174.505 -0.612 19682 1260 1 3 . 1 1 45 45 ASN CA C 45 55.014 55.014 56.121 -1.107 19682 1261 1 3 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.255 0.599 19682 1262 1 3 . 1 1 45 45 ASN H H 45 8.040 8.040 8.704 -0.664 19682 1263 1 3 . 1 1 46 46 ARG N N 46 117.127 117.127 122.214 -5.087 19682 1264 1 3 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.296 0.424 19682 1265 1 3 . 1 1 46 46 ARG C C 46 176.865 176.865 176.789 0.076 19682 1266 1 3 . 1 1 46 46 ARG CA C 46 55.427 55.427 57.434 -2.007 19682 1267 1 3 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.444 3.708 19682 1268 1 3 . 1 1 46 46 ARG H H 46 8.201 8.201 7.886 0.315 19682 1269 1 3 . 1 1 47 47 GLY N N 47 109.334 109.334 111.261 -1.927 19682 1270 1 3 . 1 1 47 47 GLY C C 47 173.670 173.670 173.884 -0.214 19682 1271 1 3 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.861 0.155 19682 1272 1 3 . 1 1 47 47 GLY H H 47 8.902 8.902 8.883 0.019 19682 1273 1 3 . 1 1 48 48 ASP N N 48 117.908 117.908 119.960 -2.052 19682 1274 1 3 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.601 0.099 19682 1275 1 3 . 1 1 48 48 ASP C C 48 173.871 173.871 176.879 -3.008 19682 1276 1 3 . 1 1 48 48 ASP CA C 48 52.409 52.409 55.076 -2.667 19682 1277 1 3 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.302 -0.443 19682 1278 1 3 . 1 1 48 48 ASP H H 48 8.046 8.046 8.194 -0.148 19682 1279 1 3 . 1 1 49 49 VAL N N 49 117.921 117.921 120.763 -2.842 19682 1280 1 3 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.120 -0.417 19682 1281 1 3 . 1 1 49 49 VAL C C 49 177.096 177.096 176.109 0.987 19682 1282 1 3 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.099 0.392 19682 1283 1 3 . 1 1 49 49 VAL CB C 49 29.423 29.423 29.035 0.388 19682 1284 1 3 . 1 1 49 49 VAL H H 49 8.772 8.772 7.991 0.781 19682 1285 1 3 . 1 1 50 50 GLU N N 50 120.434 120.434 123.321 -2.887 19682 1286 1 3 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.168 -0.336 19682 1287 1 3 . 1 1 50 50 GLU C C 50 178.779 178.779 178.348 0.431 19682 1288 1 3 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.792 1.128 19682 1289 1 3 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.466 -0.329 19682 1290 1 3 . 1 1 50 50 GLU H H 50 9.047 9.047 7.787 1.260 19682 1291 1 3 . 1 1 51 51 GLU N N 51 119.158 119.158 121.048 -1.890 19682 1292 1 3 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.140 0.167 19682 1293 1 3 . 1 1 51 51 GLU C C 51 177.358 177.358 177.749 -0.391 19682 1294 1 3 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.694 -0.438 19682 1295 1 3 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.294 -1.069 19682 1296 1 3 . 1 1 51 51 GLU H H 51 9.822 9.822 8.470 1.352 19682 1297 1 3 . 1 1 52 52 SER N N 52 116.430 116.430 113.021 3.409 19682 1298 1 3 . 1 1 52 52 SER HA H 52 4.716 4.716 4.624 0.092 19682 1299 1 3 . 1 1 52 52 SER C C 52 172.309 172.309 173.494 -1.185 19682 1300 1 3 . 1 1 52 52 SER CA C 52 57.745 57.745 56.680 1.065 19682 1301 1 3 . 1 1 52 52 SER CB C 52 64.494 64.494 63.719 0.775 19682 1302 1 3 . 1 1 52 52 SER H H 52 8.291 8.291 7.596 0.695 19682 1303 1 3 . 1 1 53 53 MET N N 53 121.812 121.812 124.459 -2.647 19682 1304 1 3 . 1 1 53 53 MET HA H 53 4.577 4.577 4.419 0.158 19682 1305 1 3 . 1 1 53 53 MET C C 53 174.385 174.385 175.500 -1.115 19682 1306 1 3 . 1 1 53 53 MET CA C 53 54.784 54.784 55.088 -0.304 19682 1307 1 3 . 1 1 53 53 MET CB C 53 33.410 33.410 32.112 1.298 19682 1308 1 3 . 1 1 53 53 MET H H 53 7.648 7.648 7.219 0.429 19682 1309 1 3 . 1 1 54 54 LEU N N 54 128.167 128.167 128.694 -0.527 19682 1310 1 3 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.368 -0.120 19682 1311 1 3 . 1 1 54 54 LEU C C 54 175.111 175.111 175.263 -0.152 19682 1312 1 3 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.601 0.022 19682 1313 1 3 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.128 1.631 19682 1314 1 3 . 1 1 54 54 LEU H H 54 9.007 9.007 8.714 0.293 19682 1315 1 3 . 1 1 55 55 LEU N N 55 122.173 122.173 125.684 -3.511 19682 1316 1 3 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.873 -0.068 19682 1317 1 3 . 1 1 55 55 LEU C C 55 176.260 176.260 176.006 0.254 19682 1318 1 3 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.179 0.068 19682 1319 1 3 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.314 -0.041 19682 1320 1 3 . 1 1 55 55 LEU H H 55 8.139 8.139 8.507 -0.368 19682 1321 1 3 . 1 1 56 56 CYS N N 56 126.541 126.541 129.299 -2.758 19682 1322 1 3 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.723 0.003 19682 1323 1 3 . 1 1 56 56 CYS C C 56 177.671 177.671 174.485 3.186 19682 1324 1 3 . 1 1 56 56 CYS CA C 56 60.220 60.220 57.888 2.332 19682 1325 1 3 . 1 1 56 56 CYS CB C 56 31.083 31.083 25.991 5.092 19682 1326 1 3 . 1 1 56 56 CYS H H 56 8.996 8.996 8.763 0.233 19682 1327 1 3 . 1 1 57 57 ASP N N 57 130.338 130.338 128.415 1.923 19682 1328 1 3 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.399 0.268 19682 1329 1 3 . 1 1 57 57 ASP C C 57 176.159 176.159 176.326 -0.167 19682 1330 1 3 . 1 1 57 57 ASP CA C 57 57.457 57.457 55.486 1.971 19682 1331 1 3 . 1 1 57 57 ASP CB C 57 42.201 42.201 40.407 1.794 19682 1332 1 3 . 1 1 57 57 ASP H H 57 9.373 9.373 8.131 1.242 19682 1333 1 3 . 1 1 58 58 GLY N N 58 114.137 114.137 112.056 2.081 19682 1334 1 3 . 1 1 58 58 GLY C C 58 174.801 174.801 174.423 0.378 19682 1335 1 3 . 1 1 58 58 GLY CA C 58 45.982 45.982 45.216 0.766 19682 1336 1 3 . 1 1 58 58 GLY H H 58 10.023 10.023 8.417 1.606 19682 1337 1 3 . 1 1 59 59 CYS N N 59 120.775 120.775 117.772 3.003 19682 1338 1 3 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.923 -0.032 19682 1339 1 3 . 1 1 59 59 CYS C C 59 175.564 175.564 174.283 1.281 19682 1340 1 3 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.722 1.019 19682 1341 1 3 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.409 3.670 19682 1342 1 3 . 1 1 59 59 CYS H H 59 8.132 8.132 7.982 0.150 19682 1343 1 3 . 1 1 60 60 ASP N N 60 119.232 119.232 119.340 -0.108 19682 1344 1 3 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.310 0.379 19682 1345 1 3 . 1 1 60 60 ASP C C 60 174.738 174.738 175.396 -0.658 19682 1346 1 3 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.962 0.503 19682 1347 1 3 . 1 1 60 60 ASP CB C 60 41.041 41.041 39.746 1.295 19682 1348 1 3 . 1 1 60 60 ASP H H 60 8.085 8.085 8.645 -0.560 19682 1349 1 3 . 1 1 61 61 ASP N N 61 121.704 121.704 120.683 1.021 19682 1350 1 3 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.504 0.345 19682 1351 1 3 . 1 1 61 61 ASP C C 61 175.454 175.454 176.501 -1.047 19682 1352 1 3 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.798 0.695 19682 1353 1 3 . 1 1 61 61 ASP CB C 61 42.194 42.194 40.476 1.718 19682 1354 1 3 . 1 1 61 61 ASP H H 61 8.703 8.703 7.912 0.791 19682 1355 1 3 . 1 1 62 62 SER N N 62 113.381 113.381 120.506 -7.125 19682 1356 1 3 . 1 1 62 62 SER HA H 62 5.703 5.703 5.235 0.468 19682 1357 1 3 . 1 1 62 62 SER C C 62 173.821 173.821 173.537 0.284 19682 1358 1 3 . 1 1 62 62 SER CA C 62 56.165 56.165 58.641 -2.476 19682 1359 1 3 . 1 1 62 62 SER CB C 62 65.275 65.275 63.739 1.536 19682 1360 1 3 . 1 1 62 62 SER H H 62 8.313 8.313 8.383 -0.070 19682 1361 1 3 . 1 1 63 63 TYR N N 63 120.467 120.467 122.455 -1.988 19682 1362 1 3 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.681 0.670 19682 1363 1 3 . 1 1 63 63 TYR C C 63 175.393 175.393 174.656 0.737 19682 1364 1 3 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.980 -0.293 19682 1365 1 3 . 1 1 63 63 TYR CB C 63 44.326 44.326 43.202 1.124 19682 1366 1 3 . 1 1 63 63 TYR H H 63 8.815 8.815 8.818 -0.003 19682 1367 1 3 . 1 1 64 64 HIS N N 64 121.957 121.957 117.108 4.849 19682 1368 1 3 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.399 -0.549 19682 1369 1 3 . 1 1 64 64 HIS C C 64 178.559 178.559 176.766 1.793 19682 1370 1 3 . 1 1 64 64 HIS CA C 64 57.490 57.490 53.740 3.750 19682 1371 1 3 . 1 1 64 64 HIS CB C 64 31.036 31.036 32.290 -1.254 19682 1372 1 3 . 1 1 64 64 HIS H H 64 9.276 9.276 8.351 0.925 19682 1373 1 3 . 1 1 65 65 THR N N 65 113.100 113.100 115.301 -2.201 19682 1374 1 3 . 1 1 65 65 THR HA H 65 3.603 3.603 3.860 -0.257 19682 1375 1 3 . 1 1 65 65 THR C C 65 176.824 176.824 175.947 0.877 19682 1376 1 3 . 1 1 65 65 THR CA C 65 64.805 64.805 65.874 -1.069 19682 1377 1 3 . 1 1 65 65 THR CB C 65 66.441 66.441 68.971 -2.530 19682 1378 1 3 . 1 1 65 65 THR H H 65 8.832 8.832 8.163 0.669 19682 1379 1 3 . 1 1 66 66 PHE N N 66 111.288 111.288 115.075 -3.787 19682 1380 1 3 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.712 0.013 19682 1381 1 3 . 1 1 66 66 PHE C C 66 176.846 176.846 176.177 0.669 19682 1382 1 3 . 1 1 66 66 PHE CA C 66 56.215 56.215 57.741 -1.526 19682 1383 1 3 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.413 0.018 19682 1384 1 3 . 1 1 66 66 PHE H H 66 6.541 6.541 7.923 -1.382 19682 1385 1 3 . 1 1 67 67 CYS N N 67 123.228 123.228 118.974 4.254 19682 1386 1 3 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.362 0.131 19682 1387 1 3 . 1 1 67 67 CYS C C 67 174.627 174.627 175.782 -1.155 19682 1388 1 3 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.941 1.195 19682 1389 1 3 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.599 3.004 19682 1390 1 3 . 1 1 67 67 CYS H H 67 7.384 7.384 7.251 0.133 19682 1391 1 3 . 1 1 68 68 LEU N N 68 119.645 119.645 118.960 0.685 19682 1392 1 3 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.298 -0.171 19682 1393 1 3 . 1 1 68 68 LEU C C 68 174.738 174.738 176.112 -1.374 19682 1394 1 3 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.630 -0.619 19682 1395 1 3 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.410 1.713 19682 1396 1 3 . 1 1 68 68 LEU H H 68 6.514 6.514 7.778 -1.264 19682 1397 1 3 . 1 1 69 69 LEU N N 69 119.803 119.803 120.726 -0.923 19682 1398 1 3 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.899 -0.216 19682 1399 1 3 . 1 1 69 69 LEU C C 69 174.879 174.879 174.947 -0.068 19682 1400 1 3 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.664 -1.447 19682 1401 1 3 . 1 1 69 69 LEU CB C 69 44.335 44.335 43.087 1.248 19682 1402 1 3 . 1 1 69 69 LEU H H 69 8.050 8.050 7.932 0.118 19682 1403 1 3 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.895 0.139 19682 1404 1 3 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.424 0.621 19682 1405 1 3 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.593 1.440 19682 1406 1 3 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.556 -0.108 19682 1407 1 3 . 1 1 71 71 PRO C C 71 177.632 177.632 176.672 0.960 19682 1408 1 3 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.607 0.381 19682 1409 1 3 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.742 -0.613 19682 1410 1 3 . 1 1 72 72 LEU N N 72 121.033 121.033 127.471 -6.438 19682 1411 1 3 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.271 0.375 19682 1412 1 3 . 1 1 72 72 LEU C C 72 177.983 177.983 177.619 0.364 19682 1413 1 3 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.713 -0.676 19682 1414 1 3 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.630 3.754 19682 1415 1 3 . 1 1 72 72 LEU H H 72 7.660 7.660 8.263 -0.603 19682 1416 1 3 . 1 1 73 73 THR N N 73 112.645 112.645 114.997 -2.352 19682 1417 1 3 . 1 1 73 73 THR HA H 73 4.289 4.289 4.201 0.088 19682 1418 1 3 . 1 1 73 73 THR C C 73 174.305 174.305 175.310 -1.005 19682 1419 1 3 . 1 1 73 73 THR CA C 73 62.324 62.324 63.916 -1.592 19682 1420 1 3 . 1 1 73 73 THR CB C 73 69.019 69.019 69.168 -0.149 19682 1421 1 3 . 1 1 73 73 THR H H 73 8.694 8.694 7.824 0.870 19682 1422 1 3 . 1 1 74 74 SER N N 74 114.234 114.234 117.325 -3.091 19682 1423 1 3 . 1 1 74 74 SER HA H 74 4.584 4.584 4.469 0.115 19682 1424 1 3 . 1 1 74 74 SER C C 74 172.833 172.833 174.508 -1.675 19682 1425 1 3 . 1 1 74 74 SER CA C 74 56.827 56.827 57.464 -0.637 19682 1426 1 3 . 1 1 74 74 SER CB C 74 64.678 64.678 64.081 0.598 19682 1427 1 3 . 1 1 74 74 SER H H 74 7.503 7.503 7.856 -0.353 19682 1428 1 3 . 1 1 75 75 ILE N N 75 123.720 123.720 125.169 -1.449 19682 1429 1 3 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.047 0.032 19682 1430 1 3 . 1 1 75 75 ILE C C 75 174.819 174.819 175.854 -1.035 19682 1431 1 3 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.284 -0.676 19682 1432 1 3 . 1 1 75 75 ILE CB C 75 37.788 37.788 36.503 1.285 19682 1433 1 3 . 1 1 75 75 ILE H H 75 8.498 8.498 8.472 0.026 19682 1434 1 3 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.542 -0.134 19682 1435 1 3 . 1 1 76 76 PRO C C 76 176.339 176.339 177.371 -1.032 19682 1436 1 3 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.386 0.618 19682 1437 1 3 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.405 -0.269 19682 1438 1 3 . 1 1 77 77 LYS N N 77 121.662 121.662 120.048 1.614 19682 1439 1 3 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.340 -0.005 19682 1440 1 3 . 1 1 77 77 LYS C C 77 177.278 177.278 177.473 -0.195 19682 1441 1 3 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.240 0.058 19682 1442 1 3 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.087 1.690 19682 1443 1 3 . 1 1 77 77 LYS H H 77 8.516 8.516 8.776 -0.260 19682 1444 1 3 . 1 1 78 78 GLY N N 78 110.250 110.250 109.520 0.730 19682 1445 1 3 . 1 1 78 78 GLY C C 78 172.995 172.995 174.151 -1.156 19682 1446 1 3 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.822 -1.276 19682 1447 1 3 . 1 1 78 78 GLY H H 78 8.150 8.150 8.117 0.033 19682 1448 1 3 . 1 1 79 79 GLU N N 79 121.820 121.820 125.993 -4.173 19682 1449 1 3 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.260 0.109 19682 1450 1 3 . 1 1 79 79 GLU C C 79 175.847 175.847 175.582 0.265 19682 1451 1 3 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.165 0.812 19682 1452 1 3 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.544 1.095 19682 1453 1 3 . 1 1 79 79 GLU H H 79 8.342 8.342 8.132 0.210 19682 1454 1 3 . 1 1 80 80 TRP N N 80 126.690 126.690 127.870 -1.180 19682 1455 1 3 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.907 -0.393 19682 1456 1 3 . 1 1 80 80 TRP C C 80 172.733 172.733 174.071 -1.338 19682 1457 1 3 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.530 3.038 19682 1458 1 3 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.376 -0.967 19682 1459 1 3 . 1 1 80 80 TRP H H 80 9.370 9.370 8.081 1.289 19682 1460 1 3 . 1 1 81 81 LEU N N 81 125.572 125.572 127.113 -1.541 19682 1461 1 3 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.164 0.857 19682 1462 1 3 . 1 1 81 81 LEU C C 81 174.617 174.617 174.998 -0.381 19682 1463 1 3 . 1 1 81 81 LEU CA C 81 51.434 51.434 51.906 -0.472 19682 1464 1 3 . 1 1 81 81 LEU CB C 81 44.860 44.860 45.127 -0.267 19682 1465 1 3 . 1 1 81 81 LEU H H 81 6.540 6.540 7.721 -1.181 19682 1466 1 3 . 1 1 82 82 CYS N N 82 125.868 125.868 118.905 6.963 19682 1467 1 3 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.948 -0.419 19682 1468 1 3 . 1 1 82 82 CYS C C 82 172.652 172.652 175.258 -2.606 19682 1469 1 3 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.420 1.142 19682 1470 1 3 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.290 3.254 19682 1471 1 3 . 1 1 82 82 CYS H H 82 9.086 9.086 7.843 1.243 19682 1472 1 3 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.906 0.162 19682 1473 1 3 . 1 1 83 83 PRO C C 83 178.541 178.541 178.753 -0.212 19682 1474 1 3 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.890 -0.623 19682 1475 1 3 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.712 0.497 19682 1476 1 3 . 1 1 84 84 ARG N N 84 117.140 117.140 117.112 0.028 19682 1477 1 3 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.067 0.130 19682 1478 1 3 . 1 1 84 84 ARG C C 84 177.983 177.983 177.343 0.640 19682 1479 1 3 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.594 -0.058 19682 1480 1 3 . 1 1 84 84 ARG CB C 84 30.815 30.815 30.164 0.651 19682 1481 1 3 . 1 1 84 84 ARG H H 84 8.041 8.041 8.244 -0.203 19682 1482 1 3 . 1 1 85 85 CYS N N 85 123.417 123.417 115.922 7.495 19682 1483 1 3 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.325 -0.422 19682 1484 1 3 . 1 1 85 85 CYS C C 85 177.298 177.298 176.574 0.724 19682 1485 1 3 . 1 1 85 85 CYS CA C 85 64.168 64.168 59.763 4.405 19682 1486 1 3 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.555 3.483 19682 1487 1 3 . 1 1 85 85 CYS H H 85 8.210 8.210 7.748 0.462 19682 1488 1 3 . 1 1 86 86 VAL N N 86 118.037 118.037 120.213 -2.176 19682 1489 1 3 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.624 0.016 19682 1490 1 3 . 1 1 86 86 VAL C C 86 176.623 176.623 177.186 -0.563 19682 1491 1 3 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.593 -1.085 19682 1492 1 3 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.838 -0.036 19682 1493 1 3 . 1 1 86 86 VAL H H 86 7.951 7.951 7.625 0.326 19682 1494 1 3 . 1 1 87 87 VAL N N 87 119.227 119.227 117.839 1.388 19682 1495 1 3 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.935 0.041 19682 1496 1 3 . 1 1 87 87 VAL C C 87 176.774 176.774 175.980 0.794 19682 1497 1 3 . 1 1 87 87 VAL CA C 87 63.182 63.182 62.101 1.081 19682 1498 1 3 . 1 1 87 87 VAL CB C 87 32.210 32.210 29.642 2.568 19682 1499 1 3 . 1 1 87 87 VAL H H 87 7.255 7.255 7.375 -0.120 19682 1500 1 3 . 1 1 88 88 GLU N N 88 122.469 122.469 123.278 -0.809 19682 1501 1 3 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.022 0.177 19682 1502 1 3 . 1 1 88 88 GLU C C 88 176.623 176.623 177.375 -0.752 19682 1503 1 3 . 1 1 88 88 GLU CA C 88 56.950 56.950 58.088 -1.138 19682 1504 1 3 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.014 0.076 19682 1505 1 3 . 1 1 88 88 GLU H H 88 7.986 7.986 7.838 0.148 19682 1506 1 3 . 1 1 89 89 GLU N N 89 121.343 121.343 117.977 3.366 19682 1507 1 3 . 1 1 89 89 GLU HA H 89 4.189 4.189 3.915 0.274 19682 1508 1 3 . 1 1 89 89 GLU C C 89 176.744 176.744 176.288 0.456 19682 1509 1 3 . 1 1 89 89 GLU CA C 89 56.956 56.956 57.871 -0.915 19682 1510 1 3 . 1 1 89 89 GLU CB C 89 29.912 29.912 28.427 1.485 19682 1511 1 3 . 1 1 89 89 GLU H H 89 8.168 8.168 8.612 -0.444 19682 1512 1 3 . 1 1 90 90 VAL N N 90 120.127 120.127 119.751 0.376 19682 1513 1 3 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.827 0.257 19682 1514 1 3 . 1 1 90 90 VAL C C 90 176.290 176.290 175.634 0.656 19682 1515 1 3 . 1 1 90 90 VAL CA C 90 62.592 62.592 63.251 -0.659 19682 1516 1 3 . 1 1 90 90 VAL CB C 90 32.527 32.527 30.346 2.182 19682 1517 1 3 . 1 1 90 90 VAL H H 90 8.027 8.027 8.108 -0.081 19682 1518 1 3 . 1 1 91 91 SER N N 91 118.678 118.678 121.070 -2.392 19682 1519 1 3 . 1 1 91 91 SER HA H 91 4.439 4.439 4.622 -0.183 19682 1520 1 3 . 1 1 91 91 SER C C 91 173.932 173.932 173.139 0.793 19682 1521 1 3 . 1 1 91 91 SER CA C 91 58.189 58.189 58.051 0.138 19682 1522 1 3 . 1 1 91 91 SER CB C 91 63.706 63.706 64.028 -0.322 19682 1523 1 3 . 1 1 91 91 SER H H 91 8.222 8.222 8.101 0.121 19682 1524 1 3 . 1 1 92 92 LYS N N 92 124.547 124.547 125.503 -0.956 19682 1525 1 3 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.784 -0.177 19682 1526 1 3 . 1 1 92 92 LYS C C 92 174.395 174.395 173.946 0.449 19682 1527 1 3 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.961 0.312 19682 1528 1 3 . 1 1 92 92 LYS CB C 92 32.646 32.646 33.944 -1.298 19682 1529 1 3 . 1 1 92 92 LYS H H 92 8.165 8.165 8.057 0.108 19682 1530 1 3 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.401 0.018 19682 1531 1 3 . 1 1 93 93 PRO C C 93 176.194 176.194 176.618 -0.424 19682 1532 1 3 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.131 0.287 19682 1533 1 3 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.934 -0.038 19682 1534 1 4 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.514 0.236 19682 1535 1 4 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.759 -0.467 19682 1536 1 4 . 1 1 2 2 HIS CB C 2 30.558 30.558 29.931 0.627 19682 1537 1 4 . 1 1 2 2 HIS H H 2 8.134 8.134 8.780 -0.646 19682 1538 1 4 . 1 1 3 3 MET N N 3 123.164 123.164 121.603 1.561 19682 1539 1 4 . 1 1 3 3 MET HA H 3 4.494 4.494 4.390 0.104 19682 1540 1 4 . 1 1 3 3 MET C C 3 176.078 176.078 175.462 0.616 19682 1541 1 4 . 1 1 3 3 MET CA C 3 55.504 55.504 55.418 0.086 19682 1542 1 4 . 1 1 3 3 MET CB C 3 32.860 32.860 33.186 -0.326 19682 1543 1 4 . 1 1 3 3 MET H H 3 8.419 8.419 7.110 1.309 19682 1544 1 4 . 1 1 4 4 SER N N 4 117.403 117.403 121.600 -4.197 19682 1545 1 4 . 1 1 4 4 SER HA H 4 4.439 4.439 4.597 -0.158 19682 1546 1 4 . 1 1 4 4 SER C C 4 175.011 175.011 174.034 0.977 19682 1547 1 4 . 1 1 4 4 SER CA C 4 58.516 58.516 58.167 0.349 19682 1548 1 4 . 1 1 4 4 SER CB C 4 63.773 63.773 63.737 0.036 19682 1549 1 4 . 1 1 4 4 SER H H 4 8.416 8.416 8.872 -0.456 19682 1550 1 4 . 1 1 5 5 GLY N N 5 111.174 111.174 109.292 1.882 19682 1551 1 4 . 1 1 5 5 GLY C C 5 174.567 174.567 174.284 0.283 19682 1552 1 4 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.135 0.050 19682 1553 1 4 . 1 1 5 5 GLY H H 5 8.475 8.475 8.197 0.278 19682 1554 1 4 . 1 1 6 6 GLY N N 6 108.594 108.594 112.035 -3.441 19682 1555 1 4 . 1 1 6 6 GLY C C 6 173.781 173.781 174.519 -0.738 19682 1556 1 4 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.276 -0.293 19682 1557 1 4 . 1 1 6 6 GLY H H 6 8.274 8.274 8.517 -0.243 19682 1558 1 4 . 1 1 7 7 SER N N 7 116.558 116.558 117.329 -0.771 19682 1559 1 4 . 1 1 7 7 SER C C 7 172.995 172.995 174.073 -1.078 19682 1560 1 4 . 1 1 7 7 SER CA C 7 56.387 56.387 56.103 0.284 19682 1561 1 4 . 1 1 7 7 SER CB C 7 63.508 63.508 63.818 -0.310 19682 1562 1 4 . 1 1 7 7 SER H H 7 8.220 8.220 8.117 0.103 19682 1563 1 4 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.714 -0.260 19682 1564 1 4 . 1 1 8 8 PRO C C 8 176.864 176.864 176.195 0.669 19682 1565 1 4 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.838 0.511 19682 1566 1 4 . 1 1 8 8 PRO CB C 8 32.010 32.010 31.646 0.364 19682 1567 1 4 . 1 1 9 9 LEU N N 9 121.497 121.497 119.317 2.180 19682 1568 1 4 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.181 0.123 19682 1569 1 4 . 1 1 9 9 LEU C C 9 177.237 177.237 177.739 -0.502 19682 1570 1 4 . 1 1 9 9 LEU CA C 9 55.023 55.023 56.009 -0.986 19682 1571 1 4 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.774 0.579 19682 1572 1 4 . 1 1 9 9 LEU H H 9 8.196 8.196 7.545 0.651 19682 1573 1 4 . 1 1 10 10 ALA N N 10 124.964 124.964 120.831 4.133 19682 1574 1 4 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.307 0.095 19682 1575 1 4 . 1 1 10 10 ALA C C 10 177.812 177.812 177.359 0.453 19682 1576 1 4 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.676 0.732 19682 1577 1 4 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.488 0.750 19682 1578 1 4 . 1 1 10 10 ALA H H 10 8.242 8.242 7.876 0.366 19682 1579 1 4 . 1 1 11 11 THR N N 11 112.852 112.852 119.009 -6.157 19682 1580 1 4 . 1 1 11 11 THR HA H 11 4.341 4.341 4.354 -0.013 19682 1581 1 4 . 1 1 11 11 THR C C 11 175.181 175.181 175.827 -0.646 19682 1582 1 4 . 1 1 11 11 THR CA C 11 61.870 61.870 62.364 -0.494 19682 1583 1 4 . 1 1 11 11 THR CB C 11 69.622 69.622 70.137 -0.515 19682 1584 1 4 . 1 1 11 11 THR H H 11 8.081 8.081 8.032 0.049 19682 1585 1 4 . 1 1 12 12 GLY N N 12 110.929 110.929 112.923 -1.994 19682 1586 1 4 . 1 1 12 12 GLY C C 12 174.395 174.395 174.146 0.249 19682 1587 1 4 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.330 1.046 19682 1588 1 4 . 1 1 12 12 GLY H H 12 8.408 8.408 8.213 0.195 19682 1589 1 4 . 1 1 13 13 THR N N 13 113.482 113.482 116.313 -2.831 19682 1590 1 4 . 1 1 13 13 THR HA H 13 4.445 4.445 4.200 0.245 19682 1591 1 4 . 1 1 13 13 THR C C 13 174.889 174.889 173.677 1.212 19682 1592 1 4 . 1 1 13 13 THR CA C 13 61.816 61.816 63.559 -1.744 19682 1593 1 4 . 1 1 13 13 THR CB C 13 69.812 69.812 68.550 1.262 19682 1594 1 4 . 1 1 13 13 THR H H 13 8.130 8.130 8.332 -0.202 19682 1595 1 4 . 1 1 14 14 THR N N 14 116.080 116.080 121.627 -5.547 19682 1596 1 4 . 1 1 14 14 THR HA H 14 4.370 4.370 4.380 -0.010 19682 1597 1 4 . 1 1 14 14 THR C C 14 174.385 174.385 173.641 0.744 19682 1598 1 4 . 1 1 14 14 THR CA C 14 61.788 61.788 61.924 -0.136 19682 1599 1 4 . 1 1 14 14 THR CB C 14 69.696 69.696 69.548 0.148 19682 1600 1 4 . 1 1 14 14 THR H H 14 8.199 8.199 7.884 0.315 19682 1601 1 4 . 1 1 15 15 ALA N N 15 126.054 126.054 126.899 -0.845 19682 1602 1 4 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.336 -0.035 19682 1603 1 4 . 1 1 15 15 ALA C C 15 177.469 177.469 177.213 0.256 19682 1604 1 4 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.046 0.800 19682 1605 1 4 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.152 0.032 19682 1606 1 4 . 1 1 15 15 ALA H H 15 8.349 8.349 8.076 0.273 19682 1607 1 4 . 1 1 16 16 ASN N N 16 117.718 117.718 123.179 -5.461 19682 1608 1 4 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.833 -0.089 19682 1609 1 4 . 1 1 16 16 ASN C C 16 175.575 175.575 174.713 0.862 19682 1610 1 4 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.754 0.443 19682 1611 1 4 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.696 -0.964 19682 1612 1 4 . 1 1 16 16 ASN H H 16 8.403 8.403 8.651 -0.248 19682 1613 1 4 . 1 1 17 17 THR N N 17 114.153 114.153 122.515 -8.362 19682 1614 1 4 . 1 1 17 17 THR HA H 17 4.312 4.312 4.274 0.038 19682 1615 1 4 . 1 1 17 17 THR C C 17 174.799 174.799 173.872 0.927 19682 1616 1 4 . 1 1 17 17 THR CA C 17 61.973 61.973 63.297 -1.324 19682 1617 1 4 . 1 1 17 17 THR CB C 17 69.624 69.624 68.665 0.959 19682 1618 1 4 . 1 1 17 17 THR H H 17 8.081 8.081 8.696 -0.615 19682 1619 1 4 . 1 1 18 18 ARG N N 18 122.990 122.990 127.378 -4.388 19682 1620 1 4 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.656 -0.331 19682 1621 1 4 . 1 1 18 18 ARG C C 18 176.875 176.875 175.064 1.811 19682 1622 1 4 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.703 0.848 19682 1623 1 4 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.622 -1.035 19682 1624 1 4 . 1 1 18 18 ARG H H 18 8.351 8.351 7.883 0.468 19682 1625 1 4 . 1 1 19 19 GLY N N 19 109.993 109.993 107.909 2.084 19682 1626 1 4 . 1 1 19 19 GLY C C 19 174.002 174.002 173.564 0.438 19682 1627 1 4 . 1 1 19 19 GLY CA C 19 45.314 45.314 43.937 1.377 19682 1628 1 4 . 1 1 19 19 GLY H H 19 8.394 8.394 8.245 0.149 19682 1629 1 4 . 1 1 20 20 ALA N N 20 123.732 123.732 125.808 -2.076 19682 1630 1 4 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.391 -0.049 19682 1631 1 4 . 1 1 20 20 ALA C C 20 178.034 178.034 177.275 0.759 19682 1632 1 4 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.291 0.359 19682 1633 1 4 . 1 1 20 20 ALA CB C 20 19.221 19.221 18.884 0.337 19682 1634 1 4 . 1 1 20 20 ALA H H 20 8.185 8.185 8.180 0.005 19682 1635 1 4 . 1 1 21 21 SER N N 21 114.750 114.750 121.323 -6.573 19682 1636 1 4 . 1 1 21 21 SER HA H 21 4.419 4.419 4.412 0.007 19682 1637 1 4 . 1 1 21 21 SER C C 21 174.627 174.627 173.780 0.847 19682 1638 1 4 . 1 1 21 21 SER CA C 21 58.495 58.495 58.502 -0.007 19682 1639 1 4 . 1 1 21 21 SER CB C 21 63.697 63.697 62.304 1.393 19682 1640 1 4 . 1 1 21 21 SER H H 21 8.319 8.319 8.455 -0.136 19682 1641 1 4 . 1 1 22 22 GLN N N 22 122.092 122.092 120.836 1.256 19682 1642 1 4 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.434 -0.090 19682 1643 1 4 . 1 1 22 22 GLN C C 22 175.857 175.857 174.859 0.998 19682 1644 1 4 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.285 -0.510 19682 1645 1 4 . 1 1 22 22 GLN CB C 22 29.398 29.398 30.835 -1.437 19682 1646 1 4 . 1 1 22 22 GLN H H 22 8.343 8.343 7.657 0.686 19682 1647 1 4 . 1 1 23 23 LYS N N 23 122.663 122.663 128.330 -5.667 19682 1648 1 4 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.339 -0.042 19682 1649 1 4 . 1 1 23 23 LYS C C 23 176.502 176.502 176.737 -0.235 19682 1650 1 4 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.303 0.012 19682 1651 1 4 . 1 1 23 23 LYS CB C 23 33.048 33.048 31.316 1.732 19682 1652 1 4 . 1 1 23 23 LYS H H 23 8.309 8.309 8.579 -0.270 19682 1653 1 4 . 1 1 24 24 LYS N N 24 123.434 123.434 118.821 4.613 19682 1654 1 4 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.275 0.051 19682 1655 1 4 . 1 1 24 24 LYS C C 24 177.026 177.026 177.645 -0.619 19682 1656 1 4 . 1 1 24 24 LYS CA C 24 56.359 56.359 57.279 -0.920 19682 1657 1 4 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.164 0.829 19682 1658 1 4 . 1 1 24 24 LYS H H 24 8.469 8.469 7.756 0.713 19682 1659 1 4 . 1 1 25 25 GLY N N 25 110.813 110.813 107.836 2.977 19682 1660 1 4 . 1 1 25 25 GLY C C 25 174.476 174.476 174.516 -0.040 19682 1661 1 4 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.423 0.851 19682 1662 1 4 . 1 1 25 25 GLY H H 25 8.531 8.531 8.246 0.285 19682 1663 1 4 . 1 1 26 26 GLY N N 26 108.690 108.690 107.954 0.736 19682 1664 1 4 . 1 1 26 26 GLY C C 26 173.851 173.851 174.812 -0.961 19682 1665 1 4 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.904 0.165 19682 1666 1 4 . 1 1 26 26 GLY H H 26 8.279 8.279 7.575 0.704 19682 1667 1 4 . 1 1 27 27 GLU N N 27 121.707 121.707 121.870 -0.163 19682 1668 1 4 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.338 0.246 19682 1669 1 4 . 1 1 27 27 GLU C C 27 174.204 174.204 174.751 -0.547 19682 1670 1 4 . 1 1 27 27 GLU CA C 27 54.440 54.440 55.255 -0.815 19682 1671 1 4 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.857 -0.420 19682 1672 1 4 . 1 1 27 27 GLU H H 27 8.321 8.321 8.248 0.073 19682 1673 1 4 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.524 -0.130 19682 1674 1 4 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.844 0.967 19682 1675 1 4 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.320 0.838 19682 1676 1 4 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.374 0.023 19682 1677 1 4 . 1 1 29 29 PRO C C 29 176.462 176.462 176.226 0.236 19682 1678 1 4 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.903 -0.059 19682 1679 1 4 . 1 1 29 29 PRO CB C 29 31.961 31.961 29.587 2.374 19682 1680 1 4 . 1 1 30 30 ALA N N 30 123.850 123.850 123.484 0.366 19682 1681 1 4 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.153 0.121 19682 1682 1 4 . 1 1 30 30 ALA C C 30 177.368 177.368 178.042 -0.674 19682 1683 1 4 . 1 1 30 30 ALA CA C 30 52.257 52.257 54.167 -1.910 19682 1684 1 4 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.067 0.171 19682 1685 1 4 . 1 1 30 30 ALA H H 30 8.290 8.290 7.902 0.388 19682 1686 1 4 . 1 1 31 31 LEU N N 31 121.430 121.430 120.647 0.783 19682 1687 1 4 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.340 -0.007 19682 1688 1 4 . 1 1 31 31 LEU C C 31 176.804 176.804 176.514 0.290 19682 1689 1 4 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.081 0.934 19682 1690 1 4 . 1 1 31 31 LEU CB C 31 42.444 42.444 40.940 1.504 19682 1691 1 4 . 1 1 31 31 LEU H H 31 8.139 8.139 8.107 0.032 19682 1692 1 4 . 1 1 32 32 ILE N N 32 123.070 123.070 120.169 2.901 19682 1693 1 4 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.979 0.189 19682 1694 1 4 . 1 1 32 32 ILE C C 32 175.887 175.887 175.538 0.349 19682 1695 1 4 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.793 -1.103 19682 1696 1 4 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.651 0.826 19682 1697 1 4 . 1 1 32 32 ILE H H 32 8.140 8.140 7.801 0.339 19682 1698 1 4 . 1 1 33 33 VAL N N 33 124.923 124.923 127.089 -2.166 19682 1699 1 4 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.350 -0.263 19682 1700 1 4 . 1 1 33 33 VAL C C 33 175.232 175.232 174.977 0.255 19682 1701 1 4 . 1 1 33 33 VAL CA C 33 61.851 61.851 61.555 0.296 19682 1702 1 4 . 1 1 33 33 VAL CB C 33 32.920 32.920 33.724 -0.805 19682 1703 1 4 . 1 1 33 33 VAL H H 33 8.198 8.198 8.084 0.114 19682 1704 1 4 . 1 1 34 34 ASP N N 34 125.813 125.813 125.848 -0.035 19682 1705 1 4 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.885 -0.025 19682 1706 1 4 . 1 1 34 34 ASP C C 34 174.919 174.919 174.395 0.524 19682 1707 1 4 . 1 1 34 34 ASP CA C 34 51.926 51.926 51.881 0.045 19682 1708 1 4 . 1 1 34 34 ASP CB C 34 41.504 41.504 40.706 0.798 19682 1709 1 4 . 1 1 34 34 ASP H H 34 8.336 8.336 8.528 -0.192 19682 1710 1 4 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.465 -0.101 19682 1711 1 4 . 1 1 35 35 PRO C C 35 177.091 177.091 176.044 1.047 19682 1712 1 4 . 1 1 35 35 PRO CA C 35 63.514 63.514 62.692 0.822 19682 1713 1 4 . 1 1 35 35 PRO CB C 35 32.173 32.173 31.058 1.115 19682 1714 1 4 . 1 1 36 36 LEU N N 36 119.977 119.977 113.043 6.934 19682 1715 1 4 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.081 0.175 19682 1716 1 4 . 1 1 36 36 LEU C C 36 177.479 177.479 177.232 0.247 19682 1717 1 4 . 1 1 36 36 LEU CA C 36 55.226 55.226 55.836 -0.610 19682 1718 1 4 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.219 0.416 19682 1719 1 4 . 1 1 36 36 LEU H H 36 8.316 8.316 7.219 1.097 19682 1720 1 4 . 1 1 37 37 MET N N 37 120.231 120.231 119.598 0.633 19682 1721 1 4 . 1 1 37 37 MET HA H 37 4.326 4.326 4.222 0.104 19682 1722 1 4 . 1 1 37 37 MET C C 37 175.171 175.171 176.649 -1.478 19682 1723 1 4 . 1 1 37 37 MET CA C 37 55.160 55.160 56.825 -1.665 19682 1724 1 4 . 1 1 37 37 MET CB C 37 32.514 32.514 32.588 -0.074 19682 1725 1 4 . 1 1 37 37 MET H H 37 7.893 7.893 7.938 -0.045 19682 1726 1 4 . 1 1 38 38 LYS N N 38 122.361 122.361 118.758 3.603 19682 1727 1 4 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.396 -0.236 19682 1728 1 4 . 1 1 38 38 LYS C C 38 175.837 175.837 174.588 1.249 19682 1729 1 4 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.464 0.641 19682 1730 1 4 . 1 1 38 38 LYS CB C 38 33.214 33.214 34.752 -1.538 19682 1731 1 4 . 1 1 38 38 LYS H H 38 7.929 7.929 7.599 0.330 19682 1732 1 4 . 1 1 39 39 TYR N N 39 120.347 120.347 121.809 -1.462 19682 1733 1 4 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.581 -0.011 19682 1734 1 4 . 1 1 39 39 TYR C C 39 174.325 174.325 176.131 -1.806 19682 1735 1 4 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.933 -1.509 19682 1736 1 4 . 1 1 39 39 TYR CB C 39 38.609 38.609 38.784 -0.175 19682 1737 1 4 . 1 1 39 39 TYR H H 39 8.020 8.020 8.481 -0.461 19682 1738 1 4 . 1 1 40 40 ILE N N 40 119.688 119.688 123.418 -3.730 19682 1739 1 4 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.268 -0.293 19682 1740 1 4 . 1 1 40 40 ILE C C 40 175.181 175.181 174.091 1.090 19682 1741 1 4 . 1 1 40 40 ILE CA C 40 58.580 58.580 59.654 -1.075 19682 1742 1 4 . 1 1 40 40 ILE CB C 40 39.694 39.694 41.176 -1.482 19682 1743 1 4 . 1 1 40 40 ILE H H 40 8.000 8.000 8.162 -0.162 19682 1744 1 4 . 1 1 41 41 CYS N N 41 129.049 129.049 127.438 1.611 19682 1745 1 4 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.820 -0.848 19682 1746 1 4 . 1 1 41 41 CYS C C 41 177.197 177.197 176.225 0.972 19682 1747 1 4 . 1 1 41 41 CYS CA C 41 59.057 59.057 57.683 1.374 19682 1748 1 4 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.641 4.733 19682 1749 1 4 . 1 1 41 41 CYS H H 41 7.990 7.990 8.426 -0.436 19682 1750 1 4 . 1 1 42 42 HIS N N 42 127.633 127.633 128.266 -0.633 19682 1751 1 4 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.157 -0.025 19682 1752 1 4 . 1 1 42 42 HIS C C 42 174.385 174.385 176.348 -1.963 19682 1753 1 4 . 1 1 42 42 HIS CA C 42 57.991 57.991 59.459 -1.468 19682 1754 1 4 . 1 1 42 42 HIS CB C 42 28.700 28.700 30.069 -1.369 19682 1755 1 4 . 1 1 42 42 HIS H H 42 8.933 8.933 8.251 0.682 19682 1756 1 4 . 1 1 43 43 ILE N N 43 119.482 119.482 118.057 1.425 19682 1757 1 4 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.809 0.356 19682 1758 1 4 . 1 1 43 43 ILE C C 43 176.673 176.673 177.099 -0.426 19682 1759 1 4 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.491 -1.369 19682 1760 1 4 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.050 0.284 19682 1761 1 4 . 1 1 43 43 ILE H H 43 8.944 8.944 8.378 0.566 19682 1762 1 4 . 1 1 44 44 CYS N N 44 117.996 117.996 116.027 1.969 19682 1763 1 4 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.486 0.398 19682 1764 1 4 . 1 1 44 44 CYS C C 44 176.008 176.008 174.695 1.313 19682 1765 1 4 . 1 1 44 44 CYS CA C 44 59.001 59.001 58.908 0.093 19682 1766 1 4 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.699 3.356 19682 1767 1 4 . 1 1 44 44 CYS H H 44 8.221 8.221 8.093 0.128 19682 1768 1 4 . 1 1 45 45 ASN N N 45 117.410 117.410 113.302 4.108 19682 1769 1 4 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.290 0.097 19682 1770 1 4 . 1 1 45 45 ASN C C 45 173.893 173.893 174.195 -0.302 19682 1771 1 4 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.634 0.380 19682 1772 1 4 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.082 0.772 19682 1773 1 4 . 1 1 45 45 ASN H H 45 8.040 8.040 8.244 -0.204 19682 1774 1 4 . 1 1 46 46 ARG N N 46 117.127 117.127 115.964 1.163 19682 1775 1 4 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.751 -0.031 19682 1776 1 4 . 1 1 46 46 ARG C C 46 176.865 176.865 175.706 1.159 19682 1777 1 4 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.424 1.003 19682 1778 1 4 . 1 1 46 46 ARG CB C 46 34.152 34.152 31.335 2.817 19682 1779 1 4 . 1 1 46 46 ARG H H 46 8.201 8.201 7.350 0.851 19682 1780 1 4 . 1 1 47 47 GLY N N 47 109.334 109.334 107.712 1.622 19682 1781 1 4 . 1 1 47 47 GLY C C 47 173.670 173.670 174.809 -1.139 19682 1782 1 4 . 1 1 47 47 GLY CA C 47 45.017 45.017 46.595 -1.578 19682 1783 1 4 . 1 1 47 47 GLY H H 47 8.902 8.902 8.675 0.227 19682 1784 1 4 . 1 1 48 48 ASP N N 48 117.908 117.908 118.653 -0.745 19682 1785 1 4 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.333 0.367 19682 1786 1 4 . 1 1 48 48 ASP C C 48 173.871 173.871 175.448 -1.577 19682 1787 1 4 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.438 -4.029 19682 1788 1 4 . 1 1 48 48 ASP CB C 48 40.859 40.859 40.532 0.327 19682 1789 1 4 . 1 1 48 48 ASP H H 48 8.046 8.046 8.349 -0.303 19682 1790 1 4 . 1 1 49 49 VAL N N 49 117.921 117.921 122.845 -4.924 19682 1791 1 4 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.333 -0.630 19682 1792 1 4 . 1 1 49 49 VAL C C 49 177.096 177.096 175.350 1.746 19682 1793 1 4 . 1 1 49 49 VAL CA C 49 62.491 62.491 60.765 1.726 19682 1794 1 4 . 1 1 49 49 VAL CB C 49 29.423 29.423 31.937 -2.514 19682 1795 1 4 . 1 1 49 49 VAL H H 49 8.772 8.772 8.006 0.766 19682 1796 1 4 . 1 1 50 50 GLU N N 50 120.434 120.434 128.280 -7.846 19682 1797 1 4 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.068 -0.236 19682 1798 1 4 . 1 1 50 50 GLU C C 50 178.779 178.779 176.787 1.992 19682 1799 1 4 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.427 0.493 19682 1800 1 4 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.921 -0.784 19682 1801 1 4 . 1 1 50 50 GLU H H 50 9.047 9.047 9.063 -0.016 19682 1802 1 4 . 1 1 51 51 GLU N N 51 119.158 119.158 116.950 2.208 19682 1803 1 4 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.179 0.128 19682 1804 1 4 . 1 1 51 51 GLU C C 51 177.358 177.358 177.391 -0.033 19682 1805 1 4 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.386 -0.131 19682 1806 1 4 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.666 -1.441 19682 1807 1 4 . 1 1 51 51 GLU H H 51 9.822 9.822 8.344 1.478 19682 1808 1 4 . 1 1 52 52 SER N N 52 116.430 116.430 113.134 3.296 19682 1809 1 4 . 1 1 52 52 SER HA H 52 4.716 4.716 4.431 0.285 19682 1810 1 4 . 1 1 52 52 SER C C 52 172.309 172.309 174.882 -2.573 19682 1811 1 4 . 1 1 52 52 SER CA C 52 57.745 57.745 59.366 -1.621 19682 1812 1 4 . 1 1 52 52 SER CB C 52 64.494 64.494 63.962 0.532 19682 1813 1 4 . 1 1 52 52 SER H H 52 8.291 8.291 7.631 0.660 19682 1814 1 4 . 1 1 53 53 MET N N 53 121.812 121.812 123.733 -1.921 19682 1815 1 4 . 1 1 53 53 MET HA H 53 4.577 4.577 4.463 0.114 19682 1816 1 4 . 1 1 53 53 MET C C 53 174.385 174.385 175.130 -0.745 19682 1817 1 4 . 1 1 53 53 MET CA C 53 54.784 54.784 55.988 -1.204 19682 1818 1 4 . 1 1 53 53 MET CB C 53 33.410 33.410 32.956 0.453 19682 1819 1 4 . 1 1 53 53 MET H H 53 7.648 7.648 7.306 0.342 19682 1820 1 4 . 1 1 54 54 LEU N N 54 128.167 128.167 127.354 0.813 19682 1821 1 4 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.486 -0.238 19682 1822 1 4 . 1 1 54 54 LEU C C 54 175.111 175.111 175.756 -0.645 19682 1823 1 4 . 1 1 54 54 LEU CA C 54 53.623 53.623 54.061 -0.438 19682 1824 1 4 . 1 1 54 54 LEU CB C 54 43.759 43.759 43.261 0.498 19682 1825 1 4 . 1 1 54 54 LEU H H 54 9.007 9.007 8.072 0.935 19682 1826 1 4 . 1 1 55 55 LEU N N 55 122.173 122.173 121.927 0.246 19682 1827 1 4 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.541 0.264 19682 1828 1 4 . 1 1 55 55 LEU C C 55 176.260 176.260 175.725 0.535 19682 1829 1 4 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.707 -0.460 19682 1830 1 4 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.414 -0.142 19682 1831 1 4 . 1 1 55 55 LEU H H 55 8.139 8.139 8.279 -0.140 19682 1832 1 4 . 1 1 56 56 CYS N N 56 126.541 126.541 127.939 -1.398 19682 1833 1 4 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.727 -0.001 19682 1834 1 4 . 1 1 56 56 CYS C C 56 177.671 177.671 176.579 1.092 19682 1835 1 4 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.691 1.529 19682 1836 1 4 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.162 3.921 19682 1837 1 4 . 1 1 56 56 CYS H H 56 8.996 8.996 8.605 0.391 19682 1838 1 4 . 1 1 57 57 ASP N N 57 130.338 130.338 129.028 1.310 19682 1839 1 4 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.509 0.158 19682 1840 1 4 . 1 1 57 57 ASP C C 57 176.159 176.159 177.018 -0.859 19682 1841 1 4 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.413 1.044 19682 1842 1 4 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.106 1.095 19682 1843 1 4 . 1 1 57 57 ASP H H 57 9.373 9.373 8.771 0.602 19682 1844 1 4 . 1 1 58 58 GLY N N 58 114.137 114.137 105.888 8.249 19682 1845 1 4 . 1 1 58 58 GLY C C 58 174.801 174.801 173.895 0.906 19682 1846 1 4 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.703 1.279 19682 1847 1 4 . 1 1 58 58 GLY H H 58 10.023 10.023 8.302 1.721 19682 1848 1 4 . 1 1 59 59 CYS N N 59 120.775 120.775 117.383 3.392 19682 1849 1 4 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.678 0.213 19682 1850 1 4 . 1 1 59 59 CYS C C 59 175.564 175.564 172.694 2.870 19682 1851 1 4 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.913 0.828 19682 1852 1 4 . 1 1 59 59 CYS CB C 59 33.079 33.079 27.241 5.838 19682 1853 1 4 . 1 1 59 59 CYS H H 59 8.132 8.132 7.324 0.808 19682 1854 1 4 . 1 1 60 60 ASP N N 60 119.232 119.232 120.479 -1.247 19682 1855 1 4 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.918 -0.229 19682 1856 1 4 . 1 1 60 60 ASP C C 60 174.738 174.738 175.805 -1.067 19682 1857 1 4 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.821 1.644 19682 1858 1 4 . 1 1 60 60 ASP CB C 60 41.041 41.041 42.456 -1.415 19682 1859 1 4 . 1 1 60 60 ASP H H 60 8.085 8.085 8.457 -0.372 19682 1860 1 4 . 1 1 61 61 ASP N N 61 121.704 121.704 120.769 0.935 19682 1861 1 4 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.498 0.351 19682 1862 1 4 . 1 1 61 61 ASP C C 61 175.454 175.454 175.475 -0.021 19682 1863 1 4 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.612 0.881 19682 1864 1 4 . 1 1 61 61 ASP CB C 61 42.194 42.194 40.920 1.274 19682 1865 1 4 . 1 1 61 61 ASP H H 61 8.703 8.703 7.705 0.998 19682 1866 1 4 . 1 1 62 62 SER N N 62 113.381 113.381 116.193 -2.812 19682 1867 1 4 . 1 1 62 62 SER HA H 62 5.703 5.703 5.228 0.475 19682 1868 1 4 . 1 1 62 62 SER C C 62 173.821 173.821 173.326 0.495 19682 1869 1 4 . 1 1 62 62 SER CA C 62 56.165 56.165 57.510 -1.345 19682 1870 1 4 . 1 1 62 62 SER CB C 62 65.275 65.275 66.557 -1.282 19682 1871 1 4 . 1 1 62 62 SER H H 62 8.313 8.313 7.911 0.402 19682 1872 1 4 . 1 1 63 63 TYR N N 63 120.467 120.467 121.143 -0.676 19682 1873 1 4 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.629 0.722 19682 1874 1 4 . 1 1 63 63 TYR C C 63 175.393 175.393 174.610 0.783 19682 1875 1 4 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.906 -0.219 19682 1876 1 4 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.860 1.466 19682 1877 1 4 . 1 1 63 63 TYR H H 63 8.815 8.815 8.305 0.510 19682 1878 1 4 . 1 1 64 64 HIS N N 64 121.957 121.957 119.957 2.000 19682 1879 1 4 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.889 -0.039 19682 1880 1 4 . 1 1 64 64 HIS C C 64 178.559 178.559 176.614 1.945 19682 1881 1 4 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.281 2.209 19682 1882 1 4 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.849 0.187 19682 1883 1 4 . 1 1 64 64 HIS H H 64 9.276 9.276 8.459 0.817 19682 1884 1 4 . 1 1 65 65 THR N N 65 113.100 113.100 114.634 -1.534 19682 1885 1 4 . 1 1 65 65 THR HA H 65 3.603 3.603 3.910 -0.307 19682 1886 1 4 . 1 1 65 65 THR C C 65 176.824 176.824 176.606 0.218 19682 1887 1 4 . 1 1 65 65 THR CA C 65 64.805 64.805 65.853 -1.048 19682 1888 1 4 . 1 1 65 65 THR CB C 65 66.441 66.441 69.055 -2.614 19682 1889 1 4 . 1 1 65 65 THR H H 65 8.832 8.832 7.985 0.847 19682 1890 1 4 . 1 1 66 66 PHE N N 66 111.288 111.288 118.243 -6.955 19682 1891 1 4 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.634 0.091 19682 1892 1 4 . 1 1 66 66 PHE C C 66 176.846 176.846 176.802 0.044 19682 1893 1 4 . 1 1 66 66 PHE CA C 66 56.215 56.215 59.026 -2.811 19682 1894 1 4 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.895 -0.465 19682 1895 1 4 . 1 1 66 66 PHE H H 66 6.541 6.541 7.834 -1.293 19682 1896 1 4 . 1 1 67 67 CYS N N 67 123.228 123.228 118.165 5.063 19682 1897 1 4 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.402 0.091 19682 1898 1 4 . 1 1 67 67 CYS C C 67 174.627 174.627 174.428 0.199 19682 1899 1 4 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.337 1.799 19682 1900 1 4 . 1 1 67 67 CYS CB C 67 30.603 30.603 25.722 4.881 19682 1901 1 4 . 1 1 67 67 CYS H H 67 7.384 7.384 7.813 -0.429 19682 1902 1 4 . 1 1 68 68 LEU N N 68 119.645 119.645 118.803 0.842 19682 1903 1 4 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.695 -0.568 19682 1904 1 4 . 1 1 68 68 LEU C C 68 174.738 174.738 175.471 -0.733 19682 1905 1 4 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.752 1.259 19682 1906 1 4 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.105 0.018 19682 1907 1 4 . 1 1 68 68 LEU H H 68 6.514 6.514 7.237 -0.723 19682 1908 1 4 . 1 1 69 69 LEU N N 69 119.803 119.803 122.019 -2.216 19682 1909 1 4 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.846 -0.163 19682 1910 1 4 . 1 1 69 69 LEU C C 69 174.879 174.879 174.957 -0.078 19682 1911 1 4 . 1 1 69 69 LEU CA C 69 51.217 51.217 51.503 -0.286 19682 1912 1 4 . 1 1 69 69 LEU CB C 69 44.335 44.335 43.331 1.004 19682 1913 1 4 . 1 1 69 69 LEU H H 69 8.050 8.050 8.378 -0.328 19682 1914 1 4 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.617 0.417 19682 1915 1 4 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.103 0.942 19682 1916 1 4 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.366 1.667 19682 1917 1 4 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.666 -0.218 19682 1918 1 4 . 1 1 71 71 PRO C C 71 177.632 177.632 177.513 0.119 19682 1919 1 4 . 1 1 71 71 PRO CA C 71 62.988 62.988 61.832 1.156 19682 1920 1 4 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.778 -0.648 19682 1921 1 4 . 1 1 72 72 LEU N N 72 121.033 121.033 122.081 -1.048 19682 1922 1 4 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.404 0.242 19682 1923 1 4 . 1 1 72 72 LEU C C 72 177.983 177.983 177.809 0.174 19682 1924 1 4 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.613 -0.576 19682 1925 1 4 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.314 4.070 19682 1926 1 4 . 1 1 72 72 LEU H H 72 7.660 7.660 8.183 -0.523 19682 1927 1 4 . 1 1 73 73 THR N N 73 112.645 112.645 113.682 -1.037 19682 1928 1 4 . 1 1 73 73 THR HA H 73 4.289 4.289 4.170 0.119 19682 1929 1 4 . 1 1 73 73 THR C C 73 174.305 174.305 175.439 -1.134 19682 1930 1 4 . 1 1 73 73 THR CA C 73 62.324 62.324 63.665 -1.341 19682 1931 1 4 . 1 1 73 73 THR CB C 73 69.019 69.019 69.226 -0.207 19682 1932 1 4 . 1 1 73 73 THR H H 73 8.694 8.694 7.904 0.790 19682 1933 1 4 . 1 1 74 74 SER N N 74 114.234 114.234 117.024 -2.790 19682 1934 1 4 . 1 1 74 74 SER HA H 74 4.584 4.584 4.600 -0.016 19682 1935 1 4 . 1 1 74 74 SER C C 74 172.833 172.833 173.112 -0.279 19682 1936 1 4 . 1 1 74 74 SER CA C 74 56.827 56.827 57.194 -0.367 19682 1937 1 4 . 1 1 74 74 SER CB C 74 64.678 64.678 65.187 -0.509 19682 1938 1 4 . 1 1 74 74 SER H H 74 7.503 7.503 8.156 -0.653 19682 1939 1 4 . 1 1 75 75 ILE N N 75 123.720 123.720 124.846 -1.126 19682 1940 1 4 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.205 -0.127 19682 1941 1 4 . 1 1 75 75 ILE C C 75 174.819 174.819 175.097 -0.278 19682 1942 1 4 . 1 1 75 75 ILE CA C 75 58.608 58.608 57.448 1.160 19682 1943 1 4 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.415 0.373 19682 1944 1 4 . 1 1 75 75 ILE H H 75 8.498 8.498 8.433 0.065 19682 1945 1 4 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.799 -0.391 19682 1946 1 4 . 1 1 76 76 PRO C C 76 176.339 176.339 176.416 -0.077 19682 1947 1 4 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.138 0.866 19682 1948 1 4 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.328 0.808 19682 1949 1 4 . 1 1 77 77 LYS N N 77 121.662 121.662 125.591 -3.929 19682 1950 1 4 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.094 0.241 19682 1951 1 4 . 1 1 77 77 LYS C C 77 177.278 177.278 176.839 0.439 19682 1952 1 4 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.480 -1.183 19682 1953 1 4 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.405 1.372 19682 1954 1 4 . 1 1 77 77 LYS H H 77 8.516 8.516 8.142 0.374 19682 1955 1 4 . 1 1 78 78 GLY N N 78 110.250 110.250 110.756 -0.506 19682 1956 1 4 . 1 1 78 78 GLY C C 78 172.995 172.995 173.920 -0.925 19682 1957 1 4 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.574 -0.028 19682 1958 1 4 . 1 1 78 78 GLY H H 78 8.150 8.150 8.310 -0.160 19682 1959 1 4 . 1 1 79 79 GLU N N 79 121.820 121.820 116.877 4.943 19682 1960 1 4 . 1 1 79 79 GLU HA H 79 4.369 4.369 3.983 0.386 19682 1961 1 4 . 1 1 79 79 GLU C C 79 175.847 175.847 174.925 0.922 19682 1962 1 4 . 1 1 79 79 GLU CA C 79 56.977 56.977 57.681 -0.704 19682 1963 1 4 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.557 1.081 19682 1964 1 4 . 1 1 79 79 GLU H H 79 8.342 8.342 7.893 0.449 19682 1965 1 4 . 1 1 80 80 TRP N N 80 126.690 126.690 120.851 5.839 19682 1966 1 4 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.905 -0.391 19682 1967 1 4 . 1 1 80 80 TRP C C 80 172.733 172.733 174.357 -1.624 19682 1968 1 4 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.453 3.115 19682 1969 1 4 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.994 -1.585 19682 1970 1 4 . 1 1 80 80 TRP H H 80 9.370 9.370 8.335 1.035 19682 1971 1 4 . 1 1 81 81 LEU N N 81 125.572 125.572 127.287 -1.715 19682 1972 1 4 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.282 0.739 19682 1973 1 4 . 1 1 81 81 LEU C C 81 174.617 174.617 175.390 -0.773 19682 1974 1 4 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.650 -1.216 19682 1975 1 4 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.123 1.737 19682 1976 1 4 . 1 1 81 81 LEU H H 81 6.540 6.540 8.308 -1.768 19682 1977 1 4 . 1 1 82 82 CYS N N 82 125.868 125.868 120.659 5.209 19682 1978 1 4 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.722 -0.193 19682 1979 1 4 . 1 1 82 82 CYS C C 82 172.652 172.652 174.766 -2.114 19682 1980 1 4 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.993 0.569 19682 1981 1 4 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.427 3.117 19682 1982 1 4 . 1 1 82 82 CYS H H 82 9.086 9.086 7.794 1.292 19682 1983 1 4 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.202 -0.134 19682 1984 1 4 . 1 1 83 83 PRO C C 83 178.541 178.541 178.797 -0.256 19682 1985 1 4 . 1 1 83 83 PRO CA C 83 65.267 65.267 66.050 -0.783 19682 1986 1 4 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.629 0.580 19682 1987 1 4 . 1 1 84 84 ARG N N 84 117.140 117.140 117.036 0.104 19682 1988 1 4 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.065 0.132 19682 1989 1 4 . 1 1 84 84 ARG C C 84 177.983 177.983 177.050 0.933 19682 1990 1 4 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.557 -0.020 19682 1991 1 4 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.070 1.745 19682 1992 1 4 . 1 1 84 84 ARG H H 84 8.041 8.041 8.223 -0.182 19682 1993 1 4 . 1 1 85 85 CYS N N 85 123.417 123.417 115.616 7.801 19682 1994 1 4 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.307 -0.404 19682 1995 1 4 . 1 1 85 85 CYS C C 85 177.298 177.298 176.480 0.818 19682 1996 1 4 . 1 1 85 85 CYS CA C 85 64.168 64.168 59.814 4.354 19682 1997 1 4 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.800 3.237 19682 1998 1 4 . 1 1 85 85 CYS H H 85 8.210 8.210 7.421 0.789 19682 1999 1 4 . 1 1 86 86 VAL N N 86 118.037 118.037 119.701 -1.664 19682 2000 1 4 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.499 0.141 19682 2001 1 4 . 1 1 86 86 VAL C C 86 176.623 176.623 177.615 -0.992 19682 2002 1 4 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.705 -1.197 19682 2003 1 4 . 1 1 86 86 VAL CB C 86 31.802 31.802 32.033 -0.231 19682 2004 1 4 . 1 1 86 86 VAL H H 86 7.951 7.951 7.986 -0.035 19682 2005 1 4 . 1 1 87 87 VAL N N 87 119.227 119.227 112.103 7.124 19682 2006 1 4 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.528 0.448 19682 2007 1 4 . 1 1 87 87 VAL C C 87 176.774 176.774 176.408 0.366 19682 2008 1 4 . 1 1 87 87 VAL CA C 87 63.182 63.182 65.469 -2.287 19682 2009 1 4 . 1 1 87 87 VAL CB C 87 32.210 32.210 29.993 2.217 19682 2010 1 4 . 1 1 87 87 VAL H H 87 7.255 7.255 7.763 -0.508 19682 2011 1 4 . 1 1 88 88 GLU N N 88 122.469 122.469 120.527 1.942 19682 2012 1 4 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.373 -0.174 19682 2013 1 4 . 1 1 88 88 GLU C C 88 176.623 176.623 176.028 0.595 19682 2014 1 4 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.813 0.137 19682 2015 1 4 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.390 -0.300 19682 2016 1 4 . 1 1 88 88 GLU H H 88 7.986 7.986 7.885 0.101 19682 2017 1 4 . 1 1 89 89 GLU N N 89 121.343 121.343 114.392 6.951 19682 2018 1 4 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.448 -0.259 19682 2019 1 4 . 1 1 89 89 GLU C C 89 176.744 176.744 175.249 1.495 19682 2020 1 4 . 1 1 89 89 GLU CA C 89 56.956 56.956 55.586 1.370 19682 2021 1 4 . 1 1 89 89 GLU CB C 89 29.912 29.912 31.513 -1.601 19682 2022 1 4 . 1 1 89 89 GLU H H 89 8.168 8.168 8.459 -0.291 19682 2023 1 4 . 1 1 90 90 VAL N N 90 120.127 120.127 122.319 -2.192 19682 2024 1 4 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.062 0.022 19682 2025 1 4 . 1 1 90 90 VAL C C 90 176.290 176.290 175.358 0.932 19682 2026 1 4 . 1 1 90 90 VAL CA C 90 62.592 62.592 61.459 1.133 19682 2027 1 4 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.617 0.910 19682 2028 1 4 . 1 1 90 90 VAL H H 90 8.027 8.027 8.208 -0.181 19682 2029 1 4 . 1 1 91 91 SER N N 91 118.678 118.678 124.065 -5.387 19682 2030 1 4 . 1 1 91 91 SER HA H 91 4.439 4.439 4.239 0.200 19682 2031 1 4 . 1 1 91 91 SER C C 91 173.932 173.932 174.063 -0.131 19682 2032 1 4 . 1 1 91 91 SER CA C 91 58.189 58.189 59.406 -1.217 19682 2033 1 4 . 1 1 91 91 SER CB C 91 63.706 63.706 62.708 0.998 19682 2034 1 4 . 1 1 91 91 SER H H 91 8.222 8.222 7.985 0.237 19682 2035 1 4 . 1 1 92 92 LYS N N 92 124.547 124.547 122.713 1.834 19682 2036 1 4 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.211 0.396 19682 2037 1 4 . 1 1 92 92 LYS C C 92 174.395 174.395 174.188 0.207 19682 2038 1 4 . 1 1 92 92 LYS CA C 92 54.272 54.272 56.014 -1.742 19682 2039 1 4 . 1 1 92 92 LYS CB C 92 32.646 32.646 30.623 2.023 19682 2040 1 4 . 1 1 92 92 LYS H H 92 8.165 8.165 8.581 -0.416 19682 2041 1 4 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.435 -0.016 19682 2042 1 4 . 1 1 93 93 PRO C C 93 176.194 176.194 176.489 -0.295 19682 2043 1 4 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.210 0.208 19682 2044 1 4 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.265 -0.369 19682 2045 1 5 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.684 0.066 19682 2046 1 5 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.426 0.866 19682 2047 1 5 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.609 -0.051 19682 2048 1 5 . 1 1 2 2 HIS H H 2 8.134 8.134 8.399 -0.265 19682 2049 1 5 . 1 1 3 3 MET N N 3 123.164 123.164 123.725 -0.561 19682 2050 1 5 . 1 1 3 3 MET HA H 3 4.494 4.494 4.613 -0.119 19682 2051 1 5 . 1 1 3 3 MET C C 3 176.078 176.078 175.900 0.178 19682 2052 1 5 . 1 1 3 3 MET CA C 3 55.504 55.504 54.529 0.975 19682 2053 1 5 . 1 1 3 3 MET CB C 3 32.860 32.860 33.237 -0.377 19682 2054 1 5 . 1 1 3 3 MET H H 3 8.419 8.419 8.568 -0.149 19682 2055 1 5 . 1 1 4 4 SER N N 4 117.403 117.403 120.271 -2.868 19682 2056 1 5 . 1 1 4 4 SER HA H 4 4.439 4.439 4.668 -0.229 19682 2057 1 5 . 1 1 4 4 SER C C 4 175.011 175.011 175.262 -0.251 19682 2058 1 5 . 1 1 4 4 SER CA C 4 58.516 58.516 58.056 0.460 19682 2059 1 5 . 1 1 4 4 SER CB C 4 63.773 63.773 62.510 1.263 19682 2060 1 5 . 1 1 4 4 SER H H 4 8.416 8.416 8.973 -0.557 19682 2061 1 5 . 1 1 5 5 GLY N N 5 111.174 111.174 113.262 -2.088 19682 2062 1 5 . 1 1 5 5 GLY C C 5 174.567 174.567 174.224 0.343 19682 2063 1 5 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.427 0.758 19682 2064 1 5 . 1 1 5 5 GLY H H 5 8.475 8.475 8.281 0.194 19682 2065 1 5 . 1 1 6 6 GLY N N 6 108.594 108.594 110.405 -1.811 19682 2066 1 5 . 1 1 6 6 GLY C C 6 173.781 173.781 174.555 -0.774 19682 2067 1 5 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.042 -0.059 19682 2068 1 5 . 1 1 6 6 GLY H H 6 8.274 8.274 7.792 0.482 19682 2069 1 5 . 1 1 7 7 SER N N 7 116.558 116.558 119.740 -3.182 19682 2070 1 5 . 1 1 7 7 SER C C 7 172.995 172.995 173.586 -0.591 19682 2071 1 5 . 1 1 7 7 SER CA C 7 56.387 56.387 55.579 0.808 19682 2072 1 5 . 1 1 7 7 SER CB C 7 63.508 63.508 63.696 -0.188 19682 2073 1 5 . 1 1 7 7 SER H H 7 8.220 8.220 8.186 0.034 19682 2074 1 5 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.650 -0.196 19682 2075 1 5 . 1 1 8 8 PRO C C 8 176.864 176.864 176.116 0.748 19682 2076 1 5 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.388 0.961 19682 2077 1 5 . 1 1 8 8 PRO CB C 8 32.010 32.010 31.355 0.655 19682 2078 1 5 . 1 1 9 9 LEU N N 9 121.497 121.497 126.859 -5.362 19682 2079 1 5 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.434 -0.130 19682 2080 1 5 . 1 1 9 9 LEU C C 9 177.237 177.237 176.339 0.898 19682 2081 1 5 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.041 0.982 19682 2082 1 5 . 1 1 9 9 LEU CB C 9 42.353 42.353 40.120 2.233 19682 2083 1 5 . 1 1 9 9 LEU H H 9 8.196 8.196 8.333 -0.137 19682 2084 1 5 . 1 1 10 10 ALA N N 10 124.964 124.964 126.267 -1.303 19682 2085 1 5 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.437 -0.035 19682 2086 1 5 . 1 1 10 10 ALA C C 10 177.812 177.812 177.593 0.219 19682 2087 1 5 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.575 0.833 19682 2088 1 5 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.536 -0.298 19682 2089 1 5 . 1 1 10 10 ALA H H 10 8.242 8.242 7.812 0.430 19682 2090 1 5 . 1 1 11 11 THR N N 11 112.852 112.852 115.661 -2.809 19682 2091 1 5 . 1 1 11 11 THR HA H 11 4.341 4.341 4.277 0.064 19682 2092 1 5 . 1 1 11 11 THR C C 11 175.181 175.181 176.412 -1.231 19682 2093 1 5 . 1 1 11 11 THR CA C 11 61.870 61.870 61.797 0.073 19682 2094 1 5 . 1 1 11 11 THR CB C 11 69.622 69.622 69.560 0.062 19682 2095 1 5 . 1 1 11 11 THR H H 11 8.081 8.081 8.204 -0.123 19682 2096 1 5 . 1 1 12 12 GLY N N 12 110.929 110.929 113.420 -2.491 19682 2097 1 5 . 1 1 12 12 GLY C C 12 174.395 174.395 174.128 0.267 19682 2098 1 5 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.558 0.818 19682 2099 1 5 . 1 1 12 12 GLY H H 12 8.408 8.408 8.638 -0.230 19682 2100 1 5 . 1 1 13 13 THR N N 13 113.482 113.482 120.170 -6.688 19682 2101 1 5 . 1 1 13 13 THR HA H 13 4.445 4.445 4.231 0.214 19682 2102 1 5 . 1 1 13 13 THR C C 13 174.889 174.889 173.827 1.062 19682 2103 1 5 . 1 1 13 13 THR CA C 13 61.816 61.816 63.014 -1.198 19682 2104 1 5 . 1 1 13 13 THR CB C 13 69.812 69.812 68.713 1.099 19682 2105 1 5 . 1 1 13 13 THR H H 13 8.130 8.130 7.747 0.383 19682 2106 1 5 . 1 1 14 14 THR N N 14 116.080 116.080 122.698 -6.618 19682 2107 1 5 . 1 1 14 14 THR HA H 14 4.370 4.370 4.511 -0.141 19682 2108 1 5 . 1 1 14 14 THR C C 14 174.385 174.385 173.577 0.808 19682 2109 1 5 . 1 1 14 14 THR CA C 14 61.788 61.788 62.541 -0.753 19682 2110 1 5 . 1 1 14 14 THR CB C 14 69.696 69.696 70.201 -0.505 19682 2111 1 5 . 1 1 14 14 THR H H 14 8.199 8.199 7.769 0.430 19682 2112 1 5 . 1 1 15 15 ALA N N 15 126.054 126.054 130.042 -3.988 19682 2113 1 5 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.523 -0.222 19682 2114 1 5 . 1 1 15 15 ALA C C 15 177.469 177.469 176.920 0.549 19682 2115 1 5 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.118 0.728 19682 2116 1 5 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.548 -0.364 19682 2117 1 5 . 1 1 15 15 ALA H H 15 8.349 8.349 8.238 0.111 19682 2118 1 5 . 1 1 16 16 ASN N N 16 117.718 117.718 122.112 -4.394 19682 2119 1 5 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.602 0.142 19682 2120 1 5 . 1 1 16 16 ASN C C 16 175.575 175.575 175.033 0.542 19682 2121 1 5 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.349 -0.152 19682 2122 1 5 . 1 1 16 16 ASN CB C 16 38.732 38.732 38.386 0.346 19682 2123 1 5 . 1 1 16 16 ASN H H 16 8.403 8.403 8.294 0.109 19682 2124 1 5 . 1 1 17 17 THR N N 17 114.153 114.153 118.851 -4.698 19682 2125 1 5 . 1 1 17 17 THR HA H 17 4.312 4.312 4.267 0.045 19682 2126 1 5 . 1 1 17 17 THR C C 17 174.799 174.799 173.782 1.017 19682 2127 1 5 . 1 1 17 17 THR CA C 17 61.973 61.973 62.794 -0.821 19682 2128 1 5 . 1 1 17 17 THR CB C 17 69.624 69.624 69.436 0.188 19682 2129 1 5 . 1 1 17 17 THR H H 17 8.081 8.081 8.207 -0.126 19682 2130 1 5 . 1 1 18 18 ARG N N 18 122.990 122.990 124.844 -1.854 19682 2131 1 5 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.739 -0.414 19682 2132 1 5 . 1 1 18 18 ARG C C 18 176.875 176.875 174.200 2.675 19682 2133 1 5 . 1 1 18 18 ARG CA C 18 56.551 56.551 54.959 1.592 19682 2134 1 5 . 1 1 18 18 ARG CB C 18 30.587 30.587 30.999 -0.412 19682 2135 1 5 . 1 1 18 18 ARG H H 18 8.351 8.351 8.694 -0.343 19682 2136 1 5 . 1 1 19 19 GLY N N 19 109.993 109.993 108.663 1.330 19682 2137 1 5 . 1 1 19 19 GLY C C 19 174.002 174.002 172.925 1.077 19682 2138 1 5 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.163 0.151 19682 2139 1 5 . 1 1 19 19 GLY H H 19 8.394 8.394 8.193 0.201 19682 2140 1 5 . 1 1 20 20 ALA N N 20 123.732 123.732 127.059 -3.327 19682 2141 1 5 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.741 -0.399 19682 2142 1 5 . 1 1 20 20 ALA C C 20 178.034 178.034 176.711 1.323 19682 2143 1 5 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.105 0.545 19682 2144 1 5 . 1 1 20 20 ALA CB C 20 19.221 19.221 20.494 -1.273 19682 2145 1 5 . 1 1 20 20 ALA H H 20 8.185 8.185 8.198 -0.013 19682 2146 1 5 . 1 1 21 21 SER N N 21 114.750 114.750 117.896 -3.146 19682 2147 1 5 . 1 1 21 21 SER HA H 21 4.419 4.419 4.569 -0.150 19682 2148 1 5 . 1 1 21 21 SER C C 21 174.627 174.627 173.839 0.788 19682 2149 1 5 . 1 1 21 21 SER CA C 21 58.495 58.495 58.121 0.374 19682 2150 1 5 . 1 1 21 21 SER CB C 21 63.697 63.697 63.766 -0.069 19682 2151 1 5 . 1 1 21 21 SER H H 21 8.319 8.319 8.461 -0.142 19682 2152 1 5 . 1 1 22 22 GLN N N 22 122.092 122.092 123.200 -1.108 19682 2153 1 5 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.313 0.031 19682 2154 1 5 . 1 1 22 22 GLN C C 22 175.857 175.857 175.873 -0.016 19682 2155 1 5 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.720 0.055 19682 2156 1 5 . 1 1 22 22 GLN CB C 22 29.398 29.398 27.361 2.037 19682 2157 1 5 . 1 1 22 22 GLN H H 22 8.343 8.343 8.400 -0.057 19682 2158 1 5 . 1 1 23 23 LYS N N 23 122.663 122.663 124.428 -1.765 19682 2159 1 5 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.092 0.205 19682 2160 1 5 . 1 1 23 23 LYS C C 23 176.502 176.502 176.701 -0.199 19682 2161 1 5 . 1 1 23 23 LYS CA C 23 56.315 56.315 57.254 -0.939 19682 2162 1 5 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.835 0.213 19682 2163 1 5 . 1 1 23 23 LYS H H 23 8.309 8.309 8.400 -0.091 19682 2164 1 5 . 1 1 24 24 LYS N N 24 123.434 123.434 117.982 5.452 19682 2165 1 5 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.071 0.255 19682 2166 1 5 . 1 1 24 24 LYS C C 24 177.026 177.026 176.429 0.597 19682 2167 1 5 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.177 0.182 19682 2168 1 5 . 1 1 24 24 LYS CB C 24 32.993 32.993 31.950 1.043 19682 2169 1 5 . 1 1 24 24 LYS H H 24 8.469 8.469 8.187 0.282 19682 2170 1 5 . 1 1 25 25 GLY N N 25 110.813 110.813 107.931 2.882 19682 2171 1 5 . 1 1 25 25 GLY C C 25 174.476 174.476 174.894 -0.418 19682 2172 1 5 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.718 0.556 19682 2173 1 5 . 1 1 25 25 GLY H H 25 8.531 8.531 8.375 0.156 19682 2174 1 5 . 1 1 26 26 GLY N N 26 108.690 108.690 108.279 0.411 19682 2175 1 5 . 1 1 26 26 GLY C C 26 173.851 173.851 174.199 -0.348 19682 2176 1 5 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.201 -0.132 19682 2177 1 5 . 1 1 26 26 GLY H H 26 8.279 8.279 8.151 0.128 19682 2178 1 5 . 1 1 27 27 GLU N N 27 121.707 121.707 120.558 1.149 19682 2179 1 5 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.450 0.134 19682 2180 1 5 . 1 1 27 27 GLU C C 27 174.204 174.204 174.980 -0.776 19682 2181 1 5 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.172 0.268 19682 2182 1 5 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.956 -0.519 19682 2183 1 5 . 1 1 27 27 GLU H H 27 8.321 8.321 8.219 0.102 19682 2184 1 5 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.486 -0.092 19682 2185 1 5 . 1 1 28 28 PRO CA C 28 62.811 62.811 62.136 0.675 19682 2186 1 5 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.274 0.884 19682 2187 1 5 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.410 -0.013 19682 2188 1 5 . 1 1 29 29 PRO C C 29 176.462 176.462 176.227 0.235 19682 2189 1 5 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.729 0.115 19682 2190 1 5 . 1 1 29 29 PRO CB C 29 31.961 31.961 32.085 -0.124 19682 2191 1 5 . 1 1 30 30 ALA N N 30 123.850 123.850 128.476 -4.626 19682 2192 1 5 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.409 -0.135 19682 2193 1 5 . 1 1 30 30 ALA C C 30 177.368 177.368 177.792 -0.424 19682 2194 1 5 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.972 0.285 19682 2195 1 5 . 1 1 30 30 ALA CB C 30 19.237 19.237 18.528 0.709 19682 2196 1 5 . 1 1 30 30 ALA H H 30 8.290 8.290 8.463 -0.173 19682 2197 1 5 . 1 1 31 31 LEU N N 31 121.430 121.430 123.767 -2.337 19682 2198 1 5 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.295 0.038 19682 2199 1 5 . 1 1 31 31 LEU C C 31 176.804 176.804 177.921 -1.117 19682 2200 1 5 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.704 0.311 19682 2201 1 5 . 1 1 31 31 LEU CB C 31 42.444 42.444 41.703 0.741 19682 2202 1 5 . 1 1 31 31 LEU H H 31 8.139 8.139 8.113 0.026 19682 2203 1 5 . 1 1 32 32 ILE N N 32 123.070 123.070 115.434 7.636 19682 2204 1 5 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.987 0.181 19682 2205 1 5 . 1 1 32 32 ILE C C 32 175.887 175.887 176.758 -0.871 19682 2206 1 5 . 1 1 32 32 ILE CA C 32 60.690 60.690 62.337 -1.647 19682 2207 1 5 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.031 1.446 19682 2208 1 5 . 1 1 32 32 ILE H H 32 8.140 8.140 7.808 0.332 19682 2209 1 5 . 1 1 33 33 VAL N N 33 124.923 124.923 115.994 8.929 19682 2210 1 5 . 1 1 33 33 VAL HA H 33 4.087 4.087 3.849 0.238 19682 2211 1 5 . 1 1 33 33 VAL C C 33 175.232 175.232 176.161 -0.929 19682 2212 1 5 . 1 1 33 33 VAL CA C 33 61.851 61.851 63.256 -1.405 19682 2213 1 5 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.479 1.441 19682 2214 1 5 . 1 1 33 33 VAL H H 33 8.198 8.198 7.609 0.589 19682 2215 1 5 . 1 1 34 34 ASP N N 34 125.813 125.813 119.064 6.749 19682 2216 1 5 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.920 -0.060 19682 2217 1 5 . 1 1 34 34 ASP C C 34 174.919 174.919 174.882 0.037 19682 2218 1 5 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.458 -0.532 19682 2219 1 5 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.180 -0.676 19682 2220 1 5 . 1 1 34 34 ASP H H 34 8.336 8.336 7.466 0.870 19682 2221 1 5 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.641 -0.277 19682 2222 1 5 . 1 1 35 35 PRO C C 35 177.091 177.091 176.488 0.603 19682 2223 1 5 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.511 0.003 19682 2224 1 5 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.164 0.009 19682 2225 1 5 . 1 1 36 36 LEU N N 36 119.977 119.977 118.155 1.822 19682 2226 1 5 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.512 -0.256 19682 2227 1 5 . 1 1 36 36 LEU C C 36 177.479 177.479 177.299 0.180 19682 2228 1 5 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.693 0.533 19682 2229 1 5 . 1 1 36 36 LEU CB C 36 41.635 41.635 43.197 -1.562 19682 2230 1 5 . 1 1 36 36 LEU H H 36 8.316 8.316 7.587 0.729 19682 2231 1 5 . 1 1 37 37 MET N N 37 120.231 120.231 115.494 4.737 19682 2232 1 5 . 1 1 37 37 MET HA H 37 4.326 4.326 4.220 0.106 19682 2233 1 5 . 1 1 37 37 MET C C 37 175.171 175.171 174.999 0.172 19682 2234 1 5 . 1 1 37 37 MET CA C 37 55.160 55.160 56.952 -1.792 19682 2235 1 5 . 1 1 37 37 MET CB C 37 32.514 32.514 31.469 1.045 19682 2236 1 5 . 1 1 37 37 MET H H 37 7.893 7.893 7.976 -0.083 19682 2237 1 5 . 1 1 38 38 LYS N N 38 122.361 122.361 115.943 6.418 19682 2238 1 5 . 1 1 38 38 LYS HA H 38 4.160 4.160 3.989 0.171 19682 2239 1 5 . 1 1 38 38 LYS C C 38 175.837 175.837 176.096 -0.259 19682 2240 1 5 . 1 1 38 38 LYS CA C 38 56.105 56.105 57.420 -1.315 19682 2241 1 5 . 1 1 38 38 LYS CB C 38 33.214 33.214 31.643 1.571 19682 2242 1 5 . 1 1 38 38 LYS H H 38 7.929 7.929 7.571 0.358 19682 2243 1 5 . 1 1 39 39 TYR N N 39 120.347 120.347 118.179 2.168 19682 2244 1 5 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.435 0.135 19682 2245 1 5 . 1 1 39 39 TYR C C 39 174.325 174.325 175.626 -1.301 19682 2246 1 5 . 1 1 39 39 TYR CA C 39 57.424 57.424 57.901 -0.478 19682 2247 1 5 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.264 1.345 19682 2248 1 5 . 1 1 39 39 TYR H H 39 8.020 8.020 8.499 -0.479 19682 2249 1 5 . 1 1 40 40 ILE N N 40 119.688 119.688 115.022 4.666 19682 2250 1 5 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.184 -0.209 19682 2251 1 5 . 1 1 40 40 ILE C C 40 175.181 175.181 175.945 -0.764 19682 2252 1 5 . 1 1 40 40 ILE CA C 40 58.580 58.580 58.873 -0.293 19682 2253 1 5 . 1 1 40 40 ILE CB C 40 39.694 39.694 38.695 0.999 19682 2254 1 5 . 1 1 40 40 ILE H H 40 8.000 8.000 7.277 0.723 19682 2255 1 5 . 1 1 41 41 CYS N N 41 129.049 129.049 123.652 5.397 19682 2256 1 5 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.316 -0.344 19682 2257 1 5 . 1 1 41 41 CYS C C 41 177.197 177.197 176.349 0.848 19682 2258 1 5 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.873 0.184 19682 2259 1 5 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.370 6.004 19682 2260 1 5 . 1 1 41 41 CYS H H 41 7.990 7.990 8.749 -0.759 19682 2261 1 5 . 1 1 42 42 HIS N N 42 127.633 127.633 128.819 -1.186 19682 2262 1 5 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.279 -0.147 19682 2263 1 5 . 1 1 42 42 HIS C C 42 174.385 174.385 175.818 -1.433 19682 2264 1 5 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.895 0.097 19682 2265 1 5 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.933 -1.232 19682 2266 1 5 . 1 1 42 42 HIS H H 42 8.933 8.933 8.636 0.297 19682 2267 1 5 . 1 1 43 43 ILE N N 43 119.482 119.482 118.595 0.887 19682 2268 1 5 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.046 0.119 19682 2269 1 5 . 1 1 43 43 ILE C C 43 176.673 176.673 176.692 -0.019 19682 2270 1 5 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.694 -0.572 19682 2271 1 5 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.979 -0.645 19682 2272 1 5 . 1 1 43 43 ILE H H 43 8.944 8.944 8.188 0.756 19682 2273 1 5 . 1 1 44 44 CYS N N 44 117.996 117.996 117.421 0.575 19682 2274 1 5 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.542 0.342 19682 2275 1 5 . 1 1 44 44 CYS C C 44 176.008 176.008 176.598 -0.590 19682 2276 1 5 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.951 -0.950 19682 2277 1 5 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.694 2.361 19682 2278 1 5 . 1 1 44 44 CYS H H 44 8.221 8.221 8.227 -0.006 19682 2279 1 5 . 1 1 45 45 ASN N N 45 117.410 117.410 117.039 0.371 19682 2280 1 5 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.379 0.008 19682 2281 1 5 . 1 1 45 45 ASN C C 45 173.893 173.893 175.659 -1.766 19682 2282 1 5 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.564 -0.550 19682 2283 1 5 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.210 0.644 19682 2284 1 5 . 1 1 45 45 ASN H H 45 8.040 8.040 8.856 -0.816 19682 2285 1 5 . 1 1 46 46 ARG N N 46 117.127 117.127 122.450 -5.323 19682 2286 1 5 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.222 0.498 19682 2287 1 5 . 1 1 46 46 ARG C C 46 176.865 176.865 176.923 -0.058 19682 2288 1 5 . 1 1 46 46 ARG CA C 46 55.427 55.427 58.370 -2.943 19682 2289 1 5 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.570 3.582 19682 2290 1 5 . 1 1 46 46 ARG H H 46 8.201 8.201 7.849 0.352 19682 2291 1 5 . 1 1 47 47 GLY N N 47 109.334 109.334 106.285 3.049 19682 2292 1 5 . 1 1 47 47 GLY C C 47 173.670 173.670 173.467 0.203 19682 2293 1 5 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.857 0.160 19682 2294 1 5 . 1 1 47 47 GLY H H 47 8.902 8.902 8.512 0.390 19682 2295 1 5 . 1 1 48 48 ASP N N 48 117.908 117.908 118.717 -0.809 19682 2296 1 5 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.757 -0.057 19682 2297 1 5 . 1 1 48 48 ASP C C 48 173.871 173.871 176.492 -2.621 19682 2298 1 5 . 1 1 48 48 ASP CA C 48 52.409 52.409 52.844 -0.436 19682 2299 1 5 . 1 1 48 48 ASP CB C 48 40.859 40.859 42.265 -1.406 19682 2300 1 5 . 1 1 48 48 ASP H H 48 8.046 8.046 7.934 0.112 19682 2301 1 5 . 1 1 49 49 VAL N N 49 117.921 117.921 117.593 0.328 19682 2302 1 5 . 1 1 49 49 VAL HA H 49 3.703 3.703 3.757 -0.054 19682 2303 1 5 . 1 1 49 49 VAL C C 49 177.096 177.096 175.993 1.103 19682 2304 1 5 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.903 -0.412 19682 2305 1 5 . 1 1 49 49 VAL CB C 49 29.423 29.423 31.039 -1.616 19682 2306 1 5 . 1 1 49 49 VAL H H 49 8.772 8.772 8.599 0.173 19682 2307 1 5 . 1 1 50 50 GLU N N 50 120.434 120.434 123.001 -2.567 19682 2308 1 5 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.116 -0.284 19682 2309 1 5 . 1 1 50 50 GLU C C 50 178.779 178.779 177.930 0.849 19682 2310 1 5 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.759 1.161 19682 2311 1 5 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.079 0.058 19682 2312 1 5 . 1 1 50 50 GLU H H 50 9.047 9.047 8.935 0.112 19682 2313 1 5 . 1 1 51 51 GLU N N 51 119.158 119.158 117.644 1.514 19682 2314 1 5 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.205 0.102 19682 2315 1 5 . 1 1 51 51 GLU C C 51 177.358 177.358 176.885 0.473 19682 2316 1 5 . 1 1 51 51 GLU CA C 51 58.256 58.256 57.694 0.562 19682 2317 1 5 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.424 -1.199 19682 2318 1 5 . 1 1 51 51 GLU H H 51 9.822 9.822 8.489 1.333 19682 2319 1 5 . 1 1 52 52 SER N N 52 116.430 116.430 113.559 2.871 19682 2320 1 5 . 1 1 52 52 SER HA H 52 4.716 4.716 4.699 0.017 19682 2321 1 5 . 1 1 52 52 SER C C 52 172.309 172.309 173.404 -1.095 19682 2322 1 5 . 1 1 52 52 SER CA C 52 57.745 57.745 58.387 -0.642 19682 2323 1 5 . 1 1 52 52 SER CB C 52 64.494 64.494 64.123 0.372 19682 2324 1 5 . 1 1 52 52 SER H H 52 8.291 8.291 7.620 0.671 19682 2325 1 5 . 1 1 53 53 MET N N 53 121.812 121.812 122.505 -0.693 19682 2326 1 5 . 1 1 53 53 MET HA H 53 4.577 4.577 4.138 0.439 19682 2327 1 5 . 1 1 53 53 MET C C 53 174.385 174.385 175.097 -0.712 19682 2328 1 5 . 1 1 53 53 MET CA C 53 54.784 54.784 55.549 -0.765 19682 2329 1 5 . 1 1 53 53 MET CB C 53 33.410 33.410 32.359 1.051 19682 2330 1 5 . 1 1 53 53 MET H H 53 7.648 7.648 7.321 0.327 19682 2331 1 5 . 1 1 54 54 LEU N N 54 128.167 128.167 125.833 2.334 19682 2332 1 5 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.406 -0.158 19682 2333 1 5 . 1 1 54 54 LEU C C 54 175.111 175.111 175.772 -0.661 19682 2334 1 5 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.591 0.032 19682 2335 1 5 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.678 1.081 19682 2336 1 5 . 1 1 54 54 LEU H H 54 9.007 9.007 8.559 0.448 19682 2337 1 5 . 1 1 55 55 LEU N N 55 122.173 122.173 124.695 -2.522 19682 2338 1 5 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.747 0.058 19682 2339 1 5 . 1 1 55 55 LEU C C 55 176.260 176.260 176.408 -0.148 19682 2340 1 5 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.409 -0.162 19682 2341 1 5 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.056 0.217 19682 2342 1 5 . 1 1 55 55 LEU H H 55 8.139 8.139 8.309 -0.171 19682 2343 1 5 . 1 1 56 56 CYS N N 56 126.541 126.541 128.318 -1.777 19682 2344 1 5 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.689 0.037 19682 2345 1 5 . 1 1 56 56 CYS C C 56 177.671 177.671 176.526 1.145 19682 2346 1 5 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.898 1.322 19682 2347 1 5 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.049 4.034 19682 2348 1 5 . 1 1 56 56 CYS H H 56 8.996 8.996 8.731 0.265 19682 2349 1 5 . 1 1 57 57 ASP N N 57 130.338 130.338 129.164 1.174 19682 2350 1 5 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.487 0.180 19682 2351 1 5 . 1 1 57 57 ASP C C 57 176.159 176.159 176.790 -0.631 19682 2352 1 5 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.042 1.415 19682 2353 1 5 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.079 1.122 19682 2354 1 5 . 1 1 57 57 ASP H H 57 9.373 9.373 8.606 0.767 19682 2355 1 5 . 1 1 58 58 GLY N N 58 114.137 114.137 106.430 7.707 19682 2356 1 5 . 1 1 58 58 GLY C C 58 174.801 174.801 173.402 1.399 19682 2357 1 5 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.675 1.307 19682 2358 1 5 . 1 1 58 58 GLY H H 58 10.023 10.023 7.684 2.339 19682 2359 1 5 . 1 1 59 59 CYS N N 59 120.775 120.775 117.225 3.550 19682 2360 1 5 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.709 0.182 19682 2361 1 5 . 1 1 59 59 CYS C C 59 175.564 175.564 172.503 3.061 19682 2362 1 5 . 1 1 59 59 CYS CA C 59 58.741 58.741 58.179 0.562 19682 2363 1 5 . 1 1 59 59 CYS CB C 59 33.079 33.079 30.745 2.334 19682 2364 1 5 . 1 1 59 59 CYS H H 59 8.132 8.132 7.587 0.545 19682 2365 1 5 . 1 1 60 60 ASP N N 60 119.232 119.232 121.946 -2.714 19682 2366 1 5 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.882 -0.193 19682 2367 1 5 . 1 1 60 60 ASP C C 60 174.738 174.738 174.615 0.123 19682 2368 1 5 . 1 1 60 60 ASP CA C 60 56.465 56.465 53.891 2.574 19682 2369 1 5 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.458 -0.417 19682 2370 1 5 . 1 1 60 60 ASP H H 60 8.085 8.085 8.602 -0.517 19682 2371 1 5 . 1 1 61 61 ASP N N 61 121.704 121.704 118.055 3.649 19682 2372 1 5 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.767 0.082 19682 2373 1 5 . 1 1 61 61 ASP C C 61 175.454 175.454 174.288 1.166 19682 2374 1 5 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.481 2.012 19682 2375 1 5 . 1 1 61 61 ASP CB C 61 42.194 42.194 44.680 -2.486 19682 2376 1 5 . 1 1 61 61 ASP H H 61 8.703 8.703 7.940 0.763 19682 2377 1 5 . 1 1 62 62 SER N N 62 113.381 113.381 115.145 -1.764 19682 2378 1 5 . 1 1 62 62 SER HA H 62 5.703 5.703 5.449 0.254 19682 2379 1 5 . 1 1 62 62 SER C C 62 173.821 173.821 172.519 1.302 19682 2380 1 5 . 1 1 62 62 SER CA C 62 56.165 56.165 56.286 -0.121 19682 2381 1 5 . 1 1 62 62 SER CB C 62 65.275 65.275 65.474 -0.199 19682 2382 1 5 . 1 1 62 62 SER H H 62 8.313 8.313 7.937 0.376 19682 2383 1 5 . 1 1 63 63 TYR N N 63 120.467 120.467 121.598 -1.131 19682 2384 1 5 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.686 0.665 19682 2385 1 5 . 1 1 63 63 TYR C C 63 175.393 175.393 175.194 0.199 19682 2386 1 5 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.741 -0.054 19682 2387 1 5 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.409 1.917 19682 2388 1 5 . 1 1 63 63 TYR H H 63 8.815 8.815 8.747 0.068 19682 2389 1 5 . 1 1 64 64 HIS N N 64 121.957 121.957 121.826 0.131 19682 2390 1 5 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.113 -0.263 19682 2391 1 5 . 1 1 64 64 HIS C C 64 178.559 178.559 177.035 1.524 19682 2392 1 5 . 1 1 64 64 HIS CA C 64 57.490 57.490 56.080 1.410 19682 2393 1 5 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.254 0.782 19682 2394 1 5 . 1 1 64 64 HIS H H 64 9.276 9.276 7.923 1.353 19682 2395 1 5 . 1 1 65 65 THR N N 65 113.100 113.100 115.289 -2.189 19682 2396 1 5 . 1 1 65 65 THR HA H 65 3.603 3.603 3.826 -0.223 19682 2397 1 5 . 1 1 65 65 THR C C 65 176.824 176.824 176.305 0.519 19682 2398 1 5 . 1 1 65 65 THR CA C 65 64.805 64.805 65.867 -1.062 19682 2399 1 5 . 1 1 65 65 THR CB C 65 66.441 66.441 68.882 -2.441 19682 2400 1 5 . 1 1 65 65 THR H H 65 8.832 8.832 7.869 0.963 19682 2401 1 5 . 1 1 66 66 PHE N N 66 111.288 111.288 117.835 -6.547 19682 2402 1 5 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.681 0.044 19682 2403 1 5 . 1 1 66 66 PHE C C 66 176.846 176.846 176.696 0.150 19682 2404 1 5 . 1 1 66 66 PHE CA C 66 56.215 56.215 58.998 -2.783 19682 2405 1 5 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.483 -0.053 19682 2406 1 5 . 1 1 66 66 PHE H H 66 6.541 6.541 7.679 -1.138 19682 2407 1 5 . 1 1 67 67 CYS N N 67 123.228 123.228 117.416 5.812 19682 2408 1 5 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.435 0.058 19682 2409 1 5 . 1 1 67 67 CYS C C 67 174.627 174.627 175.168 -0.541 19682 2410 1 5 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.484 1.652 19682 2411 1 5 . 1 1 67 67 CYS CB C 67 30.603 30.603 25.882 4.721 19682 2412 1 5 . 1 1 67 67 CYS H H 67 7.384 7.384 7.857 -0.473 19682 2413 1 5 . 1 1 68 68 LEU N N 68 119.645 119.645 118.734 0.911 19682 2414 1 5 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.724 -0.597 19682 2415 1 5 . 1 1 68 68 LEU C C 68 174.738 174.738 175.002 -0.264 19682 2416 1 5 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.544 1.467 19682 2417 1 5 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.800 -0.677 19682 2418 1 5 . 1 1 68 68 LEU H H 68 6.514 6.514 7.436 -0.922 19682 2419 1 5 . 1 1 69 69 LEU N N 69 119.803 119.803 117.941 1.862 19682 2420 1 5 . 1 1 69 69 LEU HA H 69 4.683 4.683 5.072 -0.389 19682 2421 1 5 . 1 1 69 69 LEU C C 69 174.879 174.879 175.342 -0.463 19682 2422 1 5 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.213 -0.996 19682 2423 1 5 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.901 2.434 19682 2424 1 5 . 1 1 69 69 LEU H H 69 8.050 8.050 8.101 -0.051 19682 2425 1 5 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.701 0.333 19682 2426 1 5 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.512 0.533 19682 2427 1 5 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.490 1.543 19682 2428 1 5 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.687 -0.239 19682 2429 1 5 . 1 1 71 71 PRO C C 71 177.632 177.632 176.672 0.960 19682 2430 1 5 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.626 0.362 19682 2431 1 5 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.513 -0.384 19682 2432 1 5 . 1 1 72 72 LEU N N 72 121.033 121.033 124.060 -3.027 19682 2433 1 5 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.568 0.078 19682 2434 1 5 . 1 1 72 72 LEU C C 72 177.983 177.983 178.174 -0.191 19682 2435 1 5 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.207 -0.170 19682 2436 1 5 . 1 1 72 72 LEU CB C 72 43.384 43.384 42.122 1.262 19682 2437 1 5 . 1 1 72 72 LEU H H 72 7.660 7.660 7.968 -0.308 19682 2438 1 5 . 1 1 73 73 THR N N 73 112.645 112.645 113.827 -1.182 19682 2439 1 5 . 1 1 73 73 THR HA H 73 4.289 4.289 4.291 -0.002 19682 2440 1 5 . 1 1 73 73 THR C C 73 174.305 174.305 174.986 -0.681 19682 2441 1 5 . 1 1 73 73 THR CA C 73 62.324 62.324 63.538 -1.214 19682 2442 1 5 . 1 1 73 73 THR CB C 73 69.019 69.019 69.381 -0.362 19682 2443 1 5 . 1 1 73 73 THR H H 73 8.694 8.694 8.530 0.164 19682 2444 1 5 . 1 1 74 74 SER N N 74 114.234 114.234 115.473 -1.239 19682 2445 1 5 . 1 1 74 74 SER HA H 74 4.584 4.584 4.584 -0.000 19682 2446 1 5 . 1 1 74 74 SER C C 74 172.833 172.833 172.751 0.082 19682 2447 1 5 . 1 1 74 74 SER CA C 74 56.827 56.827 57.505 -0.678 19682 2448 1 5 . 1 1 74 74 SER CB C 74 64.678 64.678 65.415 -0.737 19682 2449 1 5 . 1 1 74 74 SER H H 74 7.503 7.503 7.520 -0.017 19682 2450 1 5 . 1 1 75 75 ILE N N 75 123.720 123.720 122.832 0.888 19682 2451 1 5 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.235 -0.156 19682 2452 1 5 . 1 1 75 75 ILE C C 75 174.819 174.819 174.692 0.127 19682 2453 1 5 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.137 -0.529 19682 2454 1 5 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.972 -0.184 19682 2455 1 5 . 1 1 75 75 ILE H H 75 8.498 8.498 8.268 0.230 19682 2456 1 5 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.479 -0.071 19682 2457 1 5 . 1 1 76 76 PRO C C 76 176.339 176.339 177.013 -0.674 19682 2458 1 5 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.918 0.086 19682 2459 1 5 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.391 0.745 19682 2460 1 5 . 1 1 77 77 LYS N N 77 121.662 121.662 124.640 -2.978 19682 2461 1 5 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.854 0.481 19682 2462 1 5 . 1 1 77 77 LYS C C 77 177.278 177.278 176.004 1.274 19682 2463 1 5 . 1 1 77 77 LYS CA C 77 56.298 56.298 58.314 -2.016 19682 2464 1 5 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.599 1.178 19682 2465 1 5 . 1 1 77 77 LYS H H 77 8.516 8.516 8.666 -0.150 19682 2466 1 5 . 1 1 78 78 GLY N N 78 110.250 110.250 107.049 3.201 19682 2467 1 5 . 1 1 78 78 GLY C C 78 172.995 172.995 173.324 -0.329 19682 2468 1 5 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.840 -0.294 19682 2469 1 5 . 1 1 78 78 GLY H H 78 8.150 8.150 8.096 0.054 19682 2470 1 5 . 1 1 79 79 GLU N N 79 121.820 121.820 123.313 -1.493 19682 2471 1 5 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.350 0.019 19682 2472 1 5 . 1 1 79 79 GLU C C 79 175.847 175.847 175.192 0.655 19682 2473 1 5 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.017 0.960 19682 2474 1 5 . 1 1 79 79 GLU CB C 79 30.638 30.638 28.790 1.848 19682 2475 1 5 . 1 1 79 79 GLU H H 79 8.342 8.342 8.570 -0.228 19682 2476 1 5 . 1 1 80 80 TRP N N 80 126.690 126.690 126.184 0.506 19682 2477 1 5 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.881 -0.367 19682 2478 1 5 . 1 1 80 80 TRP C C 80 172.733 172.733 174.175 -1.442 19682 2479 1 5 . 1 1 80 80 TRP CA C 80 59.568 59.568 57.103 2.465 19682 2480 1 5 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.017 -0.608 19682 2481 1 5 . 1 1 80 80 TRP H H 80 9.370 9.370 8.028 1.342 19682 2482 1 5 . 1 1 81 81 LEU N N 81 125.572 125.572 127.156 -1.584 19682 2483 1 5 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.223 0.798 19682 2484 1 5 . 1 1 81 81 LEU C C 81 174.617 174.617 175.628 -1.011 19682 2485 1 5 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.388 -0.954 19682 2486 1 5 . 1 1 81 81 LEU CB C 81 44.860 44.860 44.374 0.486 19682 2487 1 5 . 1 1 81 81 LEU H H 81 6.540 6.540 7.733 -1.193 19682 2488 1 5 . 1 1 82 82 CYS N N 82 125.868 125.868 119.905 5.963 19682 2489 1 5 . 1 1 82 82 CYS HA H 82 3.529 3.529 4.083 -0.554 19682 2490 1 5 . 1 1 82 82 CYS C C 82 172.652 172.652 175.489 -2.837 19682 2491 1 5 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.477 1.085 19682 2492 1 5 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.715 2.829 19682 2493 1 5 . 1 1 82 82 CYS H H 82 9.086 9.086 8.110 0.976 19682 2494 1 5 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.063 0.005 19682 2495 1 5 . 1 1 83 83 PRO C C 83 178.541 178.541 178.661 -0.120 19682 2496 1 5 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.138 0.129 19682 2497 1 5 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.828 0.382 19682 2498 1 5 . 1 1 84 84 ARG N N 84 117.140 117.140 117.540 -0.400 19682 2499 1 5 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.198 -0.001 19682 2500 1 5 . 1 1 84 84 ARG C C 84 177.983 177.983 178.241 -0.258 19682 2501 1 5 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.898 -0.361 19682 2502 1 5 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.617 1.198 19682 2503 1 5 . 1 1 84 84 ARG H H 84 8.041 8.041 8.275 -0.234 19682 2504 1 5 . 1 1 85 85 CYS N N 85 123.417 123.417 117.648 5.769 19682 2505 1 5 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.171 -0.268 19682 2506 1 5 . 1 1 85 85 CYS C C 85 177.298 177.298 176.532 0.766 19682 2507 1 5 . 1 1 85 85 CYS CA C 85 64.168 64.168 62.188 1.980 19682 2508 1 5 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.009 4.029 19682 2509 1 5 . 1 1 85 85 CYS H H 85 8.210 8.210 7.414 0.796 19682 2510 1 5 . 1 1 86 86 VAL N N 86 118.037 118.037 119.370 -1.333 19682 2511 1 5 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.683 -0.043 19682 2512 1 5 . 1 1 86 86 VAL C C 86 176.623 176.623 177.463 -0.840 19682 2513 1 5 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.111 -0.603 19682 2514 1 5 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.755 0.047 19682 2515 1 5 . 1 1 86 86 VAL H H 86 7.951 7.951 7.395 0.556 19682 2516 1 5 . 1 1 87 87 VAL N N 87 119.227 119.227 116.965 2.262 19682 2517 1 5 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.913 0.063 19682 2518 1 5 . 1 1 87 87 VAL C C 87 176.774 176.774 176.161 0.613 19682 2519 1 5 . 1 1 87 87 VAL CA C 87 63.182 63.182 63.206 -0.024 19682 2520 1 5 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.795 0.415 19682 2521 1 5 . 1 1 87 87 VAL H H 87 7.255 7.255 7.103 0.152 19682 2522 1 5 . 1 1 88 88 GLU N N 88 122.469 122.469 119.669 2.800 19682 2523 1 5 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.098 0.101 19682 2524 1 5 . 1 1 88 88 GLU C C 88 176.623 176.623 176.801 -0.178 19682 2525 1 5 . 1 1 88 88 GLU CA C 88 56.950 56.950 57.185 -0.235 19682 2526 1 5 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.012 0.078 19682 2527 1 5 . 1 1 88 88 GLU H H 88 7.986 7.986 7.512 0.474 19682 2528 1 5 . 1 1 89 89 GLU N N 89 121.343 121.343 124.067 -2.724 19682 2529 1 5 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.161 0.028 19682 2530 1 5 . 1 1 89 89 GLU C C 89 176.744 176.744 177.085 -0.341 19682 2531 1 5 . 1 1 89 89 GLU CA C 89 56.956 56.956 58.361 -1.405 19682 2532 1 5 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.913 -0.001 19682 2533 1 5 . 1 1 89 89 GLU H H 89 8.168 8.168 8.614 -0.446 19682 2534 1 5 . 1 1 90 90 VAL N N 90 120.127 120.127 120.685 -0.558 19682 2535 1 5 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.119 -0.035 19682 2536 1 5 . 1 1 90 90 VAL C C 90 176.290 176.290 176.173 0.117 19682 2537 1 5 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.146 0.446 19682 2538 1 5 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.383 1.144 19682 2539 1 5 . 1 1 90 90 VAL H H 90 8.027 8.027 8.219 -0.192 19682 2540 1 5 . 1 1 91 91 SER N N 91 118.678 118.678 122.275 -3.597 19682 2541 1 5 . 1 1 91 91 SER HA H 91 4.439 4.439 4.428 0.011 19682 2542 1 5 . 1 1 91 91 SER C C 91 173.932 173.932 174.614 -0.682 19682 2543 1 5 . 1 1 91 91 SER CA C 91 58.189 58.189 60.011 -1.822 19682 2544 1 5 . 1 1 91 91 SER CB C 91 63.706 63.706 64.034 -0.328 19682 2545 1 5 . 1 1 91 91 SER H H 91 8.222 8.222 8.692 -0.470 19682 2546 1 5 . 1 1 92 92 LYS N N 92 124.547 124.547 121.462 3.085 19682 2547 1 5 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.684 -0.077 19682 2548 1 5 . 1 1 92 92 LYS C C 92 174.395 174.395 173.674 0.721 19682 2549 1 5 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.220 0.052 19682 2550 1 5 . 1 1 92 92 LYS CB C 92 32.646 32.646 34.251 -1.605 19682 2551 1 5 . 1 1 92 92 LYS H H 92 8.165 8.165 7.804 0.361 19682 2552 1 5 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.356 0.063 19682 2553 1 5 . 1 1 93 93 PRO C C 93 176.194 176.194 176.048 0.146 19682 2554 1 5 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.347 0.071 19682 2555 1 5 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.137 -0.241 19682 2556 1 6 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.827 -0.077 19682 2557 1 6 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.864 -0.572 19682 2558 1 6 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.391 0.167 19682 2559 1 6 . 1 1 2 2 HIS H H 2 8.134 8.134 8.533 -0.399 19682 2560 1 6 . 1 1 3 3 MET N N 3 123.164 123.164 124.942 -1.778 19682 2561 1 6 . 1 1 3 3 MET HA H 3 4.494 4.494 4.628 -0.134 19682 2562 1 6 . 1 1 3 3 MET C C 3 176.078 176.078 175.846 0.232 19682 2563 1 6 . 1 1 3 3 MET CA C 3 55.504 55.504 54.558 0.946 19682 2564 1 6 . 1 1 3 3 MET CB C 3 32.860 32.860 32.427 0.433 19682 2565 1 6 . 1 1 3 3 MET H H 3 8.419 8.419 8.260 0.159 19682 2566 1 6 . 1 1 4 4 SER N N 4 117.403 117.403 116.035 1.368 19682 2567 1 6 . 1 1 4 4 SER HA H 4 4.439 4.439 4.209 0.230 19682 2568 1 6 . 1 1 4 4 SER C C 4 175.011 175.011 176.163 -1.152 19682 2569 1 6 . 1 1 4 4 SER CA C 4 58.516 58.516 58.834 -0.318 19682 2570 1 6 . 1 1 4 4 SER CB C 4 63.773 63.773 63.116 0.657 19682 2571 1 6 . 1 1 4 4 SER H H 4 8.416 8.416 7.492 0.924 19682 2572 1 6 . 1 1 5 5 GLY N N 5 111.174 111.174 109.487 1.687 19682 2573 1 6 . 1 1 5 5 GLY C C 5 174.567 174.567 174.841 -0.274 19682 2574 1 6 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.297 0.888 19682 2575 1 6 . 1 1 5 5 GLY H H 5 8.475 8.475 8.141 0.334 19682 2576 1 6 . 1 1 6 6 GLY N N 6 108.594 108.594 109.339 -0.745 19682 2577 1 6 . 1 1 6 6 GLY C C 6 173.781 173.781 174.805 -1.024 19682 2578 1 6 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.656 -0.673 19682 2579 1 6 . 1 1 6 6 GLY H H 6 8.274 8.274 7.700 0.574 19682 2580 1 6 . 1 1 7 7 SER N N 7 116.558 116.558 115.217 1.341 19682 2581 1 6 . 1 1 7 7 SER C C 7 172.995 172.995 172.232 0.763 19682 2582 1 6 . 1 1 7 7 SER CA C 7 56.387 56.387 57.030 -0.643 19682 2583 1 6 . 1 1 7 7 SER CB C 7 63.508 63.508 64.312 -0.804 19682 2584 1 6 . 1 1 7 7 SER H H 7 8.220 8.220 7.811 0.409 19682 2585 1 6 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.468 -0.014 19682 2586 1 6 . 1 1 8 8 PRO C C 8 176.864 176.864 176.273 0.591 19682 2587 1 6 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.843 0.506 19682 2588 1 6 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.002 0.008 19682 2589 1 6 . 1 1 9 9 LEU N N 9 121.497 121.497 125.331 -3.834 19682 2590 1 6 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.324 -0.020 19682 2591 1 6 . 1 1 9 9 LEU C C 9 177.237 177.237 177.562 -0.325 19682 2592 1 6 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.632 0.391 19682 2593 1 6 . 1 1 9 9 LEU CB C 9 42.353 42.353 42.308 0.045 19682 2594 1 6 . 1 1 9 9 LEU H H 9 8.196 8.196 8.356 -0.160 19682 2595 1 6 . 1 1 10 10 ALA N N 10 124.964 124.964 128.042 -3.078 19682 2596 1 6 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.344 0.058 19682 2597 1 6 . 1 1 10 10 ALA C C 10 177.812 177.812 177.833 -0.021 19682 2598 1 6 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.125 0.283 19682 2599 1 6 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.141 0.097 19682 2600 1 6 . 1 1 10 10 ALA H H 10 8.242 8.242 8.292 -0.050 19682 2601 1 6 . 1 1 11 11 THR N N 11 112.852 112.852 115.145 -2.293 19682 2602 1 6 . 1 1 11 11 THR HA H 11 4.341 4.341 4.158 0.183 19682 2603 1 6 . 1 1 11 11 THR C C 11 175.181 175.181 175.480 -0.299 19682 2604 1 6 . 1 1 11 11 THR CA C 11 61.870 61.870 63.271 -1.401 19682 2605 1 6 . 1 1 11 11 THR CB C 11 69.622 69.622 67.662 1.960 19682 2606 1 6 . 1 1 11 11 THR H H 11 8.081 8.081 8.541 -0.460 19682 2607 1 6 . 1 1 12 12 GLY N N 12 110.929 110.929 116.432 -5.503 19682 2608 1 6 . 1 1 12 12 GLY C C 12 174.395 174.395 175.152 -0.757 19682 2609 1 6 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.324 0.052 19682 2610 1 6 . 1 1 12 12 GLY H H 12 8.408 8.408 8.210 0.198 19682 2611 1 6 . 1 1 13 13 THR N N 13 113.482 113.482 113.154 0.328 19682 2612 1 6 . 1 1 13 13 THR HA H 13 4.445 4.445 4.032 0.413 19682 2613 1 6 . 1 1 13 13 THR C C 13 174.889 174.889 174.495 0.394 19682 2614 1 6 . 1 1 13 13 THR CA C 13 61.816 61.816 64.760 -2.945 19682 2615 1 6 . 1 1 13 13 THR CB C 13 69.812 69.812 68.352 1.460 19682 2616 1 6 . 1 1 13 13 THR H H 13 8.130 8.130 8.193 -0.063 19682 2617 1 6 . 1 1 14 14 THR N N 14 116.080 116.080 117.322 -1.242 19682 2618 1 6 . 1 1 14 14 THR HA H 14 4.370 4.370 4.489 -0.119 19682 2619 1 6 . 1 1 14 14 THR C C 14 174.385 174.385 173.014 1.371 19682 2620 1 6 . 1 1 14 14 THR CA C 14 61.788 61.788 61.803 -0.015 19682 2621 1 6 . 1 1 14 14 THR CB C 14 69.696 69.696 69.933 -0.237 19682 2622 1 6 . 1 1 14 14 THR H H 14 8.199 8.199 7.928 0.271 19682 2623 1 6 . 1 1 15 15 ALA N N 15 126.054 126.054 129.994 -3.940 19682 2624 1 6 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.400 -0.099 19682 2625 1 6 . 1 1 15 15 ALA C C 15 177.469 177.469 176.729 0.740 19682 2626 1 6 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.886 0.960 19682 2627 1 6 . 1 1 15 15 ALA CB C 15 19.184 19.184 17.977 1.207 19682 2628 1 6 . 1 1 15 15 ALA H H 15 8.349 8.349 8.413 -0.064 19682 2629 1 6 . 1 1 16 16 ASN N N 16 117.718 117.718 120.543 -2.825 19682 2630 1 6 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.743 0.001 19682 2631 1 6 . 1 1 16 16 ASN C C 16 175.575 175.575 175.057 0.518 19682 2632 1 6 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.436 -0.239 19682 2633 1 6 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.272 -0.540 19682 2634 1 6 . 1 1 16 16 ASN H H 16 8.403 8.403 8.159 0.244 19682 2635 1 6 . 1 1 17 17 THR N N 17 114.153 114.153 115.534 -1.381 19682 2636 1 6 . 1 1 17 17 THR HA H 17 4.312 4.312 4.475 -0.163 19682 2637 1 6 . 1 1 17 17 THR C C 17 174.799 174.799 173.649 1.150 19682 2638 1 6 . 1 1 17 17 THR CA C 17 61.973 61.973 61.431 0.542 19682 2639 1 6 . 1 1 17 17 THR CB C 17 69.624 69.624 70.771 -1.147 19682 2640 1 6 . 1 1 17 17 THR H H 17 8.081 8.081 8.321 -0.240 19682 2641 1 6 . 1 1 18 18 ARG N N 18 122.990 122.990 121.640 1.350 19682 2642 1 6 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.551 -0.226 19682 2643 1 6 . 1 1 18 18 ARG C C 18 176.875 176.875 176.700 0.175 19682 2644 1 6 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.786 0.765 19682 2645 1 6 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.638 -1.051 19682 2646 1 6 . 1 1 18 18 ARG H H 18 8.351 8.351 8.498 -0.147 19682 2647 1 6 . 1 1 19 19 GLY N N 19 109.993 109.993 113.058 -3.065 19682 2648 1 6 . 1 1 19 19 GLY C C 19 174.002 174.002 174.393 -0.391 19682 2649 1 6 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.298 0.016 19682 2650 1 6 . 1 1 19 19 GLY H H 19 8.394 8.394 8.732 -0.338 19682 2651 1 6 . 1 1 20 20 ALA N N 20 123.732 123.732 126.795 -3.063 19682 2652 1 6 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.658 -0.316 19682 2653 1 6 . 1 1 20 20 ALA C C 20 178.034 178.034 177.182 0.852 19682 2654 1 6 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.084 0.566 19682 2655 1 6 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.417 -0.196 19682 2656 1 6 . 1 1 20 20 ALA H H 20 8.185 8.185 7.828 0.357 19682 2657 1 6 . 1 1 21 21 SER N N 21 114.750 114.750 116.767 -2.017 19682 2658 1 6 . 1 1 21 21 SER HA H 21 4.419 4.419 4.434 -0.015 19682 2659 1 6 . 1 1 21 21 SER C C 21 174.627 174.627 174.773 -0.146 19682 2660 1 6 . 1 1 21 21 SER CA C 21 58.495 58.495 58.733 -0.238 19682 2661 1 6 . 1 1 21 21 SER CB C 21 63.697 63.697 63.325 0.372 19682 2662 1 6 . 1 1 21 21 SER H H 21 8.319 8.319 8.440 -0.121 19682 2663 1 6 . 1 1 22 22 GLN N N 22 122.092 122.092 117.346 4.746 19682 2664 1 6 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.047 0.297 19682 2665 1 6 . 1 1 22 22 GLN C C 22 175.857 175.857 175.023 0.834 19682 2666 1 6 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.493 -0.718 19682 2667 1 6 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.367 1.031 19682 2668 1 6 . 1 1 22 22 GLN H H 22 8.343 8.343 7.941 0.402 19682 2669 1 6 . 1 1 23 23 LYS N N 23 122.663 122.663 120.933 1.730 19682 2670 1 6 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.433 -0.136 19682 2671 1 6 . 1 1 23 23 LYS C C 23 176.502 176.502 176.365 0.137 19682 2672 1 6 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.688 -0.373 19682 2673 1 6 . 1 1 23 23 LYS CB C 23 33.048 33.048 33.693 -0.645 19682 2674 1 6 . 1 1 23 23 LYS H H 23 8.309 8.309 8.514 -0.205 19682 2675 1 6 . 1 1 24 24 LYS N N 24 123.434 123.434 116.508 6.926 19682 2676 1 6 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.046 0.280 19682 2677 1 6 . 1 1 24 24 LYS C C 24 177.026 177.026 176.019 1.007 19682 2678 1 6 . 1 1 24 24 LYS CA C 24 56.359 56.359 57.256 -0.897 19682 2679 1 6 . 1 1 24 24 LYS CB C 24 32.993 32.993 31.842 1.151 19682 2680 1 6 . 1 1 24 24 LYS H H 24 8.469 8.469 7.992 0.477 19682 2681 1 6 . 1 1 25 25 GLY N N 25 110.813 110.813 106.678 4.135 19682 2682 1 6 . 1 1 25 25 GLY C C 25 174.476 174.476 174.001 0.475 19682 2683 1 6 . 1 1 25 25 GLY CA C 25 45.274 45.274 45.647 -0.373 19682 2684 1 6 . 1 1 25 25 GLY H H 25 8.531 8.531 8.777 -0.246 19682 2685 1 6 . 1 1 26 26 GLY N N 26 108.690 108.690 108.560 0.130 19682 2686 1 6 . 1 1 26 26 GLY C C 26 173.851 173.851 174.900 -1.049 19682 2687 1 6 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.240 -0.171 19682 2688 1 6 . 1 1 26 26 GLY H H 26 8.279 8.279 8.138 0.141 19682 2689 1 6 . 1 1 27 27 GLU N N 27 121.707 121.707 120.985 0.722 19682 2690 1 6 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.553 0.031 19682 2691 1 6 . 1 1 27 27 GLU C C 27 174.204 174.204 174.939 -0.735 19682 2692 1 6 . 1 1 27 27 GLU CA C 27 54.440 54.440 53.949 0.491 19682 2693 1 6 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.752 -0.314 19682 2694 1 6 . 1 1 27 27 GLU H H 27 8.321 8.321 8.393 -0.072 19682 2695 1 6 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.722 -0.328 19682 2696 1 6 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.327 1.484 19682 2697 1 6 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.561 0.597 19682 2698 1 6 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.507 -0.110 19682 2699 1 6 . 1 1 29 29 PRO C C 29 176.462 176.462 176.218 0.244 19682 2700 1 6 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.723 0.121 19682 2701 1 6 . 1 1 29 29 PRO CB C 29 31.961 31.961 32.480 -0.519 19682 2702 1 6 . 1 1 30 30 ALA N N 30 123.850 123.850 127.188 -3.338 19682 2703 1 6 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.490 -0.216 19682 2704 1 6 . 1 1 30 30 ALA C C 30 177.368 177.368 177.012 0.356 19682 2705 1 6 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.519 0.738 19682 2706 1 6 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.468 -0.232 19682 2707 1 6 . 1 1 30 30 ALA H H 30 8.290 8.290 8.194 0.096 19682 2708 1 6 . 1 1 31 31 LEU N N 31 121.430 121.430 125.875 -4.445 19682 2709 1 6 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.325 0.008 19682 2710 1 6 . 1 1 31 31 LEU C C 31 176.804 176.804 176.140 0.664 19682 2711 1 6 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.849 0.166 19682 2712 1 6 . 1 1 31 31 LEU CB C 31 42.444 42.444 41.138 1.306 19682 2713 1 6 . 1 1 31 31 LEU H H 31 8.139 8.139 8.535 -0.396 19682 2714 1 6 . 1 1 32 32 ILE N N 32 123.070 123.070 127.232 -4.162 19682 2715 1 6 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.166 0.002 19682 2716 1 6 . 1 1 32 32 ILE C C 32 175.887 175.887 176.135 -0.248 19682 2717 1 6 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.270 -0.580 19682 2718 1 6 . 1 1 32 32 ILE CB C 32 38.477 38.477 38.314 0.163 19682 2719 1 6 . 1 1 32 32 ILE H H 32 8.140 8.140 8.021 0.119 19682 2720 1 6 . 1 1 33 33 VAL N N 33 124.923 124.923 126.212 -1.289 19682 2721 1 6 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.310 -0.223 19682 2722 1 6 . 1 1 33 33 VAL C C 33 175.232 175.232 174.990 0.242 19682 2723 1 6 . 1 1 33 33 VAL CA C 33 61.851 61.851 61.615 0.236 19682 2724 1 6 . 1 1 33 33 VAL CB C 33 32.920 32.920 30.734 2.186 19682 2725 1 6 . 1 1 33 33 VAL H H 33 8.198 8.198 8.441 -0.243 19682 2726 1 6 . 1 1 34 34 ASP N N 34 125.813 125.813 128.905 -3.092 19682 2727 1 6 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.798 0.062 19682 2728 1 6 . 1 1 34 34 ASP C C 34 174.919 174.919 174.300 0.619 19682 2729 1 6 . 1 1 34 34 ASP CA C 34 51.926 51.926 54.369 -2.443 19682 2730 1 6 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.373 -0.869 19682 2731 1 6 . 1 1 34 34 ASP H H 34 8.336 8.336 8.413 -0.077 19682 2732 1 6 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.577 -0.213 19682 2733 1 6 . 1 1 35 35 PRO C C 35 177.091 177.091 176.031 1.060 19682 2734 1 6 . 1 1 35 35 PRO CA C 35 63.514 63.514 62.554 0.959 19682 2735 1 6 . 1 1 35 35 PRO CB C 35 32.173 32.173 31.983 0.190 19682 2736 1 6 . 1 1 36 36 LEU N N 36 119.977 119.977 118.290 1.687 19682 2737 1 6 . 1 1 36 36 LEU HA H 36 4.256 4.256 3.920 0.336 19682 2738 1 6 . 1 1 36 36 LEU C C 36 177.479 177.479 176.941 0.538 19682 2739 1 6 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.617 0.610 19682 2740 1 6 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.022 1.613 19682 2741 1 6 . 1 1 36 36 LEU H H 36 8.316 8.316 7.968 0.348 19682 2742 1 6 . 1 1 37 37 MET N N 37 120.231 120.231 120.561 -0.330 19682 2743 1 6 . 1 1 37 37 MET HA H 37 4.326 4.326 4.105 0.221 19682 2744 1 6 . 1 1 37 37 MET C C 37 175.171 175.171 176.373 -1.202 19682 2745 1 6 . 1 1 37 37 MET CA C 37 55.160 55.160 57.389 -2.229 19682 2746 1 6 . 1 1 37 37 MET CB C 37 32.514 32.514 32.974 -0.460 19682 2747 1 6 . 1 1 37 37 MET H H 37 7.893 7.893 8.283 -0.390 19682 2748 1 6 . 1 1 38 38 LYS N N 38 122.361 122.361 118.835 3.526 19682 2749 1 6 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.358 -0.198 19682 2750 1 6 . 1 1 38 38 LYS C C 38 175.837 175.837 176.289 -0.452 19682 2751 1 6 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.240 0.865 19682 2752 1 6 . 1 1 38 38 LYS CB C 38 33.214 33.214 32.318 0.896 19682 2753 1 6 . 1 1 38 38 LYS H H 38 7.929 7.929 8.001 -0.072 19682 2754 1 6 . 1 1 39 39 TYR N N 39 120.347 120.347 122.984 -2.637 19682 2755 1 6 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.373 0.197 19682 2756 1 6 . 1 1 39 39 TYR C C 39 174.325 174.325 176.177 -1.852 19682 2757 1 6 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.093 -0.669 19682 2758 1 6 . 1 1 39 39 TYR CB C 39 38.609 38.609 36.545 2.064 19682 2759 1 6 . 1 1 39 39 TYR H H 39 8.020 8.020 9.013 -0.993 19682 2760 1 6 . 1 1 40 40 ILE N N 40 119.688 119.688 123.462 -3.774 19682 2761 1 6 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.902 0.073 19682 2762 1 6 . 1 1 40 40 ILE C C 40 175.181 175.181 174.999 0.182 19682 2763 1 6 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.116 -2.536 19682 2764 1 6 . 1 1 40 40 ILE CB C 40 39.694 39.694 37.601 2.093 19682 2765 1 6 . 1 1 40 40 ILE H H 40 8.000 8.000 7.828 0.172 19682 2766 1 6 . 1 1 41 41 CYS N N 41 129.049 129.049 128.304 0.745 19682 2767 1 6 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.186 -0.214 19682 2768 1 6 . 1 1 41 41 CYS C C 41 177.197 177.197 176.273 0.924 19682 2769 1 6 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.549 0.508 19682 2770 1 6 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.049 5.325 19682 2771 1 6 . 1 1 41 41 CYS H H 41 7.990 7.990 8.280 -0.290 19682 2772 1 6 . 1 1 42 42 HIS N N 42 127.633 127.633 128.425 -0.792 19682 2773 1 6 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.162 -0.030 19682 2774 1 6 . 1 1 42 42 HIS C C 42 174.385 174.385 175.927 -1.542 19682 2775 1 6 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.498 -0.507 19682 2776 1 6 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.988 -1.288 19682 2777 1 6 . 1 1 42 42 HIS H H 42 8.933 8.933 8.851 0.082 19682 2778 1 6 . 1 1 43 43 ILE N N 43 119.482 119.482 118.939 0.543 19682 2779 1 6 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.025 0.140 19682 2780 1 6 . 1 1 43 43 ILE C C 43 176.673 176.673 176.708 -0.035 19682 2781 1 6 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.520 -0.398 19682 2782 1 6 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.572 -1.238 19682 2783 1 6 . 1 1 43 43 ILE H H 43 8.944 8.944 7.995 0.949 19682 2784 1 6 . 1 1 44 44 CYS N N 44 117.996 117.996 114.750 3.246 19682 2785 1 6 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.925 -0.041 19682 2786 1 6 . 1 1 44 44 CYS C C 44 176.008 176.008 175.003 1.005 19682 2787 1 6 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.110 1.891 19682 2788 1 6 . 1 1 44 44 CYS CB C 44 31.055 31.055 29.374 1.681 19682 2789 1 6 . 1 1 44 44 CYS H H 44 8.221 8.221 7.904 0.317 19682 2790 1 6 . 1 1 45 45 ASN N N 45 117.410 117.410 116.233 1.177 19682 2791 1 6 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.379 0.008 19682 2792 1 6 . 1 1 45 45 ASN C C 45 173.893 173.893 174.068 -0.175 19682 2793 1 6 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.014 0.000 19682 2794 1 6 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.158 0.696 19682 2795 1 6 . 1 1 45 45 ASN H H 45 8.040 8.040 8.822 -0.782 19682 2796 1 6 . 1 1 46 46 ARG N N 46 117.127 117.127 120.189 -3.062 19682 2797 1 6 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.598 0.122 19682 2798 1 6 . 1 1 46 46 ARG C C 46 176.865 176.865 177.112 -0.247 19682 2799 1 6 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.735 0.692 19682 2800 1 6 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.128 4.024 19682 2801 1 6 . 1 1 46 46 ARG H H 46 8.201 8.201 7.355 0.846 19682 2802 1 6 . 1 1 47 47 GLY N N 47 109.334 109.334 110.162 -0.828 19682 2803 1 6 . 1 1 47 47 GLY C C 47 173.670 173.670 173.200 0.470 19682 2804 1 6 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.724 0.293 19682 2805 1 6 . 1 1 47 47 GLY H H 47 8.902 8.902 8.860 0.042 19682 2806 1 6 . 1 1 48 48 ASP N N 48 117.908 117.908 118.788 -0.880 19682 2807 1 6 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.761 -0.061 19682 2808 1 6 . 1 1 48 48 ASP C C 48 173.871 173.871 176.099 -2.228 19682 2809 1 6 . 1 1 48 48 ASP CA C 48 52.409 52.409 52.905 -0.496 19682 2810 1 6 . 1 1 48 48 ASP CB C 48 40.859 40.859 42.924 -2.065 19682 2811 1 6 . 1 1 48 48 ASP H H 48 8.046 8.046 7.469 0.577 19682 2812 1 6 . 1 1 49 49 VAL N N 49 117.921 117.921 118.745 -0.824 19682 2813 1 6 . 1 1 49 49 VAL HA H 49 3.703 3.703 3.843 -0.140 19682 2814 1 6 . 1 1 49 49 VAL C C 49 177.096 177.096 176.352 0.744 19682 2815 1 6 . 1 1 49 49 VAL CA C 49 62.491 62.491 64.122 -1.631 19682 2816 1 6 . 1 1 49 49 VAL CB C 49 29.423 29.423 29.640 -0.217 19682 2817 1 6 . 1 1 49 49 VAL H H 49 8.772 8.772 8.727 0.045 19682 2818 1 6 . 1 1 50 50 GLU N N 50 120.434 120.434 120.647 -0.213 19682 2819 1 6 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.039 -0.207 19682 2820 1 6 . 1 1 50 50 GLU C C 50 178.779 178.779 178.708 0.071 19682 2821 1 6 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.072 0.848 19682 2822 1 6 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.599 -0.462 19682 2823 1 6 . 1 1 50 50 GLU H H 50 9.047 9.047 8.807 0.240 19682 2824 1 6 . 1 1 51 51 GLU N N 51 119.158 119.158 118.971 0.187 19682 2825 1 6 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.135 0.172 19682 2826 1 6 . 1 1 51 51 GLU C C 51 177.358 177.358 177.199 0.159 19682 2827 1 6 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.379 -0.123 19682 2828 1 6 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.570 -1.345 19682 2829 1 6 . 1 1 51 51 GLU H H 51 9.822 9.822 8.468 1.354 19682 2830 1 6 . 1 1 52 52 SER N N 52 116.430 116.430 113.248 3.182 19682 2831 1 6 . 1 1 52 52 SER HA H 52 4.716 4.716 4.613 0.103 19682 2832 1 6 . 1 1 52 52 SER C C 52 172.309 172.309 173.249 -0.940 19682 2833 1 6 . 1 1 52 52 SER CA C 52 57.745 57.745 58.877 -1.132 19682 2834 1 6 . 1 1 52 52 SER CB C 52 64.494 64.494 64.062 0.432 19682 2835 1 6 . 1 1 52 52 SER H H 52 8.291 8.291 7.856 0.435 19682 2836 1 6 . 1 1 53 53 MET N N 53 121.812 121.812 123.178 -1.366 19682 2837 1 6 . 1 1 53 53 MET HA H 53 4.577 4.577 4.818 -0.241 19682 2838 1 6 . 1 1 53 53 MET C C 53 174.385 174.385 175.052 -0.667 19682 2839 1 6 . 1 1 53 53 MET CA C 53 54.784 54.784 54.978 -0.194 19682 2840 1 6 . 1 1 53 53 MET CB C 53 33.410 33.410 33.456 -0.046 19682 2841 1 6 . 1 1 53 53 MET H H 53 7.648 7.648 7.276 0.372 19682 2842 1 6 . 1 1 54 54 LEU N N 54 128.167 128.167 128.653 -0.486 19682 2843 1 6 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.524 -0.276 19682 2844 1 6 . 1 1 54 54 LEU C C 54 175.111 175.111 175.354 -0.243 19682 2845 1 6 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.832 -0.209 19682 2846 1 6 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.878 0.881 19682 2847 1 6 . 1 1 54 54 LEU H H 54 9.007 9.007 8.793 0.214 19682 2848 1 6 . 1 1 55 55 LEU N N 55 122.173 122.173 122.564 -0.391 19682 2849 1 6 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.936 -0.131 19682 2850 1 6 . 1 1 55 55 LEU C C 55 176.260 176.260 176.429 -0.169 19682 2851 1 6 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.225 0.022 19682 2852 1 6 . 1 1 55 55 LEU CB C 55 43.273 43.273 45.146 -1.873 19682 2853 1 6 . 1 1 55 55 LEU H H 55 8.139 8.139 8.204 -0.065 19682 2854 1 6 . 1 1 56 56 CYS N N 56 126.541 126.541 123.961 2.580 19682 2855 1 6 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.622 0.104 19682 2856 1 6 . 1 1 56 56 CYS C C 56 177.671 177.671 175.991 1.680 19682 2857 1 6 . 1 1 56 56 CYS CA C 56 60.220 60.220 59.057 1.163 19682 2858 1 6 . 1 1 56 56 CYS CB C 56 31.083 31.083 28.059 3.024 19682 2859 1 6 . 1 1 56 56 CYS H H 56 8.996 8.996 8.960 0.036 19682 2860 1 6 . 1 1 57 57 ASP N N 57 130.338 130.338 126.523 3.815 19682 2861 1 6 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.608 0.059 19682 2862 1 6 . 1 1 57 57 ASP C C 57 176.159 176.159 176.355 -0.196 19682 2863 1 6 . 1 1 57 57 ASP CA C 57 57.457 57.457 55.691 1.766 19682 2864 1 6 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.653 0.548 19682 2865 1 6 . 1 1 57 57 ASP H H 57 9.373 9.373 8.862 0.511 19682 2866 1 6 . 1 1 58 58 GLY N N 58 114.137 114.137 108.118 6.019 19682 2867 1 6 . 1 1 58 58 GLY C C 58 174.801 174.801 172.918 1.883 19682 2868 1 6 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.471 1.511 19682 2869 1 6 . 1 1 58 58 GLY H H 58 10.023 10.023 7.482 2.541 19682 2870 1 6 . 1 1 59 59 CYS N N 59 120.775 120.775 119.966 0.809 19682 2871 1 6 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.209 0.682 19682 2872 1 6 . 1 1 59 59 CYS C C 59 175.564 175.564 173.960 1.604 19682 2873 1 6 . 1 1 59 59 CYS CA C 59 58.741 58.741 56.829 1.912 19682 2874 1 6 . 1 1 59 59 CYS CB C 59 33.079 33.079 26.838 6.240 19682 2875 1 6 . 1 1 59 59 CYS H H 59 8.132 8.132 8.379 -0.247 19682 2876 1 6 . 1 1 60 60 ASP N N 60 119.232 119.232 123.710 -4.478 19682 2877 1 6 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.543 0.146 19682 2878 1 6 . 1 1 60 60 ASP C C 60 174.738 174.738 175.322 -0.584 19682 2879 1 6 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.242 1.224 19682 2880 1 6 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.610 -0.569 19682 2881 1 6 . 1 1 60 60 ASP H H 60 8.085 8.085 8.346 -0.261 19682 2882 1 6 . 1 1 61 61 ASP N N 61 121.704 121.704 125.292 -3.588 19682 2883 1 6 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.652 0.197 19682 2884 1 6 . 1 1 61 61 ASP C C 61 175.454 175.454 174.673 0.781 19682 2885 1 6 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.559 1.935 19682 2886 1 6 . 1 1 61 61 ASP CB C 61 42.194 42.194 43.688 -1.494 19682 2887 1 6 . 1 1 61 61 ASP H H 61 8.703 8.703 8.356 0.347 19682 2888 1 6 . 1 1 62 62 SER N N 62 113.381 113.381 120.528 -7.147 19682 2889 1 6 . 1 1 62 62 SER HA H 62 5.703 5.703 5.030 0.673 19682 2890 1 6 . 1 1 62 62 SER C C 62 173.821 173.821 173.175 0.646 19682 2891 1 6 . 1 1 62 62 SER CA C 62 56.165 56.165 58.405 -2.240 19682 2892 1 6 . 1 1 62 62 SER CB C 62 65.275 65.275 63.842 1.433 19682 2893 1 6 . 1 1 62 62 SER H H 62 8.313 8.313 8.704 -0.391 19682 2894 1 6 . 1 1 63 63 TYR N N 63 120.467 120.467 124.193 -3.726 19682 2895 1 6 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.674 0.677 19682 2896 1 6 . 1 1 63 63 TYR C C 63 175.393 175.393 174.656 0.737 19682 2897 1 6 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.745 -0.058 19682 2898 1 6 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.228 2.098 19682 2899 1 6 . 1 1 63 63 TYR H H 63 8.815 8.815 8.529 0.286 19682 2900 1 6 . 1 1 64 64 HIS N N 64 121.957 121.957 121.173 0.784 19682 2901 1 6 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.068 -0.218 19682 2902 1 6 . 1 1 64 64 HIS C C 64 178.559 178.559 177.208 1.351 19682 2903 1 6 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.100 2.390 19682 2904 1 6 . 1 1 64 64 HIS CB C 64 31.036 31.036 31.160 -0.124 19682 2905 1 6 . 1 1 64 64 HIS H H 64 9.276 9.276 8.123 1.153 19682 2906 1 6 . 1 1 65 65 THR N N 65 113.100 113.100 116.493 -3.393 19682 2907 1 6 . 1 1 65 65 THR HA H 65 3.603 3.603 3.854 -0.251 19682 2908 1 6 . 1 1 65 65 THR C C 65 176.824 176.824 176.453 0.371 19682 2909 1 6 . 1 1 65 65 THR CA C 65 64.805 64.805 66.629 -1.824 19682 2910 1 6 . 1 1 65 65 THR CB C 65 66.441 66.441 68.901 -2.460 19682 2911 1 6 . 1 1 65 65 THR H H 65 8.832 8.832 8.346 0.486 19682 2912 1 6 . 1 1 66 66 PHE N N 66 111.288 111.288 117.461 -6.173 19682 2913 1 6 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.565 0.160 19682 2914 1 6 . 1 1 66 66 PHE C C 66 176.846 176.846 176.167 0.679 19682 2915 1 6 . 1 1 66 66 PHE CA C 66 56.215 56.215 58.934 -2.719 19682 2916 1 6 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.717 -0.287 19682 2917 1 6 . 1 1 66 66 PHE H H 66 6.541 6.541 7.929 -1.388 19682 2918 1 6 . 1 1 67 67 CYS N N 67 123.228 123.228 117.896 5.332 19682 2919 1 6 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.377 0.116 19682 2920 1 6 . 1 1 67 67 CYS C C 67 174.627 174.627 175.617 -0.990 19682 2921 1 6 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.608 2.528 19682 2922 1 6 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.675 3.928 19682 2923 1 6 . 1 1 67 67 CYS H H 67 7.384 7.384 7.402 -0.018 19682 2924 1 6 . 1 1 68 68 LEU N N 68 119.645 119.645 120.475 -0.830 19682 2925 1 6 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.246 -0.119 19682 2926 1 6 . 1 1 68 68 LEU C C 68 174.738 174.738 175.675 -0.937 19682 2927 1 6 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.191 -0.180 19682 2928 1 6 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.745 1.378 19682 2929 1 6 . 1 1 68 68 LEU H H 68 6.514 6.514 7.373 -0.859 19682 2930 1 6 . 1 1 69 69 LEU N N 69 119.803 119.803 122.421 -2.618 19682 2931 1 6 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.813 -0.130 19682 2932 1 6 . 1 1 69 69 LEU C C 69 174.879 174.879 175.418 -0.539 19682 2933 1 6 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.518 -1.301 19682 2934 1 6 . 1 1 69 69 LEU CB C 69 44.335 44.335 43.331 1.004 19682 2935 1 6 . 1 1 69 69 LEU H H 69 8.050 8.050 8.257 -0.207 19682 2936 1 6 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.761 0.273 19682 2937 1 6 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.332 0.713 19682 2938 1 6 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.409 1.625 19682 2939 1 6 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.663 -0.215 19682 2940 1 6 . 1 1 71 71 PRO C C 71 177.632 177.632 177.053 0.579 19682 2941 1 6 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.740 0.248 19682 2942 1 6 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.427 -0.298 19682 2943 1 6 . 1 1 72 72 LEU N N 72 121.033 121.033 126.143 -5.110 19682 2944 1 6 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.340 0.306 19682 2945 1 6 . 1 1 72 72 LEU C C 72 177.983 177.983 177.205 0.778 19682 2946 1 6 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.493 -0.456 19682 2947 1 6 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.810 3.574 19682 2948 1 6 . 1 1 72 72 LEU H H 72 7.660 7.660 8.045 -0.385 19682 2949 1 6 . 1 1 73 73 THR N N 73 112.645 112.645 115.906 -3.261 19682 2950 1 6 . 1 1 73 73 THR HA H 73 4.289 4.289 4.147 0.142 19682 2951 1 6 . 1 1 73 73 THR C C 73 174.305 174.305 175.611 -1.306 19682 2952 1 6 . 1 1 73 73 THR CA C 73 62.324 62.324 64.089 -1.765 19682 2953 1 6 . 1 1 73 73 THR CB C 73 69.019 69.019 69.052 -0.033 19682 2954 1 6 . 1 1 73 73 THR H H 73 8.694 8.694 7.818 0.876 19682 2955 1 6 . 1 1 74 74 SER N N 74 114.234 114.234 117.445 -3.211 19682 2956 1 6 . 1 1 74 74 SER HA H 74 4.584 4.584 4.553 0.031 19682 2957 1 6 . 1 1 74 74 SER C C 74 172.833 172.833 173.615 -0.782 19682 2958 1 6 . 1 1 74 74 SER CA C 74 56.827 56.827 57.946 -1.119 19682 2959 1 6 . 1 1 74 74 SER CB C 74 64.678 64.678 63.603 1.075 19682 2960 1 6 . 1 1 74 74 SER H H 74 7.503 7.503 8.154 -0.651 19682 2961 1 6 . 1 1 75 75 ILE N N 75 123.720 123.720 125.676 -1.956 19682 2962 1 6 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.230 -0.151 19682 2963 1 6 . 1 1 75 75 ILE C C 75 174.819 174.819 175.443 -0.624 19682 2964 1 6 . 1 1 75 75 ILE CA C 75 58.608 58.608 58.660 -0.052 19682 2965 1 6 . 1 1 75 75 ILE CB C 75 37.788 37.788 38.227 -0.439 19682 2966 1 6 . 1 1 75 75 ILE H H 75 8.498 8.498 8.359 0.139 19682 2967 1 6 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.416 -0.008 19682 2968 1 6 . 1 1 76 76 PRO C C 76 176.339 176.339 175.830 0.509 19682 2969 1 6 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.267 0.737 19682 2970 1 6 . 1 1 76 76 PRO CB C 76 32.136 32.136 30.662 1.474 19682 2971 1 6 . 1 1 77 77 LYS N N 77 121.662 121.662 124.270 -2.608 19682 2972 1 6 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.135 0.200 19682 2973 1 6 . 1 1 77 77 LYS C C 77 177.278 177.278 177.697 -0.419 19682 2974 1 6 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.083 -0.785 19682 2975 1 6 . 1 1 77 77 LYS CB C 77 32.777 32.777 32.341 0.436 19682 2976 1 6 . 1 1 77 77 LYS H H 77 8.516 8.516 8.104 0.412 19682 2977 1 6 . 1 1 78 78 GLY N N 78 110.250 110.250 115.513 -5.263 19682 2978 1 6 . 1 1 78 78 GLY C C 78 172.995 172.995 173.138 -0.143 19682 2979 1 6 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.735 -0.189 19682 2980 1 6 . 1 1 78 78 GLY H H 78 8.150 8.150 8.723 -0.573 19682 2981 1 6 . 1 1 79 79 GLU N N 79 121.820 121.820 120.223 1.597 19682 2982 1 6 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.624 -0.255 19682 2983 1 6 . 1 1 79 79 GLU C C 79 175.847 175.847 174.756 1.091 19682 2984 1 6 . 1 1 79 79 GLU CA C 79 56.977 56.977 55.444 1.533 19682 2985 1 6 . 1 1 79 79 GLU CB C 79 30.638 30.638 31.234 -0.596 19682 2986 1 6 . 1 1 79 79 GLU H H 79 8.342 8.342 8.225 0.117 19682 2987 1 6 . 1 1 80 80 TRP N N 80 126.690 126.690 124.947 1.743 19682 2988 1 6 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.789 -0.275 19682 2989 1 6 . 1 1 80 80 TRP C C 80 172.733 172.733 173.942 -1.209 19682 2990 1 6 . 1 1 80 80 TRP CA C 80 59.568 59.568 57.398 2.170 19682 2991 1 6 . 1 1 80 80 TRP CB C 80 30.409 30.409 30.798 -0.389 19682 2992 1 6 . 1 1 80 80 TRP H H 80 9.370 9.370 8.690 0.680 19682 2993 1 6 . 1 1 81 81 LEU N N 81 125.572 125.572 126.489 -0.917 19682 2994 1 6 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.458 0.563 19682 2995 1 6 . 1 1 81 81 LEU C C 81 174.617 174.617 175.454 -0.837 19682 2996 1 6 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.620 -1.186 19682 2997 1 6 . 1 1 81 81 LEU CB C 81 44.860 44.860 44.253 0.607 19682 2998 1 6 . 1 1 81 81 LEU H H 81 6.540 6.540 7.705 -1.165 19682 2999 1 6 . 1 1 82 82 CYS N N 82 125.868 125.868 120.140 5.728 19682 3000 1 6 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.957 -0.428 19682 3001 1 6 . 1 1 82 82 CYS C C 82 172.652 172.652 175.103 -2.451 19682 3002 1 6 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.646 0.916 19682 3003 1 6 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.587 2.957 19682 3004 1 6 . 1 1 82 82 CYS H H 82 9.086 9.086 8.181 0.905 19682 3005 1 6 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.984 0.084 19682 3006 1 6 . 1 1 83 83 PRO C C 83 178.541 178.541 178.664 -0.123 19682 3007 1 6 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.902 -0.635 19682 3008 1 6 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.651 0.558 19682 3009 1 6 . 1 1 84 84 ARG N N 84 117.140 117.140 117.842 -0.702 19682 3010 1 6 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.121 0.076 19682 3011 1 6 . 1 1 84 84 ARG C C 84 177.983 177.983 178.224 -0.241 19682 3012 1 6 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.824 -0.287 19682 3013 1 6 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.543 1.272 19682 3014 1 6 . 1 1 84 84 ARG H H 84 8.041 8.041 8.502 -0.461 19682 3015 1 6 . 1 1 85 85 CYS N N 85 123.417 123.417 117.664 5.753 19682 3016 1 6 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.317 -0.414 19682 3017 1 6 . 1 1 85 85 CYS C C 85 177.298 177.298 177.649 -0.351 19682 3018 1 6 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.675 2.493 19682 3019 1 6 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.096 3.942 19682 3020 1 6 . 1 1 85 85 CYS H H 85 8.210 8.210 7.764 0.446 19682 3021 1 6 . 1 1 86 86 VAL N N 86 118.037 118.037 120.439 -2.402 19682 3022 1 6 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.865 -0.225 19682 3023 1 6 . 1 1 86 86 VAL C C 86 176.623 176.623 177.612 -0.989 19682 3024 1 6 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.299 -0.791 19682 3025 1 6 . 1 1 86 86 VAL CB C 86 31.802 31.802 30.650 1.152 19682 3026 1 6 . 1 1 86 86 VAL H H 86 7.951 7.951 7.288 0.663 19682 3027 1 6 . 1 1 87 87 VAL N N 87 119.227 119.227 118.239 0.988 19682 3028 1 6 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.769 0.207 19682 3029 1 6 . 1 1 87 87 VAL C C 87 176.774 176.774 177.932 -1.158 19682 3030 1 6 . 1 1 87 87 VAL CA C 87 63.182 63.182 65.602 -2.420 19682 3031 1 6 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.691 0.519 19682 3032 1 6 . 1 1 87 87 VAL H H 87 7.255 7.255 7.392 -0.137 19682 3033 1 6 . 1 1 88 88 GLU N N 88 122.469 122.469 117.419 5.050 19682 3034 1 6 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.270 -0.071 19682 3035 1 6 . 1 1 88 88 GLU C C 88 176.623 176.623 176.341 0.282 19682 3036 1 6 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.758 0.192 19682 3037 1 6 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.909 0.181 19682 3038 1 6 . 1 1 88 88 GLU H H 88 7.986 7.986 7.771 0.215 19682 3039 1 6 . 1 1 89 89 GLU N N 89 121.343 121.343 118.710 2.633 19682 3040 1 6 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.487 -0.298 19682 3041 1 6 . 1 1 89 89 GLU C C 89 176.744 176.744 176.764 -0.020 19682 3042 1 6 . 1 1 89 89 GLU CA C 89 56.956 56.956 55.569 1.387 19682 3043 1 6 . 1 1 89 89 GLU CB C 89 29.912 29.912 30.931 -1.019 19682 3044 1 6 . 1 1 89 89 GLU H H 89 8.168 8.168 7.188 0.980 19682 3045 1 6 . 1 1 90 90 VAL N N 90 120.127 120.127 117.663 2.464 19682 3046 1 6 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.721 0.363 19682 3047 1 6 . 1 1 90 90 VAL C C 90 176.290 176.290 175.231 1.059 19682 3048 1 6 . 1 1 90 90 VAL CA C 90 62.592 62.592 63.416 -0.824 19682 3049 1 6 . 1 1 90 90 VAL CB C 90 32.527 32.527 30.519 2.008 19682 3050 1 6 . 1 1 90 90 VAL H H 90 8.027 8.027 8.778 -0.751 19682 3051 1 6 . 1 1 91 91 SER N N 91 118.678 118.678 117.418 1.260 19682 3052 1 6 . 1 1 91 91 SER HA H 91 4.439 4.439 4.530 -0.091 19682 3053 1 6 . 1 1 91 91 SER C C 91 173.932 173.932 173.715 0.217 19682 3054 1 6 . 1 1 91 91 SER CA C 91 58.189 58.189 59.111 -0.922 19682 3055 1 6 . 1 1 91 91 SER CB C 91 63.706 63.706 61.565 2.141 19682 3056 1 6 . 1 1 91 91 SER H H 91 8.222 8.222 8.528 -0.306 19682 3057 1 6 . 1 1 92 92 LYS N N 92 124.547 124.547 121.292 3.255 19682 3058 1 6 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.702 -0.095 19682 3059 1 6 . 1 1 92 92 LYS C C 92 174.395 174.395 174.805 -0.410 19682 3060 1 6 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.320 -0.048 19682 3061 1 6 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.979 -0.333 19682 3062 1 6 . 1 1 92 92 LYS H H 92 8.165 8.165 7.556 0.609 19682 3063 1 6 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.645 -0.226 19682 3064 1 6 . 1 1 93 93 PRO C C 93 176.194 176.194 176.973 -0.779 19682 3065 1 6 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.730 0.688 19682 3066 1 6 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.947 -0.051 19682 3067 1 7 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.694 0.056 19682 3068 1 7 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.822 0.470 19682 3069 1 7 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.418 0.140 19682 3070 1 7 . 1 1 2 2 HIS H H 2 8.134 8.134 8.616 -0.482 19682 3071 1 7 . 1 1 3 3 MET N N 3 123.164 123.164 126.523 -3.359 19682 3072 1 7 . 1 1 3 3 MET HA H 3 4.494 4.494 4.347 0.147 19682 3073 1 7 . 1 1 3 3 MET C C 3 176.078 176.078 175.883 0.195 19682 3074 1 7 . 1 1 3 3 MET CA C 3 55.504 55.504 55.096 0.408 19682 3075 1 7 . 1 1 3 3 MET CB C 3 32.860 32.860 32.137 0.723 19682 3076 1 7 . 1 1 3 3 MET H H 3 8.419 8.419 8.552 -0.133 19682 3077 1 7 . 1 1 4 4 SER N N 4 117.403 117.403 123.585 -6.182 19682 3078 1 7 . 1 1 4 4 SER HA H 4 4.439 4.439 4.635 -0.196 19682 3079 1 7 . 1 1 4 4 SER C C 4 175.011 175.011 175.104 -0.093 19682 3080 1 7 . 1 1 4 4 SER CA C 4 58.516 58.516 58.773 -0.257 19682 3081 1 7 . 1 1 4 4 SER CB C 4 63.773 63.773 62.112 1.661 19682 3082 1 7 . 1 1 4 4 SER H H 4 8.416 8.416 8.457 -0.041 19682 3083 1 7 . 1 1 5 5 GLY N N 5 111.174 111.174 112.202 -1.028 19682 3084 1 7 . 1 1 5 5 GLY C C 5 174.567 174.567 174.799 -0.232 19682 3085 1 7 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.239 -0.054 19682 3086 1 7 . 1 1 5 5 GLY H H 5 8.475 8.475 8.111 0.364 19682 3087 1 7 . 1 1 6 6 GLY N N 6 108.594 108.594 109.136 -0.542 19682 3088 1 7 . 1 1 6 6 GLY C C 6 173.781 173.781 173.491 0.290 19682 3089 1 7 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.770 0.213 19682 3090 1 7 . 1 1 6 6 GLY H H 6 8.274 8.274 8.163 0.111 19682 3091 1 7 . 1 1 7 7 SER N N 7 116.558 116.558 115.619 0.939 19682 3092 1 7 . 1 1 7 7 SER C C 7 172.995 172.995 172.223 0.772 19682 3093 1 7 . 1 1 7 7 SER CA C 7 56.387 56.387 57.423 -1.036 19682 3094 1 7 . 1 1 7 7 SER CB C 7 63.508 63.508 64.298 -0.790 19682 3095 1 7 . 1 1 7 7 SER H H 7 8.220 8.220 8.100 0.120 19682 3096 1 7 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.645 -0.191 19682 3097 1 7 . 1 1 8 8 PRO C C 8 176.864 176.864 176.841 0.023 19682 3098 1 7 . 1 1 8 8 PRO CA C 8 63.349 63.349 63.031 0.318 19682 3099 1 7 . 1 1 8 8 PRO CB C 8 32.010 32.010 30.029 1.981 19682 3100 1 7 . 1 1 9 9 LEU N N 9 121.497 121.497 119.934 1.563 19682 3101 1 7 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.362 -0.058 19682 3102 1 7 . 1 1 9 9 LEU C C 9 177.237 177.237 177.208 0.029 19682 3103 1 7 . 1 1 9 9 LEU CA C 9 55.023 55.023 56.628 -1.605 19682 3104 1 7 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.431 0.922 19682 3105 1 7 . 1 1 9 9 LEU H H 9 8.196 8.196 7.979 0.217 19682 3106 1 7 . 1 1 10 10 ALA N N 10 124.964 124.964 121.658 3.306 19682 3107 1 7 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.373 0.029 19682 3108 1 7 . 1 1 10 10 ALA C C 10 177.812 177.812 177.936 -0.124 19682 3109 1 7 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.832 0.576 19682 3110 1 7 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.367 0.871 19682 3111 1 7 . 1 1 10 10 ALA H H 10 8.242 8.242 8.096 0.146 19682 3112 1 7 . 1 1 11 11 THR N N 11 112.852 112.852 117.859 -5.007 19682 3113 1 7 . 1 1 11 11 THR HA H 11 4.341 4.341 4.327 0.014 19682 3114 1 7 . 1 1 11 11 THR C C 11 175.181 175.181 174.474 0.707 19682 3115 1 7 . 1 1 11 11 THR CA C 11 61.870 61.870 61.866 0.004 19682 3116 1 7 . 1 1 11 11 THR CB C 11 69.622 69.622 67.893 1.729 19682 3117 1 7 . 1 1 11 11 THR H H 11 8.081 8.081 7.959 0.122 19682 3118 1 7 . 1 1 12 12 GLY N N 12 110.929 110.929 112.022 -1.093 19682 3119 1 7 . 1 1 12 12 GLY C C 12 174.395 174.395 173.836 0.559 19682 3120 1 7 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.374 1.002 19682 3121 1 7 . 1 1 12 12 GLY H H 12 8.408 8.408 7.732 0.676 19682 3122 1 7 . 1 1 13 13 THR N N 13 113.482 113.482 121.117 -7.635 19682 3123 1 7 . 1 1 13 13 THR HA H 13 4.445 4.445 4.170 0.275 19682 3124 1 7 . 1 1 13 13 THR C C 13 174.889 174.889 174.742 0.147 19682 3125 1 7 . 1 1 13 13 THR CA C 13 61.816 61.816 63.264 -1.448 19682 3126 1 7 . 1 1 13 13 THR CB C 13 69.812 69.812 68.001 1.811 19682 3127 1 7 . 1 1 13 13 THR H H 13 8.130 8.130 7.954 0.176 19682 3128 1 7 . 1 1 14 14 THR N N 14 116.080 116.080 118.277 -2.197 19682 3129 1 7 . 1 1 14 14 THR HA H 14 4.370 4.370 4.549 -0.179 19682 3130 1 7 . 1 1 14 14 THR C C 14 174.385 174.385 174.419 -0.034 19682 3131 1 7 . 1 1 14 14 THR CA C 14 61.788 61.788 60.713 1.075 19682 3132 1 7 . 1 1 14 14 THR CB C 14 69.696 69.696 69.714 -0.018 19682 3133 1 7 . 1 1 14 14 THR H H 14 8.199 8.199 7.841 0.358 19682 3134 1 7 . 1 1 15 15 ALA N N 15 126.054 126.054 130.114 -4.060 19682 3135 1 7 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.333 -0.032 19682 3136 1 7 . 1 1 15 15 ALA C C 15 177.469 177.469 177.403 0.066 19682 3137 1 7 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.666 1.180 19682 3138 1 7 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.603 0.581 19682 3139 1 7 . 1 1 15 15 ALA H H 15 8.349 8.349 8.769 -0.420 19682 3140 1 7 . 1 1 16 16 ASN N N 16 117.718 117.718 124.820 -7.102 19682 3141 1 7 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.696 0.048 19682 3142 1 7 . 1 1 16 16 ASN C C 16 175.575 175.575 174.777 0.798 19682 3143 1 7 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.170 1.027 19682 3144 1 7 . 1 1 16 16 ASN CB C 16 38.732 38.732 37.293 1.439 19682 3145 1 7 . 1 1 16 16 ASN H H 16 8.403 8.403 8.289 0.114 19682 3146 1 7 . 1 1 17 17 THR N N 17 114.153 114.153 119.226 -5.073 19682 3147 1 7 . 1 1 17 17 THR HA H 17 4.312 4.312 4.297 0.015 19682 3148 1 7 . 1 1 17 17 THR C C 17 174.799 174.799 174.850 -0.051 19682 3149 1 7 . 1 1 17 17 THR CA C 17 61.973 61.973 62.752 -0.779 19682 3150 1 7 . 1 1 17 17 THR CB C 17 69.624 69.624 68.689 0.935 19682 3151 1 7 . 1 1 17 17 THR H H 17 8.081 8.081 7.955 0.126 19682 3152 1 7 . 1 1 18 18 ARG N N 18 122.990 122.990 129.421 -6.431 19682 3153 1 7 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.526 -0.201 19682 3154 1 7 . 1 1 18 18 ARG C C 18 176.875 176.875 176.098 0.777 19682 3155 1 7 . 1 1 18 18 ARG CA C 18 56.551 56.551 54.495 2.056 19682 3156 1 7 . 1 1 18 18 ARG CB C 18 30.587 30.587 29.475 1.112 19682 3157 1 7 . 1 1 18 18 ARG H H 18 8.351 8.351 8.288 0.063 19682 3158 1 7 . 1 1 19 19 GLY N N 19 109.993 109.993 111.030 -1.037 19682 3159 1 7 . 1 1 19 19 GLY C C 19 174.002 174.002 173.924 0.078 19682 3160 1 7 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.739 0.575 19682 3161 1 7 . 1 1 19 19 GLY H H 19 8.394 8.394 8.342 0.052 19682 3162 1 7 . 1 1 20 20 ALA N N 20 123.732 123.732 129.324 -5.592 19682 3163 1 7 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.397 -0.055 19682 3164 1 7 . 1 1 20 20 ALA C C 20 178.034 178.034 176.661 1.373 19682 3165 1 7 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.603 1.047 19682 3166 1 7 . 1 1 20 20 ALA CB C 20 19.221 19.221 18.774 0.447 19682 3167 1 7 . 1 1 20 20 ALA H H 20 8.185 8.185 7.803 0.382 19682 3168 1 7 . 1 1 21 21 SER N N 21 114.750 114.750 118.092 -3.342 19682 3169 1 7 . 1 1 21 21 SER HA H 21 4.419 4.419 4.503 -0.084 19682 3170 1 7 . 1 1 21 21 SER C C 21 174.627 174.627 174.352 0.275 19682 3171 1 7 . 1 1 21 21 SER CA C 21 58.495 58.495 57.864 0.631 19682 3172 1 7 . 1 1 21 21 SER CB C 21 63.697 63.697 63.550 0.147 19682 3173 1 7 . 1 1 21 21 SER H H 21 8.319 8.319 8.364 -0.045 19682 3174 1 7 . 1 1 22 22 GLN N N 22 122.092 122.092 127.177 -5.085 19682 3175 1 7 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.434 -0.089 19682 3176 1 7 . 1 1 22 22 GLN C C 22 175.857 175.857 176.497 -0.640 19682 3177 1 7 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.051 -0.276 19682 3178 1 7 . 1 1 22 22 GLN CB C 22 29.398 29.398 29.356 0.042 19682 3179 1 7 . 1 1 22 22 GLN H H 22 8.343 8.343 8.457 -0.114 19682 3180 1 7 . 1 1 23 23 LYS N N 23 122.663 122.663 123.868 -1.205 19682 3181 1 7 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.121 0.176 19682 3182 1 7 . 1 1 23 23 LYS C C 23 176.502 176.502 177.529 -1.027 19682 3183 1 7 . 1 1 23 23 LYS CA C 23 56.315 56.315 57.538 -1.223 19682 3184 1 7 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.809 0.238 19682 3185 1 7 . 1 1 23 23 LYS H H 23 8.309 8.309 8.555 -0.246 19682 3186 1 7 . 1 1 24 24 LYS N N 24 123.434 123.434 119.412 4.022 19682 3187 1 7 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.334 -0.008 19682 3188 1 7 . 1 1 24 24 LYS C C 24 177.026 177.026 176.406 0.620 19682 3189 1 7 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.270 0.089 19682 3190 1 7 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.181 -0.188 19682 3191 1 7 . 1 1 24 24 LYS H H 24 8.469 8.469 7.834 0.635 19682 3192 1 7 . 1 1 25 25 GLY N N 25 110.813 110.813 112.573 -1.760 19682 3193 1 7 . 1 1 25 25 GLY C C 25 174.476 174.476 174.462 0.014 19682 3194 1 7 . 1 1 25 25 GLY CA C 25 45.274 45.274 45.861 -0.587 19682 3195 1 7 . 1 1 25 25 GLY H H 25 8.531 8.531 8.722 -0.191 19682 3196 1 7 . 1 1 26 26 GLY N N 26 108.690 108.690 111.792 -3.102 19682 3197 1 7 . 1 1 26 26 GLY C C 26 173.851 173.851 174.879 -1.028 19682 3198 1 7 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.566 0.503 19682 3199 1 7 . 1 1 26 26 GLY H H 26 8.279 8.279 8.300 -0.021 19682 3200 1 7 . 1 1 27 27 GLU N N 27 121.707 121.707 122.956 -1.249 19682 3201 1 7 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.558 0.026 19682 3202 1 7 . 1 1 27 27 GLU C C 27 174.204 174.204 175.368 -1.164 19682 3203 1 7 . 1 1 27 27 GLU CA C 27 54.440 54.440 53.838 0.602 19682 3204 1 7 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.350 0.087 19682 3205 1 7 . 1 1 27 27 GLU H H 27 8.321 8.321 7.663 0.658 19682 3206 1 7 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.601 -0.207 19682 3207 1 7 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.931 0.880 19682 3208 1 7 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.128 1.030 19682 3209 1 7 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.416 -0.019 19682 3210 1 7 . 1 1 29 29 PRO C C 29 176.462 176.462 176.456 0.006 19682 3211 1 7 . 1 1 29 29 PRO CA C 29 62.844 62.844 63.075 -0.231 19682 3212 1 7 . 1 1 29 29 PRO CB C 29 31.961 31.961 32.148 -0.187 19682 3213 1 7 . 1 1 30 30 ALA N N 30 123.850 123.850 126.461 -2.611 19682 3214 1 7 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.304 -0.030 19682 3215 1 7 . 1 1 30 30 ALA C C 30 177.368 177.368 177.510 -0.142 19682 3216 1 7 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.859 0.398 19682 3217 1 7 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.541 -0.304 19682 3218 1 7 . 1 1 30 30 ALA H H 30 8.290 8.290 8.082 0.208 19682 3219 1 7 . 1 1 31 31 LEU N N 31 121.430 121.430 123.579 -2.149 19682 3220 1 7 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.458 -0.125 19682 3221 1 7 . 1 1 31 31 LEU C C 31 176.804 176.804 177.228 -0.424 19682 3222 1 7 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.754 0.261 19682 3223 1 7 . 1 1 31 31 LEU CB C 31 42.444 42.444 43.346 -0.902 19682 3224 1 7 . 1 1 31 31 LEU H H 31 8.139 8.139 8.321 -0.182 19682 3225 1 7 . 1 1 32 32 ILE N N 32 123.070 123.070 125.953 -2.883 19682 3226 1 7 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.091 0.077 19682 3227 1 7 . 1 1 32 32 ILE C C 32 175.887 175.887 175.921 -0.034 19682 3228 1 7 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.451 -0.761 19682 3229 1 7 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.801 1.676 19682 3230 1 7 . 1 1 32 32 ILE H H 32 8.140 8.140 8.395 -0.255 19682 3231 1 7 . 1 1 33 33 VAL N N 33 124.923 124.923 130.433 -5.510 19682 3232 1 7 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.093 -0.006 19682 3233 1 7 . 1 1 33 33 VAL C C 33 175.232 175.232 175.168 0.064 19682 3234 1 7 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.287 -0.436 19682 3235 1 7 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.518 1.402 19682 3236 1 7 . 1 1 33 33 VAL H H 33 8.198 8.198 8.053 0.145 19682 3237 1 7 . 1 1 34 34 ASP N N 34 125.813 125.813 129.022 -3.209 19682 3238 1 7 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.989 -0.129 19682 3239 1 7 . 1 1 34 34 ASP C C 34 174.919 174.919 175.454 -0.535 19682 3240 1 7 . 1 1 34 34 ASP CA C 34 51.926 51.926 51.370 0.556 19682 3241 1 7 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.302 -0.798 19682 3242 1 7 . 1 1 34 34 ASP H H 34 8.336 8.336 8.386 -0.050 19682 3243 1 7 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.405 -0.041 19682 3244 1 7 . 1 1 35 35 PRO C C 35 177.091 177.091 177.583 -0.492 19682 3245 1 7 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.926 -0.412 19682 3246 1 7 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.025 0.148 19682 3247 1 7 . 1 1 36 36 LEU N N 36 119.977 119.977 116.484 3.493 19682 3248 1 7 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.261 -0.005 19682 3249 1 7 . 1 1 36 36 LEU C C 36 177.479 177.479 177.564 -0.085 19682 3250 1 7 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.713 0.513 19682 3251 1 7 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.182 0.453 19682 3252 1 7 . 1 1 36 36 LEU H H 36 8.316 8.316 7.656 0.660 19682 3253 1 7 . 1 1 37 37 MET N N 37 120.231 120.231 116.165 4.066 19682 3254 1 7 . 1 1 37 37 MET HA H 37 4.326 4.326 4.015 0.311 19682 3255 1 7 . 1 1 37 37 MET C C 37 175.171 175.171 176.780 -1.609 19682 3256 1 7 . 1 1 37 37 MET CA C 37 55.160 55.160 57.274 -2.114 19682 3257 1 7 . 1 1 37 37 MET CB C 37 32.514 32.514 32.484 0.030 19682 3258 1 7 . 1 1 37 37 MET H H 37 7.893 7.893 7.173 0.720 19682 3259 1 7 . 1 1 38 38 LYS N N 38 122.361 122.361 120.546 1.815 19682 3260 1 7 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.206 -0.046 19682 3261 1 7 . 1 1 38 38 LYS C C 38 175.837 175.837 176.916 -1.079 19682 3262 1 7 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.217 0.888 19682 3263 1 7 . 1 1 38 38 LYS CB C 38 33.214 33.214 31.614 1.600 19682 3264 1 7 . 1 1 38 38 LYS H H 38 7.929 7.929 7.391 0.538 19682 3265 1 7 . 1 1 39 39 TYR N N 39 120.347 120.347 126.543 -6.196 19682 3266 1 7 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.168 0.402 19682 3267 1 7 . 1 1 39 39 TYR C C 39 174.325 174.325 176.833 -2.508 19682 3268 1 7 . 1 1 39 39 TYR CA C 39 57.424 57.424 60.485 -3.061 19682 3269 1 7 . 1 1 39 39 TYR CB C 39 38.609 38.609 38.890 -0.281 19682 3270 1 7 . 1 1 39 39 TYR H H 39 8.020 8.020 8.083 -0.063 19682 3271 1 7 . 1 1 40 40 ILE N N 40 119.688 119.688 114.461 5.227 19682 3272 1 7 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.840 0.135 19682 3273 1 7 . 1 1 40 40 ILE C C 40 175.181 175.181 175.486 -0.305 19682 3274 1 7 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.154 -2.574 19682 3275 1 7 . 1 1 40 40 ILE CB C 40 39.694 39.694 37.735 1.959 19682 3276 1 7 . 1 1 40 40 ILE H H 40 8.000 8.000 8.118 -0.118 19682 3277 1 7 . 1 1 41 41 CYS N N 41 129.049 129.049 125.291 3.758 19682 3278 1 7 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.262 -0.290 19682 3279 1 7 . 1 1 41 41 CYS C C 41 177.197 177.197 176.391 0.806 19682 3280 1 7 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.823 0.234 19682 3281 1 7 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.096 5.278 19682 3282 1 7 . 1 1 41 41 CYS H H 41 7.990 7.990 8.614 -0.624 19682 3283 1 7 . 1 1 42 42 HIS N N 42 127.633 127.633 129.142 -1.509 19682 3284 1 7 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.383 -0.251 19682 3285 1 7 . 1 1 42 42 HIS C C 42 174.385 174.385 175.047 -0.662 19682 3286 1 7 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.298 -0.307 19682 3287 1 7 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.644 -0.944 19682 3288 1 7 . 1 1 42 42 HIS H H 42 8.933 8.933 8.659 0.274 19682 3289 1 7 . 1 1 43 43 ILE N N 43 119.482 119.482 118.024 1.458 19682 3290 1 7 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.058 0.107 19682 3291 1 7 . 1 1 43 43 ILE C C 43 176.673 176.673 176.529 0.144 19682 3292 1 7 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.729 -0.607 19682 3293 1 7 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.398 -1.063 19682 3294 1 7 . 1 1 43 43 ILE H H 43 8.944 8.944 7.848 1.096 19682 3295 1 7 . 1 1 44 44 CYS N N 44 117.996 117.996 117.127 0.869 19682 3296 1 7 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.481 0.403 19682 3297 1 7 . 1 1 44 44 CYS C C 44 176.008 176.008 176.424 -0.416 19682 3298 1 7 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.751 -0.750 19682 3299 1 7 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.509 2.546 19682 3300 1 7 . 1 1 44 44 CYS H H 44 8.221 8.221 8.200 0.021 19682 3301 1 7 . 1 1 45 45 ASN N N 45 117.410 117.410 116.107 1.303 19682 3302 1 7 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.277 0.110 19682 3303 1 7 . 1 1 45 45 ASN C C 45 173.893 173.893 175.555 -1.662 19682 3304 1 7 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.528 -0.514 19682 3305 1 7 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.196 0.658 19682 3306 1 7 . 1 1 45 45 ASN H H 45 8.040 8.040 8.866 -0.826 19682 3307 1 7 . 1 1 46 46 ARG N N 46 117.127 117.127 120.364 -3.237 19682 3308 1 7 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.349 0.371 19682 3309 1 7 . 1 1 46 46 ARG C C 46 176.865 176.865 177.769 -0.904 19682 3310 1 7 . 1 1 46 46 ARG CA C 46 55.427 55.427 56.692 -1.265 19682 3311 1 7 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.506 3.646 19682 3312 1 7 . 1 1 46 46 ARG H H 46 8.201 8.201 8.044 0.157 19682 3313 1 7 . 1 1 47 47 GLY N N 47 109.334 109.334 105.947 3.387 19682 3314 1 7 . 1 1 47 47 GLY C C 47 173.670 173.670 174.681 -1.011 19682 3315 1 7 . 1 1 47 47 GLY CA C 47 45.017 45.017 45.282 -0.266 19682 3316 1 7 . 1 1 47 47 GLY H H 47 8.902 8.902 8.118 0.784 19682 3317 1 7 . 1 1 48 48 ASP N N 48 117.908 117.908 121.418 -3.510 19682 3318 1 7 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.261 0.439 19682 3319 1 7 . 1 1 48 48 ASP C C 48 173.871 173.871 176.496 -2.625 19682 3320 1 7 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.310 -3.901 19682 3321 1 7 . 1 1 48 48 ASP CB C 48 40.859 40.859 40.412 0.447 19682 3322 1 7 . 1 1 48 48 ASP H H 48 8.046 8.046 8.101 -0.055 19682 3323 1 7 . 1 1 49 49 VAL N N 49 117.921 117.921 123.216 -5.295 19682 3324 1 7 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.109 -0.406 19682 3325 1 7 . 1 1 49 49 VAL C C 49 177.096 177.096 176.136 0.960 19682 3326 1 7 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.025 0.466 19682 3327 1 7 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.270 -0.847 19682 3328 1 7 . 1 1 49 49 VAL H H 49 8.772 8.772 7.987 0.785 19682 3329 1 7 . 1 1 50 50 GLU N N 50 120.434 120.434 127.465 -7.031 19682 3330 1 7 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.104 -0.272 19682 3331 1 7 . 1 1 50 50 GLU C C 50 178.779 178.779 178.433 0.346 19682 3332 1 7 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.392 0.528 19682 3333 1 7 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.985 -0.849 19682 3334 1 7 . 1 1 50 50 GLU H H 50 9.047 9.047 8.184 0.863 19682 3335 1 7 . 1 1 51 51 GLU N N 51 119.158 119.158 117.876 1.282 19682 3336 1 7 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.131 0.176 19682 3337 1 7 . 1 1 51 51 GLU C C 51 177.358 177.358 176.967 0.391 19682 3338 1 7 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.477 -0.221 19682 3339 1 7 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.494 -1.269 19682 3340 1 7 . 1 1 51 51 GLU H H 51 9.822 9.822 8.866 0.956 19682 3341 1 7 . 1 1 52 52 SER N N 52 116.430 116.430 112.836 3.594 19682 3342 1 7 . 1 1 52 52 SER HA H 52 4.716 4.716 4.651 0.065 19682 3343 1 7 . 1 1 52 52 SER C C 52 172.309 172.309 173.370 -1.061 19682 3344 1 7 . 1 1 52 52 SER CA C 52 57.745 57.745 58.084 -0.339 19682 3345 1 7 . 1 1 52 52 SER CB C 52 64.494 64.494 63.975 0.519 19682 3346 1 7 . 1 1 52 52 SER H H 52 8.291 8.291 7.885 0.406 19682 3347 1 7 . 1 1 53 53 MET N N 53 121.812 121.812 123.502 -1.690 19682 3348 1 7 . 1 1 53 53 MET HA H 53 4.577 4.577 4.509 0.068 19682 3349 1 7 . 1 1 53 53 MET C C 53 174.385 174.385 175.227 -0.842 19682 3350 1 7 . 1 1 53 53 MET CA C 53 54.784 54.784 55.376 -0.592 19682 3351 1 7 . 1 1 53 53 MET CB C 53 33.410 33.410 32.562 0.848 19682 3352 1 7 . 1 1 53 53 MET H H 53 7.648 7.648 7.433 0.215 19682 3353 1 7 . 1 1 54 54 LEU N N 54 128.167 128.167 127.486 0.681 19682 3354 1 7 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.273 -0.025 19682 3355 1 7 . 1 1 54 54 LEU C C 54 175.111 175.111 175.267 -0.156 19682 3356 1 7 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.877 -0.254 19682 3357 1 7 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.437 1.322 19682 3358 1 7 . 1 1 54 54 LEU H H 54 9.007 9.007 8.346 0.661 19682 3359 1 7 . 1 1 55 55 LEU N N 55 122.173 122.173 121.767 0.406 19682 3360 1 7 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.851 -0.046 19682 3361 1 7 . 1 1 55 55 LEU C C 55 176.260 176.260 176.297 -0.037 19682 3362 1 7 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.383 -0.136 19682 3363 1 7 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.394 -0.121 19682 3364 1 7 . 1 1 55 55 LEU H H 55 8.139 8.139 8.137 0.002 19682 3365 1 7 . 1 1 56 56 CYS N N 56 126.541 126.541 128.963 -2.422 19682 3366 1 7 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.818 -0.092 19682 3367 1 7 . 1 1 56 56 CYS C C 56 177.671 177.671 174.107 3.564 19682 3368 1 7 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.257 1.963 19682 3369 1 7 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.538 4.545 19682 3370 1 7 . 1 1 56 56 CYS H H 56 8.996 8.996 8.626 0.370 19682 3371 1 7 . 1 1 57 57 ASP N N 57 130.338 130.338 128.194 2.144 19682 3372 1 7 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.476 0.191 19682 3373 1 7 . 1 1 57 57 ASP C C 57 176.159 176.159 176.173 -0.014 19682 3374 1 7 . 1 1 57 57 ASP CA C 57 57.457 57.457 55.169 2.288 19682 3375 1 7 . 1 1 57 57 ASP CB C 57 42.201 42.201 40.463 1.738 19682 3376 1 7 . 1 1 57 57 ASP H H 57 9.373 9.373 8.229 1.144 19682 3377 1 7 . 1 1 58 58 GLY N N 58 114.137 114.137 112.977 1.160 19682 3378 1 7 . 1 1 58 58 GLY C C 58 174.801 174.801 174.779 0.022 19682 3379 1 7 . 1 1 58 58 GLY CA C 58 45.982 45.982 45.371 0.611 19682 3380 1 7 . 1 1 58 58 GLY H H 58 10.023 10.023 8.437 1.586 19682 3381 1 7 . 1 1 59 59 CYS N N 59 120.775 120.775 119.568 1.207 19682 3382 1 7 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.883 0.008 19682 3383 1 7 . 1 1 59 59 CYS C C 59 175.564 175.564 174.090 1.474 19682 3384 1 7 . 1 1 59 59 CYS CA C 59 58.741 58.741 56.925 1.816 19682 3385 1 7 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.420 3.659 19682 3386 1 7 . 1 1 59 59 CYS H H 59 8.132 8.132 7.951 0.181 19682 3387 1 7 . 1 1 60 60 ASP N N 60 119.232 119.232 123.089 -3.857 19682 3388 1 7 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.416 0.273 19682 3389 1 7 . 1 1 60 60 ASP C C 60 174.738 174.738 174.072 0.666 19682 3390 1 7 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.459 1.006 19682 3391 1 7 . 1 1 60 60 ASP CB C 60 41.041 41.041 39.747 1.294 19682 3392 1 7 . 1 1 60 60 ASP H H 60 8.085 8.085 8.134 -0.049 19682 3393 1 7 . 1 1 61 61 ASP N N 61 121.704 121.704 121.315 0.389 19682 3394 1 7 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.968 -0.119 19682 3395 1 7 . 1 1 61 61 ASP C C 61 175.454 175.454 174.674 0.780 19682 3396 1 7 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.294 2.200 19682 3397 1 7 . 1 1 61 61 ASP CB C 61 42.194 42.194 45.937 -3.743 19682 3398 1 7 . 1 1 61 61 ASP H H 61 8.703 8.703 7.874 0.829 19682 3399 1 7 . 1 1 62 62 SER N N 62 113.381 113.381 114.591 -1.210 19682 3400 1 7 . 1 1 62 62 SER HA H 62 5.703 5.703 5.566 0.137 19682 3401 1 7 . 1 1 62 62 SER C C 62 173.821 173.821 172.812 1.009 19682 3402 1 7 . 1 1 62 62 SER CA C 62 56.165 56.165 57.641 -1.476 19682 3403 1 7 . 1 1 62 62 SER CB C 62 65.275 65.275 65.819 -0.544 19682 3404 1 7 . 1 1 62 62 SER H H 62 8.313 8.313 8.423 -0.110 19682 3405 1 7 . 1 1 63 63 TYR N N 63 120.467 120.467 121.849 -1.382 19682 3406 1 7 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.642 0.709 19682 3407 1 7 . 1 1 63 63 TYR C C 63 175.393 175.393 175.013 0.380 19682 3408 1 7 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.848 -0.161 19682 3409 1 7 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.803 1.523 19682 3410 1 7 . 1 1 63 63 TYR H H 63 8.815 8.815 8.421 0.394 19682 3411 1 7 . 1 1 64 64 HIS N N 64 121.957 121.957 120.626 1.331 19682 3412 1 7 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.215 -0.365 19682 3413 1 7 . 1 1 64 64 HIS C C 64 178.559 178.559 177.334 1.225 19682 3414 1 7 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.386 2.104 19682 3415 1 7 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.443 0.593 19682 3416 1 7 . 1 1 64 64 HIS H H 64 9.276 9.276 7.931 1.345 19682 3417 1 7 . 1 1 65 65 THR N N 65 113.100 113.100 115.269 -2.169 19682 3418 1 7 . 1 1 65 65 THR HA H 65 3.603 3.603 4.018 -0.415 19682 3419 1 7 . 1 1 65 65 THR C C 65 176.824 176.824 175.265 1.559 19682 3420 1 7 . 1 1 65 65 THR CA C 65 64.805 64.805 65.779 -0.974 19682 3421 1 7 . 1 1 65 65 THR CB C 65 66.441 66.441 69.099 -2.658 19682 3422 1 7 . 1 1 65 65 THR H H 65 8.832 8.832 8.087 0.745 19682 3423 1 7 . 1 1 66 66 PHE N N 66 111.288 111.288 114.662 -3.374 19682 3424 1 7 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.890 -0.165 19682 3425 1 7 . 1 1 66 66 PHE C C 66 176.846 176.846 174.363 2.483 19682 3426 1 7 . 1 1 66 66 PHE CA C 66 56.215 56.215 55.698 0.517 19682 3427 1 7 . 1 1 66 66 PHE CB C 66 37.430 37.430 36.641 0.789 19682 3428 1 7 . 1 1 66 66 PHE H H 66 6.541 6.541 8.011 -1.470 19682 3429 1 7 . 1 1 67 67 CYS N N 67 123.228 123.228 117.745 5.483 19682 3430 1 7 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.528 -0.035 19682 3431 1 7 . 1 1 67 67 CYS C C 67 174.627 174.627 174.606 0.021 19682 3432 1 7 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.528 2.608 19682 3433 1 7 . 1 1 67 67 CYS CB C 67 30.603 30.603 30.661 -0.058 19682 3434 1 7 . 1 1 67 67 CYS H H 67 7.384 7.384 7.794 -0.410 19682 3435 1 7 . 1 1 68 68 LEU N N 68 119.645 119.645 123.655 -4.010 19682 3436 1 7 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.287 -0.160 19682 3437 1 7 . 1 1 68 68 LEU C C 68 174.738 174.738 175.748 -1.010 19682 3438 1 7 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.254 -0.243 19682 3439 1 7 . 1 1 68 68 LEU CB C 68 44.123 44.123 41.447 2.676 19682 3440 1 7 . 1 1 68 68 LEU H H 68 6.514 6.514 7.788 -1.274 19682 3441 1 7 . 1 1 69 69 LEU N N 69 119.803 119.803 123.761 -3.958 19682 3442 1 7 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.862 -0.179 19682 3443 1 7 . 1 1 69 69 LEU C C 69 174.879 174.879 175.951 -1.072 19682 3444 1 7 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.547 -1.330 19682 3445 1 7 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.015 3.320 19682 3446 1 7 . 1 1 69 69 LEU H H 69 8.050 8.050 8.173 -0.123 19682 3447 1 7 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.755 0.279 19682 3448 1 7 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.602 0.442 19682 3449 1 7 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.294 1.739 19682 3450 1 7 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.555 -0.107 19682 3451 1 7 . 1 1 71 71 PRO C C 71 177.632 177.632 176.969 0.663 19682 3452 1 7 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.981 0.007 19682 3453 1 7 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.292 -0.163 19682 3454 1 7 . 1 1 72 72 LEU N N 72 121.033 121.033 127.164 -6.131 19682 3455 1 7 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.170 0.476 19682 3456 1 7 . 1 1 72 72 LEU C C 72 177.983 177.983 177.452 0.531 19682 3457 1 7 . 1 1 72 72 LEU CA C 72 54.037 54.037 55.088 -1.051 19682 3458 1 7 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.007 3.377 19682 3459 1 7 . 1 1 72 72 LEU H H 72 7.660 7.660 8.396 -0.736 19682 3460 1 7 . 1 1 73 73 THR N N 73 112.645 112.645 117.773 -5.128 19682 3461 1 7 . 1 1 73 73 THR HA H 73 4.289 4.289 4.106 0.183 19682 3462 1 7 . 1 1 73 73 THR C C 73 174.305 174.305 174.542 -0.237 19682 3463 1 7 . 1 1 73 73 THR CA C 73 62.324 62.324 64.394 -2.070 19682 3464 1 7 . 1 1 73 73 THR CB C 73 69.019 69.019 68.972 0.047 19682 3465 1 7 . 1 1 73 73 THR H H 73 8.694 8.694 8.281 0.413 19682 3466 1 7 . 1 1 74 74 SER N N 74 114.234 114.234 117.217 -2.983 19682 3467 1 7 . 1 1 74 74 SER HA H 74 4.584 4.584 4.565 0.019 19682 3468 1 7 . 1 1 74 74 SER C C 74 172.833 172.833 173.847 -1.014 19682 3469 1 7 . 1 1 74 74 SER CA C 74 56.827 56.827 57.516 -0.689 19682 3470 1 7 . 1 1 74 74 SER CB C 74 64.678 64.678 64.315 0.363 19682 3471 1 7 . 1 1 74 74 SER H H 74 7.503 7.503 7.708 -0.205 19682 3472 1 7 . 1 1 75 75 ILE N N 75 123.720 123.720 125.215 -1.495 19682 3473 1 7 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.326 -0.247 19682 3474 1 7 . 1 1 75 75 ILE C C 75 174.819 174.819 174.910 -0.091 19682 3475 1 7 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.016 -0.408 19682 3476 1 7 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.712 0.076 19682 3477 1 7 . 1 1 75 75 ILE H H 75 8.498 8.498 8.348 0.150 19682 3478 1 7 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.565 -0.157 19682 3479 1 7 . 1 1 76 76 PRO C C 76 176.339 176.339 176.512 -0.173 19682 3480 1 7 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.679 0.325 19682 3481 1 7 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.241 -0.105 19682 3482 1 7 . 1 1 77 77 LYS N N 77 121.662 121.662 124.647 -2.985 19682 3483 1 7 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.254 0.081 19682 3484 1 7 . 1 1 77 77 LYS C C 77 177.278 177.278 177.705 -0.427 19682 3485 1 7 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.874 -0.576 19682 3486 1 7 . 1 1 77 77 LYS CB C 77 32.777 32.777 32.517 0.261 19682 3487 1 7 . 1 1 77 77 LYS H H 77 8.516 8.516 8.524 -0.008 19682 3488 1 7 . 1 1 78 78 GLY N N 78 110.250 110.250 108.982 1.268 19682 3489 1 7 . 1 1 78 78 GLY C C 78 172.995 172.995 174.191 -1.196 19682 3490 1 7 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.399 0.147 19682 3491 1 7 . 1 1 78 78 GLY H H 78 8.150 8.150 7.751 0.399 19682 3492 1 7 . 1 1 79 79 GLU N N 79 121.820 121.820 120.367 1.453 19682 3493 1 7 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.281 0.088 19682 3494 1 7 . 1 1 79 79 GLU C C 79 175.847 175.847 175.822 0.025 19682 3495 1 7 . 1 1 79 79 GLU CA C 79 56.977 56.977 57.186 -0.209 19682 3496 1 7 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.170 0.468 19682 3497 1 7 . 1 1 79 79 GLU H H 79 8.342 8.342 8.392 -0.050 19682 3498 1 7 . 1 1 80 80 TRP N N 80 126.690 126.690 127.030 -0.340 19682 3499 1 7 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.980 -0.466 19682 3500 1 7 . 1 1 80 80 TRP C C 80 172.733 172.733 174.034 -1.301 19682 3501 1 7 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.899 2.669 19682 3502 1 7 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.973 -1.564 19682 3503 1 7 . 1 1 80 80 TRP H H 80 9.370 9.370 8.740 0.630 19682 3504 1 7 . 1 1 81 81 LEU N N 81 125.572 125.572 126.130 -0.558 19682 3505 1 7 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.148 0.873 19682 3506 1 7 . 1 1 81 81 LEU C C 81 174.617 174.617 175.269 -0.652 19682 3507 1 7 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.482 -1.048 19682 3508 1 7 . 1 1 81 81 LEU CB C 81 44.860 44.860 45.178 -0.318 19682 3509 1 7 . 1 1 81 81 LEU H H 81 6.540 6.540 7.714 -1.174 19682 3510 1 7 . 1 1 82 82 CYS N N 82 125.868 125.868 119.672 6.196 19682 3511 1 7 . 1 1 82 82 CYS HA H 82 3.529 3.529 4.195 -0.666 19682 3512 1 7 . 1 1 82 82 CYS C C 82 172.652 172.652 175.128 -2.476 19682 3513 1 7 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.082 1.480 19682 3514 1 7 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.572 2.973 19682 3515 1 7 . 1 1 82 82 CYS H H 82 9.086 9.086 8.005 1.081 19682 3516 1 7 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.936 0.132 19682 3517 1 7 . 1 1 83 83 PRO C C 83 178.541 178.541 178.605 -0.064 19682 3518 1 7 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.613 -0.346 19682 3519 1 7 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.720 0.489 19682 3520 1 7 . 1 1 84 84 ARG N N 84 117.140 117.140 118.751 -1.611 19682 3521 1 7 . 1 1 84 84 ARG HA H 84 4.197 4.197 3.941 0.256 19682 3522 1 7 . 1 1 84 84 ARG C C 84 177.983 177.983 177.856 0.127 19682 3523 1 7 . 1 1 84 84 ARG CA C 84 58.537 58.537 59.358 -0.821 19682 3524 1 7 . 1 1 84 84 ARG CB C 84 30.815 30.815 30.057 0.758 19682 3525 1 7 . 1 1 84 84 ARG H H 84 8.041 8.041 8.401 -0.360 19682 3526 1 7 . 1 1 85 85 CYS N N 85 123.417 123.417 116.567 6.850 19682 3527 1 7 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.401 -0.498 19682 3528 1 7 . 1 1 85 85 CYS C C 85 177.298 177.298 177.362 -0.064 19682 3529 1 7 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.167 3.001 19682 3530 1 7 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.429 3.609 19682 3531 1 7 . 1 1 85 85 CYS H H 85 8.210 8.210 7.786 0.424 19682 3532 1 7 . 1 1 86 86 VAL N N 86 118.037 118.037 120.566 -2.529 19682 3533 1 7 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.641 -0.001 19682 3534 1 7 . 1 1 86 86 VAL C C 86 176.623 176.623 177.340 -0.717 19682 3535 1 7 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.983 -1.475 19682 3536 1 7 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.496 0.306 19682 3537 1 7 . 1 1 86 86 VAL H H 86 7.951 7.951 7.602 0.349 19682 3538 1 7 . 1 1 87 87 VAL N N 87 119.227 119.227 119.081 0.146 19682 3539 1 7 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.890 0.086 19682 3540 1 7 . 1 1 87 87 VAL C C 87 176.774 176.774 177.828 -1.054 19682 3541 1 7 . 1 1 87 87 VAL CA C 87 63.182 63.182 65.809 -2.627 19682 3542 1 7 . 1 1 87 87 VAL CB C 87 32.210 32.210 32.219 -0.009 19682 3543 1 7 . 1 1 87 87 VAL H H 87 7.255 7.255 7.521 -0.266 19682 3544 1 7 . 1 1 88 88 GLU N N 88 122.469 122.469 119.227 3.242 19682 3545 1 7 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.164 0.035 19682 3546 1 7 . 1 1 88 88 GLU C C 88 176.623 176.623 177.993 -1.370 19682 3547 1 7 . 1 1 88 88 GLU CA C 88 56.950 56.950 58.285 -1.335 19682 3548 1 7 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.424 0.666 19682 3549 1 7 . 1 1 88 88 GLU H H 88 7.986 7.986 7.920 0.066 19682 3550 1 7 . 1 1 89 89 GLU N N 89 121.343 121.343 117.784 3.559 19682 3551 1 7 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.218 -0.029 19682 3552 1 7 . 1 1 89 89 GLU C C 89 176.744 176.744 176.551 0.193 19682 3553 1 7 . 1 1 89 89 GLU CA C 89 56.956 56.956 57.472 -0.516 19682 3554 1 7 . 1 1 89 89 GLU CB C 89 29.912 29.912 30.436 -0.524 19682 3555 1 7 . 1 1 89 89 GLU H H 89 8.168 8.168 7.738 0.430 19682 3556 1 7 . 1 1 90 90 VAL N N 90 120.127 120.127 119.231 0.896 19682 3557 1 7 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.535 -0.451 19682 3558 1 7 . 1 1 90 90 VAL C C 90 176.290 176.290 174.571 1.719 19682 3559 1 7 . 1 1 90 90 VAL CA C 90 62.592 62.592 61.083 1.509 19682 3560 1 7 . 1 1 90 90 VAL CB C 90 32.527 32.527 34.618 -2.091 19682 3561 1 7 . 1 1 90 90 VAL H H 90 8.027 8.027 7.430 0.597 19682 3562 1 7 . 1 1 91 91 SER N N 91 118.678 118.678 121.955 -3.277 19682 3563 1 7 . 1 1 91 91 SER HA H 91 4.439 4.439 4.672 -0.233 19682 3564 1 7 . 1 1 91 91 SER C C 91 173.932 173.932 174.243 -0.311 19682 3565 1 7 . 1 1 91 91 SER CA C 91 58.189 58.189 57.977 0.212 19682 3566 1 7 . 1 1 91 91 SER CB C 91 63.706 63.706 63.765 -0.059 19682 3567 1 7 . 1 1 91 91 SER H H 91 8.222 8.222 8.539 -0.317 19682 3568 1 7 . 1 1 92 92 LYS N N 92 124.547 124.547 122.073 2.474 19682 3569 1 7 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.120 0.487 19682 3570 1 7 . 1 1 92 92 LYS C C 92 174.395 174.395 174.094 0.301 19682 3571 1 7 . 1 1 92 92 LYS CA C 92 54.272 54.272 56.460 -2.188 19682 3572 1 7 . 1 1 92 92 LYS CB C 92 32.646 32.646 31.416 1.230 19682 3573 1 7 . 1 1 92 92 LYS H H 92 8.165 8.165 8.286 -0.121 19682 3574 1 7 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.277 0.142 19682 3575 1 7 . 1 1 93 93 PRO C C 93 176.194 176.194 176.090 0.104 19682 3576 1 7 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.946 -0.528 19682 3577 1 7 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.777 0.119 19682 3578 1 8 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.831 -0.081 19682 3579 1 8 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.129 1.163 19682 3580 1 8 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.331 0.227 19682 3581 1 8 . 1 1 2 2 HIS H H 2 8.134 8.134 8.018 0.116 19682 3582 1 8 . 1 1 3 3 MET N N 3 123.164 123.164 121.498 1.666 19682 3583 1 8 . 1 1 3 3 MET HA H 3 4.494 4.494 4.468 0.026 19682 3584 1 8 . 1 1 3 3 MET C C 3 176.078 176.078 175.904 0.174 19682 3585 1 8 . 1 1 3 3 MET CA C 3 55.504 55.504 55.592 -0.088 19682 3586 1 8 . 1 1 3 3 MET CB C 3 32.860 32.860 32.044 0.817 19682 3587 1 8 . 1 1 3 3 MET H H 3 8.419 8.419 8.342 0.077 19682 3588 1 8 . 1 1 4 4 SER N N 4 117.403 117.403 118.658 -1.255 19682 3589 1 8 . 1 1 4 4 SER HA H 4 4.439 4.439 4.607 -0.168 19682 3590 1 8 . 1 1 4 4 SER C C 4 175.011 175.011 175.049 -0.038 19682 3591 1 8 . 1 1 4 4 SER CA C 4 58.516 58.516 57.032 1.484 19682 3592 1 8 . 1 1 4 4 SER CB C 4 63.773 63.773 64.287 -0.514 19682 3593 1 8 . 1 1 4 4 SER H H 4 8.416 8.416 8.246 0.170 19682 3594 1 8 . 1 1 5 5 GLY N N 5 111.174 111.174 110.008 1.166 19682 3595 1 8 . 1 1 5 5 GLY C C 5 174.567 174.567 175.300 -0.733 19682 3596 1 8 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.784 0.401 19682 3597 1 8 . 1 1 5 5 GLY H H 5 8.475 8.475 8.809 -0.334 19682 3598 1 8 . 1 1 6 6 GLY N N 6 108.594 108.594 110.235 -1.641 19682 3599 1 8 . 1 1 6 6 GLY C C 6 173.781 173.781 174.639 -0.858 19682 3600 1 8 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.426 -0.443 19682 3601 1 8 . 1 1 6 6 GLY H H 6 8.274 8.274 7.940 0.334 19682 3602 1 8 . 1 1 7 7 SER N N 7 116.558 116.558 117.075 -0.517 19682 3603 1 8 . 1 1 7 7 SER C C 7 172.995 172.995 172.340 0.655 19682 3604 1 8 . 1 1 7 7 SER CA C 7 56.387 56.387 56.950 -0.563 19682 3605 1 8 . 1 1 7 7 SER CB C 7 63.508 63.508 65.659 -2.151 19682 3606 1 8 . 1 1 7 7 SER H H 7 8.220 8.220 7.995 0.225 19682 3607 1 8 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.661 -0.207 19682 3608 1 8 . 1 1 8 8 PRO C C 8 176.864 176.864 176.348 0.516 19682 3609 1 8 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.442 0.907 19682 3610 1 8 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.216 -0.206 19682 3611 1 8 . 1 1 9 9 LEU N N 9 121.497 121.497 120.375 1.122 19682 3612 1 8 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.342 -0.038 19682 3613 1 8 . 1 1 9 9 LEU C C 9 177.237 177.237 177.501 -0.264 19682 3614 1 8 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.581 0.442 19682 3615 1 8 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.765 0.588 19682 3616 1 8 . 1 1 9 9 LEU H H 9 8.196 8.196 8.216 -0.020 19682 3617 1 8 . 1 1 10 10 ALA N N 10 124.964 124.964 128.696 -3.732 19682 3618 1 8 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.378 0.024 19682 3619 1 8 . 1 1 10 10 ALA C C 10 177.812 177.812 177.207 0.605 19682 3620 1 8 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.821 0.587 19682 3621 1 8 . 1 1 10 10 ALA CB C 10 19.238 19.238 17.897 1.341 19682 3622 1 8 . 1 1 10 10 ALA H H 10 8.242 8.242 8.616 -0.374 19682 3623 1 8 . 1 1 11 11 THR N N 11 112.852 112.852 116.031 -3.179 19682 3624 1 8 . 1 1 11 11 THR HA H 11 4.341 4.341 4.310 0.031 19682 3625 1 8 . 1 1 11 11 THR C C 11 175.181 175.181 175.288 -0.107 19682 3626 1 8 . 1 1 11 11 THR CA C 11 61.870 61.870 61.892 -0.022 19682 3627 1 8 . 1 1 11 11 THR CB C 11 69.622 69.622 69.585 0.037 19682 3628 1 8 . 1 1 11 11 THR H H 11 8.081 8.081 7.881 0.200 19682 3629 1 8 . 1 1 12 12 GLY N N 12 110.929 110.929 111.439 -0.510 19682 3630 1 8 . 1 1 12 12 GLY C C 12 174.395 174.395 173.269 1.126 19682 3631 1 8 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.099 0.277 19682 3632 1 8 . 1 1 12 12 GLY H H 12 8.408 8.408 8.329 0.079 19682 3633 1 8 . 1 1 13 13 THR N N 13 113.482 113.482 118.266 -4.784 19682 3634 1 8 . 1 1 13 13 THR HA H 13 4.445 4.445 4.607 -0.162 19682 3635 1 8 . 1 1 13 13 THR C C 13 174.889 174.889 173.733 1.156 19682 3636 1 8 . 1 1 13 13 THR CA C 13 61.816 61.816 62.258 -0.442 19682 3637 1 8 . 1 1 13 13 THR CB C 13 69.812 69.812 69.487 0.325 19682 3638 1 8 . 1 1 13 13 THR H H 13 8.130 8.130 8.095 0.035 19682 3639 1 8 . 1 1 14 14 THR N N 14 116.080 116.080 120.586 -4.506 19682 3640 1 8 . 1 1 14 14 THR HA H 14 4.370 4.370 4.457 -0.087 19682 3641 1 8 . 1 1 14 14 THR C C 14 174.385 174.385 173.676 0.709 19682 3642 1 8 . 1 1 14 14 THR CA C 14 61.788 61.788 61.675 0.113 19682 3643 1 8 . 1 1 14 14 THR CB C 14 69.696 69.696 70.239 -0.543 19682 3644 1 8 . 1 1 14 14 THR H H 14 8.199 8.199 8.334 -0.135 19682 3645 1 8 . 1 1 15 15 ALA N N 15 126.054 126.054 126.248 -0.194 19682 3646 1 8 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.291 0.010 19682 3647 1 8 . 1 1 15 15 ALA C C 15 177.469 177.469 177.808 -0.339 19682 3648 1 8 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.981 0.865 19682 3649 1 8 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.345 -0.161 19682 3650 1 8 . 1 1 15 15 ALA H H 15 8.349 8.349 8.312 0.037 19682 3651 1 8 . 1 1 16 16 ASN N N 16 117.718 117.718 121.382 -3.664 19682 3652 1 8 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.592 0.152 19682 3653 1 8 . 1 1 16 16 ASN C C 16 175.575 175.575 175.389 0.186 19682 3654 1 8 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.356 -0.159 19682 3655 1 8 . 1 1 16 16 ASN CB C 16 38.732 38.732 38.804 -0.072 19682 3656 1 8 . 1 1 16 16 ASN H H 16 8.403 8.403 8.549 -0.146 19682 3657 1 8 . 1 1 17 17 THR N N 17 114.153 114.153 119.612 -5.459 19682 3658 1 8 . 1 1 17 17 THR HA H 17 4.312 4.312 4.382 -0.070 19682 3659 1 8 . 1 1 17 17 THR C C 17 174.799 174.799 174.533 0.266 19682 3660 1 8 . 1 1 17 17 THR CA C 17 61.973 61.973 62.201 -0.228 19682 3661 1 8 . 1 1 17 17 THR CB C 17 69.624 69.624 68.433 1.191 19682 3662 1 8 . 1 1 17 17 THR H H 17 8.081 8.081 8.404 -0.323 19682 3663 1 8 . 1 1 18 18 ARG N N 18 122.990 122.990 126.833 -3.843 19682 3664 1 8 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.541 -0.216 19682 3665 1 8 . 1 1 18 18 ARG C C 18 176.875 176.875 175.754 1.121 19682 3666 1 8 . 1 1 18 18 ARG CA C 18 56.551 56.551 56.004 0.547 19682 3667 1 8 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.320 -0.733 19682 3668 1 8 . 1 1 18 18 ARG H H 18 8.351 8.351 7.794 0.557 19682 3669 1 8 . 1 1 19 19 GLY N N 19 109.993 109.993 109.600 0.393 19682 3670 1 8 . 1 1 19 19 GLY C C 19 174.002 174.002 174.362 -0.360 19682 3671 1 8 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.343 0.971 19682 3672 1 8 . 1 1 19 19 GLY H H 19 8.394 8.394 8.334 0.060 19682 3673 1 8 . 1 1 20 20 ALA N N 20 123.732 123.732 125.849 -2.117 19682 3674 1 8 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.517 -0.175 19682 3675 1 8 . 1 1 20 20 ALA C C 20 178.034 178.034 177.621 0.413 19682 3676 1 8 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.511 1.139 19682 3677 1 8 . 1 1 20 20 ALA CB C 20 19.221 19.221 18.747 0.474 19682 3678 1 8 . 1 1 20 20 ALA H H 20 8.185 8.185 8.304 -0.119 19682 3679 1 8 . 1 1 21 21 SER N N 21 114.750 114.750 119.909 -5.159 19682 3680 1 8 . 1 1 21 21 SER HA H 21 4.419 4.419 4.629 -0.210 19682 3681 1 8 . 1 1 21 21 SER C C 21 174.627 174.627 174.625 0.002 19682 3682 1 8 . 1 1 21 21 SER CA C 21 58.495 58.495 58.093 0.402 19682 3683 1 8 . 1 1 21 21 SER CB C 21 63.697 63.697 64.075 -0.378 19682 3684 1 8 . 1 1 21 21 SER H H 21 8.319 8.319 8.357 -0.038 19682 3685 1 8 . 1 1 22 22 GLN N N 22 122.092 122.092 122.445 -0.353 19682 3686 1 8 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.379 -0.035 19682 3687 1 8 . 1 1 22 22 GLN C C 22 175.857 175.857 175.252 0.605 19682 3688 1 8 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.916 -0.141 19682 3689 1 8 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.846 0.552 19682 3690 1 8 . 1 1 22 22 GLN H H 22 8.343 8.343 8.743 -0.400 19682 3691 1 8 . 1 1 23 23 LYS N N 23 122.663 122.663 119.489 3.174 19682 3692 1 8 . 1 1 23 23 LYS HA H 23 4.297 4.297 3.966 0.331 19682 3693 1 8 . 1 1 23 23 LYS C C 23 176.502 176.502 175.665 0.837 19682 3694 1 8 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.495 -0.180 19682 3695 1 8 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.749 0.299 19682 3696 1 8 . 1 1 23 23 LYS H H 23 8.309 8.309 8.132 0.177 19682 3697 1 8 . 1 1 24 24 LYS N N 24 123.434 123.434 118.772 4.662 19682 3698 1 8 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.091 0.235 19682 3699 1 8 . 1 1 24 24 LYS C C 24 177.026 177.026 176.645 0.381 19682 3700 1 8 . 1 1 24 24 LYS CA C 24 56.359 56.359 57.033 -0.674 19682 3701 1 8 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.207 0.786 19682 3702 1 8 . 1 1 24 24 LYS H H 24 8.469 8.469 8.476 -0.007 19682 3703 1 8 . 1 1 25 25 GLY N N 25 110.813 110.813 107.572 3.241 19682 3704 1 8 . 1 1 25 25 GLY C C 25 174.476 174.476 175.536 -1.060 19682 3705 1 8 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.783 0.491 19682 3706 1 8 . 1 1 25 25 GLY H H 25 8.531 8.531 8.763 -0.232 19682 3707 1 8 . 1 1 26 26 GLY N N 26 108.690 108.690 108.245 0.445 19682 3708 1 8 . 1 1 26 26 GLY C C 26 173.851 173.851 173.512 0.339 19682 3709 1 8 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.774 0.295 19682 3710 1 8 . 1 1 26 26 GLY H H 26 8.279 8.279 8.698 -0.419 19682 3711 1 8 . 1 1 27 27 GLU N N 27 121.707 121.707 122.162 -0.455 19682 3712 1 8 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.553 0.031 19682 3713 1 8 . 1 1 27 27 GLU C C 27 174.204 174.204 174.711 -0.507 19682 3714 1 8 . 1 1 27 27 GLU CA C 27 54.440 54.440 53.742 0.698 19682 3715 1 8 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.430 -0.993 19682 3716 1 8 . 1 1 27 27 GLU H H 27 8.321 8.321 7.672 0.649 19682 3717 1 8 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.653 -0.259 19682 3718 1 8 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.600 1.211 19682 3719 1 8 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.674 0.484 19682 3720 1 8 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.348 0.049 19682 3721 1 8 . 1 1 29 29 PRO C C 29 176.462 176.462 175.600 0.862 19682 3722 1 8 . 1 1 29 29 PRO CA C 29 62.844 62.844 63.638 -0.794 19682 3723 1 8 . 1 1 29 29 PRO CB C 29 31.961 31.961 29.761 2.200 19682 3724 1 8 . 1 1 30 30 ALA N N 30 123.850 123.850 124.255 -0.405 19682 3725 1 8 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.339 -0.065 19682 3726 1 8 . 1 1 30 30 ALA C C 30 177.368 177.368 176.447 0.921 19682 3727 1 8 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.420 -0.163 19682 3728 1 8 . 1 1 30 30 ALA CB C 30 19.237 19.237 20.289 -1.052 19682 3729 1 8 . 1 1 30 30 ALA H H 30 8.290 8.290 8.313 -0.023 19682 3730 1 8 . 1 1 31 31 LEU N N 31 121.430 121.430 122.988 -1.558 19682 3731 1 8 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.461 -0.128 19682 3732 1 8 . 1 1 31 31 LEU C C 31 176.804 176.804 175.988 0.816 19682 3733 1 8 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.608 0.407 19682 3734 1 8 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.092 0.352 19682 3735 1 8 . 1 1 31 31 LEU H H 31 8.139 8.139 7.996 0.143 19682 3736 1 8 . 1 1 32 32 ILE N N 32 123.070 123.070 128.051 -4.981 19682 3737 1 8 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.988 0.180 19682 3738 1 8 . 1 1 32 32 ILE C C 32 175.887 175.887 176.074 -0.187 19682 3739 1 8 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.396 -0.706 19682 3740 1 8 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.562 1.915 19682 3741 1 8 . 1 1 32 32 ILE H H 32 8.140 8.140 8.336 -0.196 19682 3742 1 8 . 1 1 33 33 VAL N N 33 124.923 124.923 128.283 -3.360 19682 3743 1 8 . 1 1 33 33 VAL HA H 33 4.087 4.087 3.996 0.091 19682 3744 1 8 . 1 1 33 33 VAL C C 33 175.232 175.232 175.657 -0.425 19682 3745 1 8 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.273 -0.422 19682 3746 1 8 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.832 0.088 19682 3747 1 8 . 1 1 33 33 VAL H H 33 8.198 8.198 7.767 0.431 19682 3748 1 8 . 1 1 34 34 ASP N N 34 125.813 125.813 126.245 -0.432 19682 3749 1 8 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.493 0.367 19682 3750 1 8 . 1 1 34 34 ASP C C 34 174.919 174.919 175.412 -0.493 19682 3751 1 8 . 1 1 34 34 ASP CA C 34 51.926 51.926 54.768 -2.842 19682 3752 1 8 . 1 1 34 34 ASP CB C 34 41.504 41.504 40.425 1.079 19682 3753 1 8 . 1 1 34 34 ASP H H 34 8.336 8.336 8.486 -0.150 19682 3754 1 8 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.241 0.123 19682 3755 1 8 . 1 1 35 35 PRO C C 35 177.091 177.091 177.434 -0.343 19682 3756 1 8 . 1 1 35 35 PRO CA C 35 63.514 63.514 64.315 -0.801 19682 3757 1 8 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.119 0.054 19682 3758 1 8 . 1 1 36 36 LEU N N 36 119.977 119.977 115.797 4.180 19682 3759 1 8 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.330 -0.074 19682 3760 1 8 . 1 1 36 36 LEU C C 36 177.479 177.479 176.956 0.523 19682 3761 1 8 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.536 0.690 19682 3762 1 8 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.254 -0.619 19682 3763 1 8 . 1 1 36 36 LEU H H 36 8.316 8.316 7.647 0.669 19682 3764 1 8 . 1 1 37 37 MET N N 37 120.231 120.231 117.797 2.434 19682 3765 1 8 . 1 1 37 37 MET HA H 37 4.326 4.326 4.088 0.238 19682 3766 1 8 . 1 1 37 37 MET C C 37 175.171 175.171 174.767 0.404 19682 3767 1 8 . 1 1 37 37 MET CA C 37 55.160 55.160 55.845 -0.685 19682 3768 1 8 . 1 1 37 37 MET CB C 37 32.514 32.514 32.197 0.317 19682 3769 1 8 . 1 1 37 37 MET H H 37 7.893 7.893 7.800 0.093 19682 3770 1 8 . 1 1 38 38 LYS N N 38 122.361 122.361 122.472 -0.111 19682 3771 1 8 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.344 -0.184 19682 3772 1 8 . 1 1 38 38 LYS C C 38 175.837 175.837 175.512 0.325 19682 3773 1 8 . 1 1 38 38 LYS CA C 38 56.105 56.105 56.367 -0.263 19682 3774 1 8 . 1 1 38 38 LYS CB C 38 33.214 33.214 33.183 0.031 19682 3775 1 8 . 1 1 38 38 LYS H H 38 7.929 7.929 7.829 0.100 19682 3776 1 8 . 1 1 39 39 TYR N N 39 120.347 120.347 118.503 1.844 19682 3777 1 8 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.240 0.330 19682 3778 1 8 . 1 1 39 39 TYR C C 39 174.325 174.325 174.702 -0.377 19682 3779 1 8 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.263 -0.839 19682 3780 1 8 . 1 1 39 39 TYR CB C 39 38.609 38.609 36.137 2.472 19682 3781 1 8 . 1 1 39 39 TYR H H 39 8.020 8.020 7.840 0.180 19682 3782 1 8 . 1 1 40 40 ILE N N 40 119.688 119.688 117.857 1.831 19682 3783 1 8 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.157 -0.182 19682 3784 1 8 . 1 1 40 40 ILE C C 40 175.181 175.181 175.715 -0.534 19682 3785 1 8 . 1 1 40 40 ILE CA C 40 58.580 58.580 59.780 -1.200 19682 3786 1 8 . 1 1 40 40 ILE CB C 40 39.694 39.694 40.605 -0.910 19682 3787 1 8 . 1 1 40 40 ILE H H 40 8.000 8.000 7.528 0.472 19682 3788 1 8 . 1 1 41 41 CYS N N 41 129.049 129.049 125.046 4.003 19682 3789 1 8 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.148 -0.176 19682 3790 1 8 . 1 1 41 41 CYS C C 41 177.197 177.197 176.280 0.917 19682 3791 1 8 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.891 0.166 19682 3792 1 8 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.450 5.924 19682 3793 1 8 . 1 1 41 41 CYS H H 41 7.990 7.990 8.841 -0.851 19682 3794 1 8 . 1 1 42 42 HIS N N 42 127.633 127.633 128.990 -1.357 19682 3795 1 8 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.332 -0.200 19682 3796 1 8 . 1 1 42 42 HIS C C 42 174.385 174.385 175.186 -0.801 19682 3797 1 8 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.541 0.450 19682 3798 1 8 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.516 -0.816 19682 3799 1 8 . 1 1 42 42 HIS H H 42 8.933 8.933 8.753 0.180 19682 3800 1 8 . 1 1 43 43 ILE N N 43 119.482 119.482 117.702 1.780 19682 3801 1 8 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.139 0.026 19682 3802 1 8 . 1 1 43 43 ILE C C 43 176.673 176.673 176.411 0.262 19682 3803 1 8 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.476 -0.354 19682 3804 1 8 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.704 -1.370 19682 3805 1 8 . 1 1 43 43 ILE H H 43 8.944 8.944 7.834 1.110 19682 3806 1 8 . 1 1 44 44 CYS N N 44 117.996 117.996 118.034 -0.038 19682 3807 1 8 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.591 0.293 19682 3808 1 8 . 1 1 44 44 CYS C C 44 176.008 176.008 176.452 -0.444 19682 3809 1 8 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.580 -0.579 19682 3810 1 8 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.799 3.256 19682 3811 1 8 . 1 1 44 44 CYS H H 44 8.221 8.221 8.328 -0.107 19682 3812 1 8 . 1 1 45 45 ASN N N 45 117.410 117.410 117.517 -0.107 19682 3813 1 8 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.414 -0.027 19682 3814 1 8 . 1 1 45 45 ASN C C 45 173.893 173.893 174.369 -0.476 19682 3815 1 8 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.657 -0.643 19682 3816 1 8 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.571 0.283 19682 3817 1 8 . 1 1 45 45 ASN H H 45 8.040 8.040 8.748 -0.708 19682 3818 1 8 . 1 1 46 46 ARG N N 46 117.127 117.127 120.139 -3.012 19682 3819 1 8 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.542 0.178 19682 3820 1 8 . 1 1 46 46 ARG C C 46 176.865 176.865 176.981 -0.116 19682 3821 1 8 . 1 1 46 46 ARG CA C 46 55.427 55.427 55.071 0.356 19682 3822 1 8 . 1 1 46 46 ARG CB C 46 34.152 34.152 31.291 2.861 19682 3823 1 8 . 1 1 46 46 ARG H H 46 8.201 8.201 7.757 0.444 19682 3824 1 8 . 1 1 47 47 GLY N N 47 109.334 109.334 108.899 0.435 19682 3825 1 8 . 1 1 47 47 GLY C C 47 173.670 173.670 174.626 -0.956 19682 3826 1 8 . 1 1 47 47 GLY CA C 47 45.017 45.017 46.387 -1.370 19682 3827 1 8 . 1 1 47 47 GLY H H 47 8.902 8.902 8.632 0.270 19682 3828 1 8 . 1 1 48 48 ASP N N 48 117.908 117.908 118.620 -0.712 19682 3829 1 8 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.347 0.353 19682 3830 1 8 . 1 1 48 48 ASP C C 48 173.871 173.871 175.792 -1.921 19682 3831 1 8 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.460 -4.051 19682 3832 1 8 . 1 1 48 48 ASP CB C 48 40.859 40.859 40.543 0.316 19682 3833 1 8 . 1 1 48 48 ASP H H 48 8.046 8.046 8.439 -0.393 19682 3834 1 8 . 1 1 49 49 VAL N N 49 117.921 117.921 122.717 -4.796 19682 3835 1 8 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.317 -0.614 19682 3836 1 8 . 1 1 49 49 VAL C C 49 177.096 177.096 176.168 0.928 19682 3837 1 8 . 1 1 49 49 VAL CA C 49 62.491 62.491 61.686 0.805 19682 3838 1 8 . 1 1 49 49 VAL CB C 49 29.423 29.423 32.383 -2.960 19682 3839 1 8 . 1 1 49 49 VAL H H 49 8.772 8.772 8.065 0.707 19682 3840 1 8 . 1 1 50 50 GLU N N 50 120.434 120.434 127.240 -6.806 19682 3841 1 8 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.083 -0.251 19682 3842 1 8 . 1 1 50 50 GLU C C 50 178.779 178.779 177.786 0.993 19682 3843 1 8 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.974 0.946 19682 3844 1 8 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.484 -0.347 19682 3845 1 8 . 1 1 50 50 GLU H H 50 9.047 9.047 9.009 0.038 19682 3846 1 8 . 1 1 51 51 GLU N N 51 119.158 119.158 119.897 -0.739 19682 3847 1 8 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.170 0.137 19682 3848 1 8 . 1 1 51 51 GLU C C 51 177.358 177.358 177.398 -0.040 19682 3849 1 8 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.214 0.042 19682 3850 1 8 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.564 -1.339 19682 3851 1 8 . 1 1 51 51 GLU H H 51 9.822 9.822 8.836 0.986 19682 3852 1 8 . 1 1 52 52 SER N N 52 116.430 116.430 113.105 3.325 19682 3853 1 8 . 1 1 52 52 SER HA H 52 4.716 4.716 4.709 0.007 19682 3854 1 8 . 1 1 52 52 SER C C 52 172.309 172.309 172.871 -0.562 19682 3855 1 8 . 1 1 52 52 SER CA C 52 57.745 57.745 57.604 0.141 19682 3856 1 8 . 1 1 52 52 SER CB C 52 64.494 64.494 63.991 0.503 19682 3857 1 8 . 1 1 52 52 SER H H 52 8.291 8.291 7.790 0.501 19682 3858 1 8 . 1 1 53 53 MET N N 53 121.812 121.812 123.910 -2.098 19682 3859 1 8 . 1 1 53 53 MET HA H 53 4.577 4.577 4.409 0.168 19682 3860 1 8 . 1 1 53 53 MET C C 53 174.385 174.385 175.292 -0.907 19682 3861 1 8 . 1 1 53 53 MET CA C 53 54.784 54.784 55.599 -0.815 19682 3862 1 8 . 1 1 53 53 MET CB C 53 33.410 33.410 32.599 0.811 19682 3863 1 8 . 1 1 53 53 MET H H 53 7.648 7.648 7.255 0.393 19682 3864 1 8 . 1 1 54 54 LEU N N 54 128.167 128.167 128.203 -0.036 19682 3865 1 8 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.341 -0.093 19682 3866 1 8 . 1 1 54 54 LEU C C 54 175.111 175.111 175.449 -0.338 19682 3867 1 8 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.715 -0.092 19682 3868 1 8 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.370 1.389 19682 3869 1 8 . 1 1 54 54 LEU H H 54 9.007 9.007 8.584 0.423 19682 3870 1 8 . 1 1 55 55 LEU N N 55 122.173 122.173 123.179 -1.006 19682 3871 1 8 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.730 0.075 19682 3872 1 8 . 1 1 55 55 LEU C C 55 176.260 176.260 175.783 0.477 19682 3873 1 8 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.521 -0.274 19682 3874 1 8 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.743 -0.470 19682 3875 1 8 . 1 1 55 55 LEU H H 55 8.139 8.139 8.148 -0.009 19682 3876 1 8 . 1 1 56 56 CYS N N 56 126.541 126.541 128.680 -2.139 19682 3877 1 8 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.707 0.019 19682 3878 1 8 . 1 1 56 56 CYS C C 56 177.671 177.671 176.390 1.281 19682 3879 1 8 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.576 1.644 19682 3880 1 8 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.084 3.999 19682 3881 1 8 . 1 1 56 56 CYS H H 56 8.996 8.996 8.708 0.288 19682 3882 1 8 . 1 1 57 57 ASP N N 57 130.338 130.338 129.286 1.052 19682 3883 1 8 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.412 0.255 19682 3884 1 8 . 1 1 57 57 ASP C C 57 176.159 176.159 177.425 -1.266 19682 3885 1 8 . 1 1 57 57 ASP CA C 57 57.457 57.457 57.182 0.275 19682 3886 1 8 . 1 1 57 57 ASP CB C 57 42.201 42.201 40.978 1.223 19682 3887 1 8 . 1 1 57 57 ASP H H 57 9.373 9.373 8.508 0.865 19682 3888 1 8 . 1 1 58 58 GLY N N 58 114.137 114.137 105.883 8.254 19682 3889 1 8 . 1 1 58 58 GLY C C 58 174.801 174.801 173.278 1.523 19682 3890 1 8 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.710 1.272 19682 3891 1 8 . 1 1 58 58 GLY H H 58 10.023 10.023 8.416 1.607 19682 3892 1 8 . 1 1 59 59 CYS N N 59 120.775 120.775 117.484 3.291 19682 3893 1 8 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.598 0.293 19682 3894 1 8 . 1 1 59 59 CYS C C 59 175.564 175.564 172.584 2.980 19682 3895 1 8 . 1 1 59 59 CYS CA C 59 58.741 58.741 58.295 0.446 19682 3896 1 8 . 1 1 59 59 CYS CB C 59 33.079 33.079 30.555 2.524 19682 3897 1 8 . 1 1 59 59 CYS H H 59 8.132 8.132 7.330 0.802 19682 3898 1 8 . 1 1 60 60 ASP N N 60 119.232 119.232 120.286 -1.054 19682 3899 1 8 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.658 0.031 19682 3900 1 8 . 1 1 60 60 ASP C C 60 174.738 174.738 176.032 -1.294 19682 3901 1 8 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.839 1.626 19682 3902 1 8 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.405 -0.364 19682 3903 1 8 . 1 1 60 60 ASP H H 60 8.085 8.085 8.529 -0.444 19682 3904 1 8 . 1 1 61 61 ASP N N 61 121.704 121.704 120.397 1.307 19682 3905 1 8 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.453 0.396 19682 3906 1 8 . 1 1 61 61 ASP C C 61 175.454 175.454 175.188 0.266 19682 3907 1 8 . 1 1 61 61 ASP CA C 61 55.493 55.493 55.773 -0.280 19682 3908 1 8 . 1 1 61 61 ASP CB C 61 42.194 42.194 41.702 0.492 19682 3909 1 8 . 1 1 61 61 ASP H H 61 8.703 8.703 7.988 0.715 19682 3910 1 8 . 1 1 62 62 SER N N 62 113.381 113.381 115.091 -1.710 19682 3911 1 8 . 1 1 62 62 SER HA H 62 5.703 5.703 5.312 0.391 19682 3912 1 8 . 1 1 62 62 SER C C 62 173.821 173.821 172.883 0.938 19682 3913 1 8 . 1 1 62 62 SER CA C 62 56.165 56.165 57.067 -0.902 19682 3914 1 8 . 1 1 62 62 SER CB C 62 65.275 65.275 66.348 -1.073 19682 3915 1 8 . 1 1 62 62 SER H H 62 8.313 8.313 7.994 0.319 19682 3916 1 8 . 1 1 63 63 TYR N N 63 120.467 120.467 119.389 1.078 19682 3917 1 8 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.604 0.747 19682 3918 1 8 . 1 1 63 63 TYR C C 63 175.393 175.393 174.710 0.683 19682 3919 1 8 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.961 -0.274 19682 3920 1 8 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.852 1.474 19682 3921 1 8 . 1 1 63 63 TYR H H 63 8.815 8.815 8.505 0.310 19682 3922 1 8 . 1 1 64 64 HIS N N 64 121.957 121.957 119.932 2.025 19682 3923 1 8 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.082 -0.232 19682 3924 1 8 . 1 1 64 64 HIS C C 64 178.559 178.559 177.214 1.345 19682 3925 1 8 . 1 1 64 64 HIS CA C 64 57.490 57.490 54.794 2.696 19682 3926 1 8 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.850 0.186 19682 3927 1 8 . 1 1 64 64 HIS H H 64 9.276 9.276 8.110 1.166 19682 3928 1 8 . 1 1 65 65 THR N N 65 113.100 113.100 114.671 -1.571 19682 3929 1 8 . 1 1 65 65 THR HA H 65 3.603 3.603 3.922 -0.319 19682 3930 1 8 . 1 1 65 65 THR C C 65 176.824 176.824 175.019 1.805 19682 3931 1 8 . 1 1 65 65 THR CA C 65 64.805 64.805 65.857 -1.052 19682 3932 1 8 . 1 1 65 65 THR CB C 65 66.441 66.441 68.959 -2.518 19682 3933 1 8 . 1 1 65 65 THR H H 65 8.832 8.832 7.779 1.053 19682 3934 1 8 . 1 1 66 66 PHE N N 66 111.288 111.288 114.284 -2.996 19682 3935 1 8 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.923 -0.198 19682 3936 1 8 . 1 1 66 66 PHE C C 66 176.846 176.846 174.597 2.249 19682 3937 1 8 . 1 1 66 66 PHE CA C 66 56.215 56.215 55.873 0.342 19682 3938 1 8 . 1 1 66 66 PHE CB C 66 37.430 37.430 36.584 0.846 19682 3939 1 8 . 1 1 66 66 PHE H H 66 6.541 6.541 7.488 -0.947 19682 3940 1 8 . 1 1 67 67 CYS N N 67 123.228 123.228 117.718 5.510 19682 3941 1 8 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.565 -0.072 19682 3942 1 8 . 1 1 67 67 CYS C C 67 174.627 174.627 175.418 -0.791 19682 3943 1 8 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.266 2.870 19682 3944 1 8 . 1 1 67 67 CYS CB C 67 30.603 30.603 29.851 0.752 19682 3945 1 8 . 1 1 67 67 CYS H H 67 7.384 7.384 7.618 -0.234 19682 3946 1 8 . 1 1 68 68 LEU N N 68 119.645 119.645 121.148 -1.503 19682 3947 1 8 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.200 -0.073 19682 3948 1 8 . 1 1 68 68 LEU C C 68 174.738 174.738 175.543 -0.805 19682 3949 1 8 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.650 -0.639 19682 3950 1 8 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.477 1.647 19682 3951 1 8 . 1 1 68 68 LEU H H 68 6.514 6.514 7.896 -1.382 19682 3952 1 8 . 1 1 69 69 LEU N N 69 119.803 119.803 122.207 -2.404 19682 3953 1 8 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.691 -0.008 19682 3954 1 8 . 1 1 69 69 LEU C C 69 174.879 174.879 175.766 -0.887 19682 3955 1 8 . 1 1 69 69 LEU CA C 69 51.217 51.217 53.015 -1.798 19682 3956 1 8 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.982 2.353 19682 3957 1 8 . 1 1 69 69 LEU H H 69 8.050 8.050 8.086 -0.036 19682 3958 1 8 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.853 0.181 19682 3959 1 8 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.203 0.842 19682 3960 1 8 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.930 1.103 19682 3961 1 8 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.630 -0.182 19682 3962 1 8 . 1 1 71 71 PRO C C 71 177.632 177.632 176.679 0.953 19682 3963 1 8 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.639 0.349 19682 3964 1 8 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.621 -0.492 19682 3965 1 8 . 1 1 72 72 LEU N N 72 121.033 121.033 126.803 -5.770 19682 3966 1 8 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.217 0.429 19682 3967 1 8 . 1 1 72 72 LEU C C 72 177.983 177.983 177.218 0.765 19682 3968 1 8 . 1 1 72 72 LEU CA C 72 54.037 54.037 55.255 -1.218 19682 3969 1 8 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.818 2.566 19682 3970 1 8 . 1 1 72 72 LEU H H 72 7.660 7.660 8.333 -0.673 19682 3971 1 8 . 1 1 73 73 THR N N 73 112.645 112.645 115.751 -3.106 19682 3972 1 8 . 1 1 73 73 THR HA H 73 4.289 4.289 4.415 -0.126 19682 3973 1 8 . 1 1 73 73 THR C C 73 174.305 174.305 174.632 -0.327 19682 3974 1 8 . 1 1 73 73 THR CA C 73 62.324 62.324 62.677 -0.353 19682 3975 1 8 . 1 1 73 73 THR CB C 73 69.019 69.019 68.776 0.243 19682 3976 1 8 . 1 1 73 73 THR H H 73 8.694 8.694 8.491 0.203 19682 3977 1 8 . 1 1 74 74 SER N N 74 114.234 114.234 115.969 -1.735 19682 3978 1 8 . 1 1 74 74 SER HA H 74 4.584 4.584 4.669 -0.085 19682 3979 1 8 . 1 1 74 74 SER C C 74 172.833 172.833 173.052 -0.219 19682 3980 1 8 . 1 1 74 74 SER CA C 74 56.827 56.827 57.442 -0.615 19682 3981 1 8 . 1 1 74 74 SER CB C 74 64.678 64.678 65.712 -1.034 19682 3982 1 8 . 1 1 74 74 SER H H 74 7.503 7.503 7.533 -0.030 19682 3983 1 8 . 1 1 75 75 ILE N N 75 123.720 123.720 123.983 -0.263 19682 3984 1 8 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.228 -0.149 19682 3985 1 8 . 1 1 75 75 ILE C C 75 174.819 174.819 174.808 0.011 19682 3986 1 8 . 1 1 75 75 ILE CA C 75 58.608 58.608 57.899 0.709 19682 3987 1 8 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.222 0.566 19682 3988 1 8 . 1 1 75 75 ILE H H 75 8.498 8.498 8.395 0.103 19682 3989 1 8 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.456 -0.048 19682 3990 1 8 . 1 1 76 76 PRO C C 76 176.339 176.339 176.082 0.257 19682 3991 1 8 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.767 0.237 19682 3992 1 8 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.522 0.614 19682 3993 1 8 . 1 1 77 77 LYS N N 77 121.662 121.662 124.870 -3.208 19682 3994 1 8 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.447 -0.112 19682 3995 1 8 . 1 1 77 77 LYS C C 77 177.278 177.278 176.773 0.505 19682 3996 1 8 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.371 -0.073 19682 3997 1 8 . 1 1 77 77 LYS CB C 77 32.777 32.777 32.618 0.159 19682 3998 1 8 . 1 1 77 77 LYS H H 77 8.516 8.516 8.599 -0.083 19682 3999 1 8 . 1 1 78 78 GLY N N 78 110.250 110.250 113.671 -3.421 19682 4000 1 8 . 1 1 78 78 GLY C C 78 172.995 172.995 172.993 0.002 19682 4001 1 8 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.757 -0.211 19682 4002 1 8 . 1 1 78 78 GLY H H 78 8.150 8.150 8.339 -0.189 19682 4003 1 8 . 1 1 79 79 GLU N N 79 121.820 121.820 122.163 -0.343 19682 4004 1 8 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.593 -0.224 19682 4005 1 8 . 1 1 79 79 GLU C C 79 175.847 175.847 175.262 0.585 19682 4006 1 8 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.150 0.827 19682 4007 1 8 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.290 0.348 19682 4008 1 8 . 1 1 79 79 GLU H H 79 8.342 8.342 8.420 -0.078 19682 4009 1 8 . 1 1 80 80 TRP N N 80 126.690 126.690 127.135 -0.445 19682 4010 1 8 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.969 -0.455 19682 4011 1 8 . 1 1 80 80 TRP C C 80 172.733 172.733 174.197 -1.464 19682 4012 1 8 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.853 2.715 19682 4013 1 8 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.064 -0.655 19682 4014 1 8 . 1 1 80 80 TRP H H 80 9.370 9.370 8.734 0.636 19682 4015 1 8 . 1 1 81 81 LEU N N 81 125.572 125.572 126.713 -1.141 19682 4016 1 8 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.179 0.842 19682 4017 1 8 . 1 1 81 81 LEU C C 81 174.617 174.617 175.196 -0.579 19682 4018 1 8 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.833 -1.399 19682 4019 1 8 . 1 1 81 81 LEU CB C 81 44.860 44.860 44.217 0.643 19682 4020 1 8 . 1 1 81 81 LEU H H 81 6.540 6.540 7.849 -1.309 19682 4021 1 8 . 1 1 82 82 CYS N N 82 125.868 125.868 119.856 6.012 19682 4022 1 8 . 1 1 82 82 CYS HA H 82 3.529 3.529 4.075 -0.546 19682 4023 1 8 . 1 1 82 82 CYS C C 82 172.652 172.652 175.166 -2.514 19682 4024 1 8 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.543 1.019 19682 4025 1 8 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.577 2.967 19682 4026 1 8 . 1 1 82 82 CYS H H 82 9.086 9.086 7.973 1.113 19682 4027 1 8 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.995 0.073 19682 4028 1 8 . 1 1 83 83 PRO C C 83 178.541 178.541 178.631 -0.090 19682 4029 1 8 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.553 -0.286 19682 4030 1 8 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.724 0.485 19682 4031 1 8 . 1 1 84 84 ARG N N 84 117.140 117.140 118.261 -1.121 19682 4032 1 8 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.160 0.037 19682 4033 1 8 . 1 1 84 84 ARG C C 84 177.983 177.983 178.042 -0.059 19682 4034 1 8 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.930 -0.393 19682 4035 1 8 . 1 1 84 84 ARG CB C 84 30.815 30.815 30.190 0.625 19682 4036 1 8 . 1 1 84 84 ARG H H 84 8.041 8.041 8.500 -0.459 19682 4037 1 8 . 1 1 85 85 CYS N N 85 123.417 123.417 117.477 5.940 19682 4038 1 8 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.207 -0.304 19682 4039 1 8 . 1 1 85 85 CYS C C 85 177.298 177.298 177.148 0.150 19682 4040 1 8 . 1 1 85 85 CYS CA C 85 64.168 64.168 62.017 2.151 19682 4041 1 8 . 1 1 85 85 CYS CB C 85 30.038 30.038 25.957 4.081 19682 4042 1 8 . 1 1 85 85 CYS H H 85 8.210 8.210 7.556 0.654 19682 4043 1 8 . 1 1 86 86 VAL N N 86 118.037 118.037 120.879 -2.842 19682 4044 1 8 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.570 0.070 19682 4045 1 8 . 1 1 86 86 VAL C C 86 176.623 176.623 177.720 -1.097 19682 4046 1 8 . 1 1 86 86 VAL CA C 86 64.508 64.508 66.672 -2.164 19682 4047 1 8 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.301 0.501 19682 4048 1 8 . 1 1 86 86 VAL H H 86 7.951 7.951 7.341 0.610 19682 4049 1 8 . 1 1 87 87 VAL N N 87 119.227 119.227 117.577 1.650 19682 4050 1 8 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.696 0.280 19682 4051 1 8 . 1 1 87 87 VAL C C 87 176.774 176.774 177.557 -0.783 19682 4052 1 8 . 1 1 87 87 VAL CA C 87 63.182 63.182 65.169 -1.987 19682 4053 1 8 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.610 0.600 19682 4054 1 8 . 1 1 87 87 VAL H H 87 7.255 7.255 7.139 0.116 19682 4055 1 8 . 1 1 88 88 GLU N N 88 122.469 122.469 118.253 4.216 19682 4056 1 8 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.187 0.012 19682 4057 1 8 . 1 1 88 88 GLU C C 88 176.623 176.623 176.398 0.225 19682 4058 1 8 . 1 1 88 88 GLU CA C 88 56.950 56.950 57.200 -0.250 19682 4059 1 8 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.362 -0.272 19682 4060 1 8 . 1 1 88 88 GLU H H 88 7.986 7.986 7.659 0.328 19682 4061 1 8 . 1 1 89 89 GLU N N 89 121.343 121.343 116.830 4.513 19682 4062 1 8 . 1 1 89 89 GLU HA H 89 4.189 4.189 3.958 0.231 19682 4063 1 8 . 1 1 89 89 GLU C C 89 176.744 176.744 176.120 0.624 19682 4064 1 8 . 1 1 89 89 GLU CA C 89 56.956 56.956 57.343 -0.387 19682 4065 1 8 . 1 1 89 89 GLU CB C 89 29.912 29.912 28.429 1.483 19682 4066 1 8 . 1 1 89 89 GLU H H 89 8.168 8.168 7.774 0.394 19682 4067 1 8 . 1 1 90 90 VAL N N 90 120.127 120.127 121.925 -1.798 19682 4068 1 8 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.223 -0.139 19682 4069 1 8 . 1 1 90 90 VAL C C 90 176.290 176.290 176.176 0.114 19682 4070 1 8 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.106 0.486 19682 4071 1 8 . 1 1 90 90 VAL CB C 90 32.527 32.527 29.930 2.597 19682 4072 1 8 . 1 1 90 90 VAL H H 90 8.027 8.027 8.421 -0.394 19682 4073 1 8 . 1 1 91 91 SER N N 91 118.678 118.678 124.211 -5.533 19682 4074 1 8 . 1 1 91 91 SER HA H 91 4.439 4.439 4.445 -0.006 19682 4075 1 8 . 1 1 91 91 SER C C 91 173.932 173.932 173.298 0.634 19682 4076 1 8 . 1 1 91 91 SER CA C 91 58.189 58.189 59.228 -1.039 19682 4077 1 8 . 1 1 91 91 SER CB C 91 63.706 63.706 62.658 1.048 19682 4078 1 8 . 1 1 91 91 SER H H 91 8.222 8.222 8.699 -0.477 19682 4079 1 8 . 1 1 92 92 LYS N N 92 124.547 124.547 124.316 0.231 19682 4080 1 8 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.610 -0.003 19682 4081 1 8 . 1 1 92 92 LYS C C 92 174.395 174.395 173.869 0.526 19682 4082 1 8 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.604 -0.332 19682 4083 1 8 . 1 1 92 92 LYS CB C 92 32.646 32.646 34.382 -1.736 19682 4084 1 8 . 1 1 92 92 LYS H H 92 8.165 8.165 7.719 0.446 19682 4085 1 8 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.632 -0.213 19682 4086 1 8 . 1 1 93 93 PRO C C 93 176.194 176.194 176.121 0.073 19682 4087 1 8 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.032 0.386 19682 4088 1 8 . 1 1 93 93 PRO CB C 93 31.896 31.896 30.494 1.402 19682 4089 1 9 . 1 1 2 2 HIS HA H 2 4.750 4.750 5.008 -0.258 19682 4090 1 9 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.798 0.494 19682 4091 1 9 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.624 -0.066 19682 4092 1 9 . 1 1 2 2 HIS H H 2 8.134 8.134 8.486 -0.352 19682 4093 1 9 . 1 1 3 3 MET N N 3 123.164 123.164 122.769 0.395 19682 4094 1 9 . 1 1 3 3 MET HA H 3 4.494 4.494 4.649 -0.155 19682 4095 1 9 . 1 1 3 3 MET C C 3 176.078 176.078 176.846 -0.768 19682 4096 1 9 . 1 1 3 3 MET CA C 3 55.504 55.504 55.393 0.111 19682 4097 1 9 . 1 1 3 3 MET CB C 3 32.860 32.860 33.313 -0.453 19682 4098 1 9 . 1 1 3 3 MET H H 3 8.419 8.419 8.483 -0.064 19682 4099 1 9 . 1 1 4 4 SER N N 4 117.403 117.403 116.661 0.742 19682 4100 1 9 . 1 1 4 4 SER HA H 4 4.439 4.439 4.250 0.189 19682 4101 1 9 . 1 1 4 4 SER C C 4 175.011 175.011 175.242 -0.231 19682 4102 1 9 . 1 1 4 4 SER CA C 4 58.516 58.516 59.685 -1.169 19682 4103 1 9 . 1 1 4 4 SER CB C 4 63.773 63.773 62.474 1.299 19682 4104 1 9 . 1 1 4 4 SER H H 4 8.416 8.416 8.484 -0.068 19682 4105 1 9 . 1 1 5 5 GLY N N 5 111.174 111.174 115.560 -4.386 19682 4106 1 9 . 1 1 5 5 GLY C C 5 174.567 174.567 174.118 0.449 19682 4107 1 9 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.649 0.536 19682 4108 1 9 . 1 1 5 5 GLY H H 5 8.475 8.475 8.500 -0.025 19682 4109 1 9 . 1 1 6 6 GLY N N 6 108.594 108.594 110.162 -1.568 19682 4110 1 9 . 1 1 6 6 GLY C C 6 173.781 173.781 173.652 0.129 19682 4111 1 9 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.654 -0.671 19682 4112 1 9 . 1 1 6 6 GLY H H 6 8.274 8.274 7.760 0.514 19682 4113 1 9 . 1 1 7 7 SER N N 7 116.558 116.558 118.526 -1.968 19682 4114 1 9 . 1 1 7 7 SER C C 7 172.995 172.995 172.487 0.508 19682 4115 1 9 . 1 1 7 7 SER CA C 7 56.387 56.387 56.053 0.334 19682 4116 1 9 . 1 1 7 7 SER CB C 7 63.508 63.508 65.590 -2.082 19682 4117 1 9 . 1 1 7 7 SER H H 7 8.220 8.220 8.174 0.046 19682 4118 1 9 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.538 -0.084 19682 4119 1 9 . 1 1 8 8 PRO C C 8 176.864 176.864 176.404 0.460 19682 4120 1 9 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.876 0.473 19682 4121 1 9 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.201 -0.191 19682 4122 1 9 . 1 1 9 9 LEU N N 9 121.497 121.497 125.219 -3.722 19682 4123 1 9 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.278 0.026 19682 4124 1 9 . 1 1 9 9 LEU C C 9 177.237 177.237 177.189 0.048 19682 4125 1 9 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.617 0.406 19682 4126 1 9 . 1 1 9 9 LEU CB C 9 42.353 42.353 40.547 1.806 19682 4127 1 9 . 1 1 9 9 LEU H H 9 8.196 8.196 8.512 -0.316 19682 4128 1 9 . 1 1 10 10 ALA N N 10 124.964 124.964 129.847 -4.883 19682 4129 1 9 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.410 -0.008 19682 4130 1 9 . 1 1 10 10 ALA C C 10 177.812 177.812 177.577 0.235 19682 4131 1 9 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.811 0.597 19682 4132 1 9 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.180 1.058 19682 4133 1 9 . 1 1 10 10 ALA H H 10 8.242 8.242 8.425 -0.183 19682 4134 1 9 . 1 1 11 11 THR N N 11 112.852 112.852 116.638 -3.786 19682 4135 1 9 . 1 1 11 11 THR HA H 11 4.341 4.341 4.359 -0.018 19682 4136 1 9 . 1 1 11 11 THR C C 11 175.181 175.181 174.801 0.380 19682 4137 1 9 . 1 1 11 11 THR CA C 11 61.870 61.870 61.665 0.205 19682 4138 1 9 . 1 1 11 11 THR CB C 11 69.622 69.622 67.992 1.630 19682 4139 1 9 . 1 1 11 11 THR H H 11 8.081 8.081 7.907 0.174 19682 4140 1 9 . 1 1 12 12 GLY N N 12 110.929 110.929 113.325 -2.396 19682 4141 1 9 . 1 1 12 12 GLY C C 12 174.395 174.395 173.589 0.806 19682 4142 1 9 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.126 0.250 19682 4143 1 9 . 1 1 12 12 GLY H H 12 8.408 8.408 8.000 0.408 19682 4144 1 9 . 1 1 13 13 THR N N 13 113.482 113.482 114.371 -0.889 19682 4145 1 9 . 1 1 13 13 THR HA H 13 4.445 4.445 4.643 -0.198 19682 4146 1 9 . 1 1 13 13 THR C C 13 174.889 174.889 174.091 0.798 19682 4147 1 9 . 1 1 13 13 THR CA C 13 61.816 61.816 61.596 0.220 19682 4148 1 9 . 1 1 13 13 THR CB C 13 69.812 69.812 70.321 -0.509 19682 4149 1 9 . 1 1 13 13 THR H H 13 8.130 8.130 8.121 0.009 19682 4150 1 9 . 1 1 14 14 THR N N 14 116.080 116.080 114.745 1.335 19682 4151 1 9 . 1 1 14 14 THR HA H 14 4.370 4.370 4.875 -0.505 19682 4152 1 9 . 1 1 14 14 THR C C 14 174.385 174.385 172.506 1.879 19682 4153 1 9 . 1 1 14 14 THR CA C 14 61.788 61.788 60.663 1.125 19682 4154 1 9 . 1 1 14 14 THR CB C 14 69.696 69.696 69.926 -0.230 19682 4155 1 9 . 1 1 14 14 THR H H 14 8.199 8.199 8.691 -0.492 19682 4156 1 9 . 1 1 15 15 ALA N N 15 126.054 126.054 125.698 0.356 19682 4157 1 9 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.377 -0.076 19682 4158 1 9 . 1 1 15 15 ALA C C 15 177.469 177.469 175.867 1.602 19682 4159 1 9 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.820 1.026 19682 4160 1 9 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.655 -0.471 19682 4161 1 9 . 1 1 15 15 ALA H H 15 8.349 8.349 8.495 -0.146 19682 4162 1 9 . 1 1 16 16 ASN N N 16 117.718 117.718 123.391 -5.673 19682 4163 1 9 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.714 0.030 19682 4164 1 9 . 1 1 16 16 ASN C C 16 175.575 175.575 175.012 0.563 19682 4165 1 9 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.976 0.221 19682 4166 1 9 . 1 1 16 16 ASN CB C 16 38.732 38.732 38.466 0.266 19682 4167 1 9 . 1 1 16 16 ASN H H 16 8.403 8.403 8.555 -0.152 19682 4168 1 9 . 1 1 17 17 THR N N 17 114.153 114.153 118.182 -4.029 19682 4169 1 9 . 1 1 17 17 THR HA H 17 4.312 4.312 4.409 -0.097 19682 4170 1 9 . 1 1 17 17 THR C C 17 174.799 174.799 174.440 0.359 19682 4171 1 9 . 1 1 17 17 THR CA C 17 61.973 61.973 61.506 0.467 19682 4172 1 9 . 1 1 17 17 THR CB C 17 69.624 69.624 68.768 0.856 19682 4173 1 9 . 1 1 17 17 THR H H 17 8.081 8.081 8.043 0.038 19682 4174 1 9 . 1 1 18 18 ARG N N 18 122.990 122.990 126.945 -3.955 19682 4175 1 9 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.539 -0.214 19682 4176 1 9 . 1 1 18 18 ARG C C 18 176.875 176.875 175.918 0.957 19682 4177 1 9 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.858 0.693 19682 4178 1 9 . 1 1 18 18 ARG CB C 18 30.587 30.587 29.928 0.659 19682 4179 1 9 . 1 1 18 18 ARG H H 18 8.351 8.351 8.317 0.034 19682 4180 1 9 . 1 1 19 19 GLY N N 19 109.993 109.993 113.359 -3.366 19682 4181 1 9 . 1 1 19 19 GLY C C 19 174.002 174.002 174.433 -0.431 19682 4182 1 9 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.688 -0.374 19682 4183 1 9 . 1 1 19 19 GLY H H 19 8.394 8.394 8.664 -0.270 19682 4184 1 9 . 1 1 20 20 ALA N N 20 123.732 123.732 123.480 0.252 19682 4185 1 9 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.276 0.066 19682 4186 1 9 . 1 1 20 20 ALA C C 20 178.034 178.034 178.195 -0.161 19682 4187 1 9 . 1 1 20 20 ALA CA C 20 52.650 52.650 53.203 -0.553 19682 4188 1 9 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.065 0.156 19682 4189 1 9 . 1 1 20 20 ALA H H 20 8.185 8.185 8.348 -0.163 19682 4190 1 9 . 1 1 21 21 SER N N 21 114.750 114.750 113.895 0.855 19682 4191 1 9 . 1 1 21 21 SER HA H 21 4.419 4.419 4.261 0.158 19682 4192 1 9 . 1 1 21 21 SER C C 21 174.627 174.627 175.040 -0.413 19682 4193 1 9 . 1 1 21 21 SER CA C 21 58.495 58.495 59.392 -0.897 19682 4194 1 9 . 1 1 21 21 SER CB C 21 63.697 63.697 62.878 0.819 19682 4195 1 9 . 1 1 21 21 SER H H 21 8.319 8.319 7.966 0.353 19682 4196 1 9 . 1 1 22 22 GLN N N 22 122.092 122.092 122.946 -0.854 19682 4197 1 9 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.216 0.128 19682 4198 1 9 . 1 1 22 22 GLN C C 22 175.857 175.857 175.543 0.314 19682 4199 1 9 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.235 -0.460 19682 4200 1 9 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.620 0.778 19682 4201 1 9 . 1 1 22 22 GLN H H 22 8.343 8.343 7.755 0.588 19682 4202 1 9 . 1 1 23 23 LYS N N 23 122.663 122.663 124.257 -1.594 19682 4203 1 9 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.488 -0.191 19682 4204 1 9 . 1 1 23 23 LYS C C 23 176.502 176.502 176.228 0.274 19682 4205 1 9 . 1 1 23 23 LYS CA C 23 56.315 56.315 55.974 0.341 19682 4206 1 9 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.456 0.592 19682 4207 1 9 . 1 1 23 23 LYS H H 23 8.309 8.309 8.143 0.166 19682 4208 1 9 . 1 1 24 24 LYS N N 24 123.434 123.434 120.954 2.480 19682 4209 1 9 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.303 0.023 19682 4210 1 9 . 1 1 24 24 LYS C C 24 177.026 177.026 176.658 0.368 19682 4211 1 9 . 1 1 24 24 LYS CA C 24 56.359 56.359 57.114 -0.755 19682 4212 1 9 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.660 0.333 19682 4213 1 9 . 1 1 24 24 LYS H H 24 8.469 8.469 7.792 0.677 19682 4214 1 9 . 1 1 25 25 GLY N N 25 110.813 110.813 111.520 -0.707 19682 4215 1 9 . 1 1 25 25 GLY C C 25 174.476 174.476 174.062 0.414 19682 4216 1 9 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.555 0.719 19682 4217 1 9 . 1 1 25 25 GLY H H 25 8.531 8.531 8.752 -0.221 19682 4218 1 9 . 1 1 26 26 GLY N N 26 108.690 108.690 108.657 0.033 19682 4219 1 9 . 1 1 26 26 GLY C C 26 173.851 173.851 174.325 -0.474 19682 4220 1 9 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.767 0.301 19682 4221 1 9 . 1 1 26 26 GLY H H 26 8.279 8.279 8.292 -0.013 19682 4222 1 9 . 1 1 27 27 GLU N N 27 121.707 121.707 122.220 -0.513 19682 4223 1 9 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.517 0.067 19682 4224 1 9 . 1 1 27 27 GLU C C 27 174.204 174.204 174.954 -0.750 19682 4225 1 9 . 1 1 27 27 GLU CA C 27 54.440 54.440 55.091 -0.651 19682 4226 1 9 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.720 -1.283 19682 4227 1 9 . 1 1 27 27 GLU H H 27 8.321 8.321 8.580 -0.259 19682 4228 1 9 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.570 -0.176 19682 4229 1 9 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.660 1.151 19682 4230 1 9 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.330 0.828 19682 4231 1 9 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.386 0.011 19682 4232 1 9 . 1 1 29 29 PRO C C 29 176.462 176.462 175.990 0.472 19682 4233 1 9 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.839 0.005 19682 4234 1 9 . 1 1 29 29 PRO CB C 29 31.961 31.961 30.860 1.101 19682 4235 1 9 . 1 1 30 30 ALA N N 30 123.850 123.850 128.302 -4.452 19682 4236 1 9 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.374 -0.100 19682 4237 1 9 . 1 1 30 30 ALA C C 30 177.368 177.368 176.422 0.946 19682 4238 1 9 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.468 -0.211 19682 4239 1 9 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.382 -0.145 19682 4240 1 9 . 1 1 30 30 ALA H H 30 8.290 8.290 8.214 0.076 19682 4241 1 9 . 1 1 31 31 LEU N N 31 121.430 121.430 121.983 -0.553 19682 4242 1 9 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.953 -0.620 19682 4243 1 9 . 1 1 31 31 LEU C C 31 176.804 176.804 175.563 1.241 19682 4244 1 9 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.008 1.007 19682 4245 1 9 . 1 1 31 31 LEU CB C 31 42.444 42.444 43.138 -0.694 19682 4246 1 9 . 1 1 31 31 LEU H H 31 8.139 8.139 8.239 -0.100 19682 4247 1 9 . 1 1 32 32 ILE N N 32 123.070 123.070 118.566 4.504 19682 4248 1 9 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.573 -0.405 19682 4249 1 9 . 1 1 32 32 ILE C C 32 175.887 175.887 174.368 1.519 19682 4250 1 9 . 1 1 32 32 ILE CA C 32 60.690 60.690 60.390 0.300 19682 4251 1 9 . 1 1 32 32 ILE CB C 32 38.477 38.477 39.748 -1.270 19682 4252 1 9 . 1 1 32 32 ILE H H 32 8.140 8.140 8.246 -0.106 19682 4253 1 9 . 1 1 33 33 VAL N N 33 124.923 124.923 123.556 1.367 19682 4254 1 9 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.287 -0.200 19682 4255 1 9 . 1 1 33 33 VAL C C 33 175.232 175.232 174.955 0.277 19682 4256 1 9 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.478 -0.627 19682 4257 1 9 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.794 0.126 19682 4258 1 9 . 1 1 33 33 VAL H H 33 8.198 8.198 8.420 -0.222 19682 4259 1 9 . 1 1 34 34 ASP N N 34 125.813 125.813 127.769 -1.956 19682 4260 1 9 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.902 -0.042 19682 4261 1 9 . 1 1 34 34 ASP C C 34 174.919 174.919 175.382 -0.463 19682 4262 1 9 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.021 -0.095 19682 4263 1 9 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.472 -0.968 19682 4264 1 9 . 1 1 34 34 ASP H H 34 8.336 8.336 8.461 -0.125 19682 4265 1 9 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.425 -0.061 19682 4266 1 9 . 1 1 35 35 PRO C C 35 177.091 177.091 177.218 -0.127 19682 4267 1 9 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.037 0.477 19682 4268 1 9 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.558 -0.385 19682 4269 1 9 . 1 1 36 36 LEU N N 36 119.977 119.977 115.888 4.089 19682 4270 1 9 . 1 1 36 36 LEU HA H 36 4.256 4.256 3.825 0.431 19682 4271 1 9 . 1 1 36 36 LEU C C 36 177.479 177.479 176.818 0.661 19682 4272 1 9 . 1 1 36 36 LEU CA C 36 55.226 55.226 57.028 -1.802 19682 4273 1 9 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.735 0.900 19682 4274 1 9 . 1 1 36 36 LEU H H 36 8.316 8.316 7.801 0.515 19682 4275 1 9 . 1 1 37 37 MET N N 37 120.231 120.231 116.992 3.239 19682 4276 1 9 . 1 1 37 37 MET HA H 37 4.326 4.326 4.245 0.081 19682 4277 1 9 . 1 1 37 37 MET C C 37 175.171 175.171 175.855 -0.684 19682 4278 1 9 . 1 1 37 37 MET CA C 37 55.160 55.160 56.523 -1.363 19682 4279 1 9 . 1 1 37 37 MET CB C 37 32.514 32.514 33.035 -0.521 19682 4280 1 9 . 1 1 37 37 MET H H 37 7.893 7.893 7.850 0.043 19682 4281 1 9 . 1 1 38 38 LYS N N 38 122.361 122.361 118.789 3.572 19682 4282 1 9 . 1 1 38 38 LYS HA H 38 4.160 4.160 3.903 0.257 19682 4283 1 9 . 1 1 38 38 LYS C C 38 175.837 175.837 174.908 0.929 19682 4284 1 9 . 1 1 38 38 LYS CA C 38 56.105 56.105 56.418 -0.313 19682 4285 1 9 . 1 1 38 38 LYS CB C 38 33.214 33.214 31.146 2.068 19682 4286 1 9 . 1 1 38 38 LYS H H 38 7.929 7.929 7.442 0.487 19682 4287 1 9 . 1 1 39 39 TYR N N 39 120.347 120.347 122.487 -2.140 19682 4288 1 9 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.442 0.128 19682 4289 1 9 . 1 1 39 39 TYR C C 39 174.325 174.325 175.891 -1.566 19682 4290 1 9 . 1 1 39 39 TYR CA C 39 57.424 57.424 57.542 -0.118 19682 4291 1 9 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.495 1.114 19682 4292 1 9 . 1 1 39 39 TYR H H 39 8.020 8.020 8.447 -0.427 19682 4293 1 9 . 1 1 40 40 ILE N N 40 119.688 119.688 122.657 -2.969 19682 4294 1 9 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.313 -0.338 19682 4295 1 9 . 1 1 40 40 ILE C C 40 175.181 175.181 175.595 -0.414 19682 4296 1 9 . 1 1 40 40 ILE CA C 40 58.580 58.580 60.190 -1.610 19682 4297 1 9 . 1 1 40 40 ILE CB C 40 39.694 39.694 38.027 1.667 19682 4298 1 9 . 1 1 40 40 ILE H H 40 8.000 8.000 7.714 0.286 19682 4299 1 9 . 1 1 41 41 CYS N N 41 129.049 129.049 127.989 1.060 19682 4300 1 9 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.164 -0.192 19682 4301 1 9 . 1 1 41 41 CYS C C 41 177.197 177.197 175.987 1.210 19682 4302 1 9 . 1 1 41 41 CYS CA C 41 59.057 59.057 59.193 -0.136 19682 4303 1 9 . 1 1 41 41 CYS CB C 41 31.374 31.374 27.062 4.312 19682 4304 1 9 . 1 1 41 41 CYS H H 41 7.990 7.990 8.885 -0.895 19682 4305 1 9 . 1 1 42 42 HIS N N 42 127.633 127.633 128.728 -1.095 19682 4306 1 9 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.367 -0.235 19682 4307 1 9 . 1 1 42 42 HIS C C 42 174.385 174.385 175.361 -0.976 19682 4308 1 9 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.517 0.474 19682 4309 1 9 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.828 -1.128 19682 4310 1 9 . 1 1 42 42 HIS H H 42 8.933 8.933 8.883 0.050 19682 4311 1 9 . 1 1 43 43 ILE N N 43 119.482 119.482 118.688 0.794 19682 4312 1 9 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.973 0.192 19682 4313 1 9 . 1 1 43 43 ILE C C 43 176.673 176.673 176.662 0.011 19682 4314 1 9 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.104 -0.982 19682 4315 1 9 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.998 -0.664 19682 4316 1 9 . 1 1 43 43 ILE H H 43 8.944 8.944 7.762 1.182 19682 4317 1 9 . 1 1 44 44 CYS N N 44 117.996 117.996 116.880 1.116 19682 4318 1 9 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.503 0.381 19682 4319 1 9 . 1 1 44 44 CYS C C 44 176.008 176.008 175.221 0.787 19682 4320 1 9 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.116 -0.115 19682 4321 1 9 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.317 2.738 19682 4322 1 9 . 1 1 44 44 CYS H H 44 8.221 8.221 7.944 0.277 19682 4323 1 9 . 1 1 45 45 ASN N N 45 117.410 117.410 115.058 2.352 19682 4324 1 9 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.348 0.039 19682 4325 1 9 . 1 1 45 45 ASN C C 45 173.893 173.893 174.902 -1.009 19682 4326 1 9 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.929 0.085 19682 4327 1 9 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.842 0.012 19682 4328 1 9 . 1 1 45 45 ASN H H 45 8.040 8.040 8.494 -0.454 19682 4329 1 9 . 1 1 46 46 ARG N N 46 117.127 117.127 118.922 -1.795 19682 4330 1 9 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.547 0.173 19682 4331 1 9 . 1 1 46 46 ARG C C 46 176.865 176.865 176.546 0.319 19682 4332 1 9 . 1 1 46 46 ARG CA C 46 55.427 55.427 55.929 -0.502 19682 4333 1 9 . 1 1 46 46 ARG CB C 46 34.152 34.152 31.099 3.054 19682 4334 1 9 . 1 1 46 46 ARG H H 46 8.201 8.201 7.744 0.457 19682 4335 1 9 . 1 1 47 47 GLY N N 47 109.334 109.334 107.522 1.812 19682 4336 1 9 . 1 1 47 47 GLY C C 47 173.670 173.670 175.100 -1.430 19682 4337 1 9 . 1 1 47 47 GLY CA C 47 45.017 45.017 45.096 -0.079 19682 4338 1 9 . 1 1 47 47 GLY H H 47 8.902 8.902 8.596 0.306 19682 4339 1 9 . 1 1 48 48 ASP N N 48 117.908 117.908 121.374 -3.466 19682 4340 1 9 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.378 0.322 19682 4341 1 9 . 1 1 48 48 ASP C C 48 173.871 173.871 177.058 -3.187 19682 4342 1 9 . 1 1 48 48 ASP CA C 48 52.409 52.409 57.153 -4.744 19682 4343 1 9 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.150 -0.291 19682 4344 1 9 . 1 1 48 48 ASP H H 48 8.046 8.046 8.797 -0.751 19682 4345 1 9 . 1 1 49 49 VAL N N 49 117.921 117.921 119.764 -1.843 19682 4346 1 9 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.264 -0.561 19682 4347 1 9 . 1 1 49 49 VAL C C 49 177.096 177.096 175.877 1.219 19682 4348 1 9 . 1 1 49 49 VAL CA C 49 62.491 62.491 61.920 0.571 19682 4349 1 9 . 1 1 49 49 VAL CB C 49 29.423 29.423 31.421 -1.998 19682 4350 1 9 . 1 1 49 49 VAL H H 49 8.772 8.772 7.548 1.224 19682 4351 1 9 . 1 1 50 50 GLU N N 50 120.434 120.434 125.955 -5.521 19682 4352 1 9 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.149 -0.317 19682 4353 1 9 . 1 1 50 50 GLU C C 50 178.779 178.779 178.080 0.699 19682 4354 1 9 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.190 0.730 19682 4355 1 9 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.924 -0.787 19682 4356 1 9 . 1 1 50 50 GLU H H 50 9.047 9.047 8.786 0.261 19682 4357 1 9 . 1 1 51 51 GLU N N 51 119.158 119.158 118.898 0.260 19682 4358 1 9 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.090 0.217 19682 4359 1 9 . 1 1 51 51 GLU C C 51 177.358 177.358 176.833 0.525 19682 4360 1 9 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.330 -0.074 19682 4361 1 9 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.478 -1.253 19682 4362 1 9 . 1 1 51 51 GLU H H 51 9.822 9.822 8.758 1.064 19682 4363 1 9 . 1 1 52 52 SER N N 52 116.430 116.430 112.988 3.442 19682 4364 1 9 . 1 1 52 52 SER HA H 52 4.716 4.716 4.651 0.065 19682 4365 1 9 . 1 1 52 52 SER C C 52 172.309 172.309 173.269 -0.960 19682 4366 1 9 . 1 1 52 52 SER CA C 52 57.745 57.745 57.883 -0.138 19682 4367 1 9 . 1 1 52 52 SER CB C 52 64.494 64.494 63.601 0.893 19682 4368 1 9 . 1 1 52 52 SER H H 52 8.291 8.291 7.573 0.718 19682 4369 1 9 . 1 1 53 53 MET N N 53 121.812 121.812 123.117 -1.305 19682 4370 1 9 . 1 1 53 53 MET HA H 53 4.577 4.577 4.462 0.115 19682 4371 1 9 . 1 1 53 53 MET C C 53 174.385 174.385 175.482 -1.097 19682 4372 1 9 . 1 1 53 53 MET CA C 53 54.784 54.784 54.771 0.013 19682 4373 1 9 . 1 1 53 53 MET CB C 53 33.410 33.410 32.951 0.459 19682 4374 1 9 . 1 1 53 53 MET H H 53 7.648 7.648 7.117 0.531 19682 4375 1 9 . 1 1 54 54 LEU N N 54 128.167 128.167 129.002 -0.835 19682 4376 1 9 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.472 -0.224 19682 4377 1 9 . 1 1 54 54 LEU C C 54 175.111 175.111 175.577 -0.466 19682 4378 1 9 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.886 -0.263 19682 4379 1 9 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.042 1.717 19682 4380 1 9 . 1 1 54 54 LEU H H 54 9.007 9.007 8.860 0.147 19682 4381 1 9 . 1 1 55 55 LEU N N 55 122.173 122.173 126.390 -4.217 19682 4382 1 9 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.983 -0.178 19682 4383 1 9 . 1 1 55 55 LEU C C 55 176.260 176.260 175.995 0.265 19682 4384 1 9 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.276 -0.029 19682 4385 1 9 . 1 1 55 55 LEU CB C 55 43.273 43.273 42.989 0.284 19682 4386 1 9 . 1 1 55 55 LEU H H 55 8.139 8.139 8.504 -0.365 19682 4387 1 9 . 1 1 56 56 CYS N N 56 126.541 126.541 129.222 -2.681 19682 4388 1 9 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.779 -0.053 19682 4389 1 9 . 1 1 56 56 CYS C C 56 177.671 177.671 175.913 1.758 19682 4390 1 9 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.581 1.639 19682 4391 1 9 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.491 4.592 19682 4392 1 9 . 1 1 56 56 CYS H H 56 8.996 8.996 9.003 -0.007 19682 4393 1 9 . 1 1 57 57 ASP N N 57 130.338 130.338 129.581 0.757 19682 4394 1 9 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.505 0.162 19682 4395 1 9 . 1 1 57 57 ASP C C 57 176.159 176.159 176.954 -0.795 19682 4396 1 9 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.506 0.951 19682 4397 1 9 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.048 1.153 19682 4398 1 9 . 1 1 57 57 ASP H H 57 9.373 9.373 8.191 1.182 19682 4399 1 9 . 1 1 58 58 GLY N N 58 114.137 114.137 106.026 8.111 19682 4400 1 9 . 1 1 58 58 GLY C C 58 174.801 174.801 173.955 0.846 19682 4401 1 9 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.797 1.185 19682 4402 1 9 . 1 1 58 58 GLY H H 58 10.023 10.023 8.229 1.794 19682 4403 1 9 . 1 1 59 59 CYS N N 59 120.775 120.775 116.545 4.230 19682 4404 1 9 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.720 0.171 19682 4405 1 9 . 1 1 59 59 CYS C C 59 175.564 175.564 173.472 2.092 19682 4406 1 9 . 1 1 59 59 CYS CA C 59 58.741 58.741 59.527 -0.786 19682 4407 1 9 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.649 3.429 19682 4408 1 9 . 1 1 59 59 CYS H H 59 8.132 8.132 7.701 0.431 19682 4409 1 9 . 1 1 60 60 ASP N N 60 119.232 119.232 118.042 1.190 19682 4410 1 9 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.484 0.205 19682 4411 1 9 . 1 1 60 60 ASP C C 60 174.738 174.738 174.239 0.499 19682 4412 1 9 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.310 1.155 19682 4413 1 9 . 1 1 60 60 ASP CB C 60 41.041 41.041 40.906 0.135 19682 4414 1 9 . 1 1 60 60 ASP H H 60 8.085 8.085 8.702 -0.617 19682 4415 1 9 . 1 1 61 61 ASP N N 61 121.704 121.704 120.810 0.894 19682 4416 1 9 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.580 0.269 19682 4417 1 9 . 1 1 61 61 ASP C C 61 175.454 175.454 175.557 -0.103 19682 4418 1 9 . 1 1 61 61 ASP CA C 61 55.493 55.493 55.019 0.474 19682 4419 1 9 . 1 1 61 61 ASP CB C 61 42.194 42.194 41.919 0.275 19682 4420 1 9 . 1 1 61 61 ASP H H 61 8.703 8.703 8.240 0.463 19682 4421 1 9 . 1 1 62 62 SER N N 62 113.381 113.381 119.290 -5.909 19682 4422 1 9 . 1 1 62 62 SER HA H 62 5.703 5.703 4.956 0.747 19682 4423 1 9 . 1 1 62 62 SER C C 62 173.821 173.821 173.515 0.306 19682 4424 1 9 . 1 1 62 62 SER CA C 62 56.165 56.165 59.013 -2.848 19682 4425 1 9 . 1 1 62 62 SER CB C 62 65.275 65.275 64.170 1.105 19682 4426 1 9 . 1 1 62 62 SER H H 62 8.313 8.313 8.685 -0.372 19682 4427 1 9 . 1 1 63 63 TYR N N 63 120.467 120.467 122.601 -2.134 19682 4428 1 9 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.643 0.708 19682 4429 1 9 . 1 1 63 63 TYR C C 63 175.393 175.393 174.623 0.770 19682 4430 1 9 . 1 1 63 63 TYR CA C 63 56.687 56.687 57.045 -0.358 19682 4431 1 9 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.367 1.959 19682 4432 1 9 . 1 1 63 63 TYR H H 63 8.815 8.815 8.955 -0.140 19682 4433 1 9 . 1 1 64 64 HIS N N 64 121.957 121.957 122.562 -0.605 19682 4434 1 9 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.442 0.408 19682 4435 1 9 . 1 1 64 64 HIS C C 64 178.559 178.559 176.794 1.765 19682 4436 1 9 . 1 1 64 64 HIS CA C 64 57.490 57.490 56.079 1.411 19682 4437 1 9 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.722 0.314 19682 4438 1 9 . 1 1 64 64 HIS H H 64 9.276 9.276 8.006 1.270 19682 4439 1 9 . 1 1 65 65 THR N N 65 113.100 113.100 117.385 -4.285 19682 4440 1 9 . 1 1 65 65 THR HA H 65 3.603 3.603 3.698 -0.095 19682 4441 1 9 . 1 1 65 65 THR C C 65 176.824 176.824 175.854 0.970 19682 4442 1 9 . 1 1 65 65 THR CA C 65 64.805 64.805 65.915 -1.109 19682 4443 1 9 . 1 1 65 65 THR CB C 65 66.441 66.441 68.709 -2.268 19682 4444 1 9 . 1 1 65 65 THR H H 65 8.832 8.832 7.821 1.011 19682 4445 1 9 . 1 1 66 66 PHE N N 66 111.288 111.288 114.812 -3.524 19682 4446 1 9 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.753 -0.029 19682 4447 1 9 . 1 1 66 66 PHE C C 66 176.846 176.846 175.509 1.337 19682 4448 1 9 . 1 1 66 66 PHE CA C 66 56.215 56.215 57.450 -1.235 19682 4449 1 9 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.295 0.135 19682 4450 1 9 . 1 1 66 66 PHE H H 66 6.541 6.541 7.360 -0.819 19682 4451 1 9 . 1 1 67 67 CYS N N 67 123.228 123.228 117.652 5.576 19682 4452 1 9 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.642 -0.149 19682 4453 1 9 . 1 1 67 67 CYS C C 67 174.627 174.627 175.301 -0.674 19682 4454 1 9 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.221 2.915 19682 4455 1 9 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.548 3.055 19682 4456 1 9 . 1 1 67 67 CYS H H 67 7.384 7.384 7.423 -0.039 19682 4457 1 9 . 1 1 68 68 LEU N N 68 119.645 119.645 120.640 -0.995 19682 4458 1 9 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.388 -0.261 19682 4459 1 9 . 1 1 68 68 LEU C C 68 174.738 174.738 175.749 -1.011 19682 4460 1 9 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.359 -0.348 19682 4461 1 9 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.719 1.404 19682 4462 1 9 . 1 1 68 68 LEU H H 68 6.514 6.514 7.518 -1.004 19682 4463 1 9 . 1 1 69 69 LEU N N 69 119.803 119.803 121.309 -1.506 19682 4464 1 9 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.797 -0.114 19682 4465 1 9 . 1 1 69 69 LEU C C 69 174.879 174.879 175.467 -0.588 19682 4466 1 9 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.509 -1.292 19682 4467 1 9 . 1 1 69 69 LEU CB C 69 44.335 44.335 43.383 0.952 19682 4468 1 9 . 1 1 69 69 LEU H H 69 8.050 8.050 8.161 -0.111 19682 4469 1 9 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.828 0.206 19682 4470 1 9 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.185 0.860 19682 4471 1 9 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.491 1.542 19682 4472 1 9 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.564 -0.116 19682 4473 1 9 . 1 1 71 71 PRO C C 71 177.632 177.632 176.753 0.879 19682 4474 1 9 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.785 0.203 19682 4475 1 9 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.431 -0.302 19682 4476 1 9 . 1 1 72 72 LEU N N 72 121.033 121.033 126.043 -5.010 19682 4477 1 9 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.286 0.360 19682 4478 1 9 . 1 1 72 72 LEU C C 72 177.983 177.983 177.194 0.789 19682 4479 1 9 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.902 -0.865 19682 4480 1 9 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.474 2.910 19682 4481 1 9 . 1 1 72 72 LEU H H 72 7.660 7.660 8.155 -0.494 19682 4482 1 9 . 1 1 73 73 THR N N 73 112.645 112.645 119.033 -6.388 19682 4483 1 9 . 1 1 73 73 THR HA H 73 4.289 4.289 4.126 0.163 19682 4484 1 9 . 1 1 73 73 THR C C 73 174.305 174.305 174.600 -0.295 19682 4485 1 9 . 1 1 73 73 THR CA C 73 62.324 62.324 64.378 -2.054 19682 4486 1 9 . 1 1 73 73 THR CB C 73 69.019 69.019 69.297 -0.278 19682 4487 1 9 . 1 1 73 73 THR H H 73 8.694 8.694 8.198 0.496 19682 4488 1 9 . 1 1 74 74 SER N N 74 114.234 114.234 115.813 -1.579 19682 4489 1 9 . 1 1 74 74 SER HA H 74 4.584 4.584 4.590 -0.006 19682 4490 1 9 . 1 1 74 74 SER C C 74 172.833 172.833 173.335 -0.502 19682 4491 1 9 . 1 1 74 74 SER CA C 74 56.827 56.827 57.351 -0.524 19682 4492 1 9 . 1 1 74 74 SER CB C 74 64.678 64.678 65.010 -0.332 19682 4493 1 9 . 1 1 74 74 SER H H 74 7.503 7.503 7.905 -0.402 19682 4494 1 9 . 1 1 75 75 ILE N N 75 123.720 123.720 126.745 -3.025 19682 4495 1 9 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.212 -0.133 19682 4496 1 9 . 1 1 75 75 ILE C C 75 174.819 174.819 174.593 0.226 19682 4497 1 9 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.336 -0.728 19682 4498 1 9 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.639 0.149 19682 4499 1 9 . 1 1 75 75 ILE H H 75 8.498 8.498 8.225 0.273 19682 4500 1 9 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.505 -0.097 19682 4501 1 9 . 1 1 76 76 PRO C C 76 176.339 176.339 176.171 0.168 19682 4502 1 9 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.611 0.393 19682 4503 1 9 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.150 -0.014 19682 4504 1 9 . 1 1 77 77 LYS N N 77 121.662 121.662 123.664 -2.002 19682 4505 1 9 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.103 0.232 19682 4506 1 9 . 1 1 77 77 LYS C C 77 177.278 177.278 177.743 -0.465 19682 4507 1 9 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.937 -0.639 19682 4508 1 9 . 1 1 77 77 LYS CB C 77 32.777 32.777 30.743 2.034 19682 4509 1 9 . 1 1 77 77 LYS H H 77 8.516 8.516 8.465 0.051 19682 4510 1 9 . 1 1 78 78 GLY N N 78 110.250 110.250 115.858 -5.608 19682 4511 1 9 . 1 1 78 78 GLY C C 78 172.995 172.995 174.256 -1.261 19682 4512 1 9 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.361 -0.815 19682 4513 1 9 . 1 1 78 78 GLY H H 78 8.150 8.150 8.448 -0.298 19682 4514 1 9 . 1 1 79 79 GLU N N 79 121.820 121.820 123.790 -1.970 19682 4515 1 9 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.560 -0.191 19682 4516 1 9 . 1 1 79 79 GLU C C 79 175.847 175.847 175.317 0.530 19682 4517 1 9 . 1 1 79 79 GLU CA C 79 56.977 56.977 55.866 1.111 19682 4518 1 9 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.938 -0.300 19682 4519 1 9 . 1 1 79 79 GLU H H 79 8.342 8.342 8.082 0.260 19682 4520 1 9 . 1 1 80 80 TRP N N 80 126.690 126.690 127.451 -0.761 19682 4521 1 9 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.914 -0.400 19682 4522 1 9 . 1 1 80 80 TRP C C 80 172.733 172.733 173.947 -1.214 19682 4523 1 9 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.104 3.464 19682 4524 1 9 . 1 1 80 80 TRP CB C 80 30.409 30.409 32.343 -1.934 19682 4525 1 9 . 1 1 80 80 TRP H H 80 9.370 9.370 8.494 0.876 19682 4526 1 9 . 1 1 81 81 LEU N N 81 125.572 125.572 124.164 1.408 19682 4527 1 9 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.202 0.819 19682 4528 1 9 . 1 1 81 81 LEU C C 81 174.617 174.617 174.670 -0.053 19682 4529 1 9 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.945 -1.511 19682 4530 1 9 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.713 1.147 19682 4531 1 9 . 1 1 81 81 LEU H H 81 6.540 6.540 7.646 -1.106 19682 4532 1 9 . 1 1 82 82 CYS N N 82 125.868 125.868 120.292 5.576 19682 4533 1 9 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.661 -0.132 19682 4534 1 9 . 1 1 82 82 CYS C C 82 172.652 172.652 175.142 -2.490 19682 4535 1 9 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.666 0.896 19682 4536 1 9 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.517 3.027 19682 4537 1 9 . 1 1 82 82 CYS H H 82 9.086 9.086 8.033 1.053 19682 4538 1 9 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.007 0.061 19682 4539 1 9 . 1 1 83 83 PRO C C 83 178.541 178.541 178.344 0.197 19682 4540 1 9 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.684 -0.417 19682 4541 1 9 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.573 0.636 19682 4542 1 9 . 1 1 84 84 ARG N N 84 117.140 117.140 115.839 1.301 19682 4543 1 9 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.126 0.071 19682 4544 1 9 . 1 1 84 84 ARG C C 84 177.983 177.983 177.727 0.256 19682 4545 1 9 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.855 -0.318 19682 4546 1 9 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.236 1.579 19682 4547 1 9 . 1 1 84 84 ARG H H 84 8.041 8.041 8.459 -0.418 19682 4548 1 9 . 1 1 85 85 CYS N N 85 123.417 123.417 116.857 6.560 19682 4549 1 9 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.259 -0.356 19682 4550 1 9 . 1 1 85 85 CYS C C 85 177.298 177.298 176.448 0.850 19682 4551 1 9 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.132 3.036 19682 4552 1 9 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.233 3.805 19682 4553 1 9 . 1 1 85 85 CYS H H 85 8.210 8.210 7.603 0.607 19682 4554 1 9 . 1 1 86 86 VAL N N 86 118.037 118.037 119.925 -1.888 19682 4555 1 9 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.837 -0.197 19682 4556 1 9 . 1 1 86 86 VAL C C 86 176.623 176.623 177.402 -0.779 19682 4557 1 9 . 1 1 86 86 VAL CA C 86 64.508 64.508 64.983 -0.475 19682 4558 1 9 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.814 -0.012 19682 4559 1 9 . 1 1 86 86 VAL H H 86 7.951 7.951 7.805 0.146 19682 4560 1 9 . 1 1 87 87 VAL N N 87 119.227 119.227 116.468 2.759 19682 4561 1 9 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.833 0.143 19682 4562 1 9 . 1 1 87 87 VAL C C 87 176.774 176.774 176.686 0.088 19682 4563 1 9 . 1 1 87 87 VAL CA C 87 63.182 63.182 63.084 0.098 19682 4564 1 9 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.362 0.848 19682 4565 1 9 . 1 1 87 87 VAL H H 87 7.255 7.255 7.972 -0.717 19682 4566 1 9 . 1 1 88 88 GLU N N 88 122.469 122.469 118.870 3.599 19682 4567 1 9 . 1 1 88 88 GLU HA H 88 4.199 4.199 3.898 0.301 19682 4568 1 9 . 1 1 88 88 GLU C C 88 176.623 176.623 176.488 0.135 19682 4569 1 9 . 1 1 88 88 GLU CA C 88 56.950 56.950 59.197 -2.247 19682 4570 1 9 . 1 1 88 88 GLU CB C 88 30.090 30.090 28.735 1.355 19682 4571 1 9 . 1 1 88 88 GLU H H 88 7.986 7.986 8.448 -0.462 19682 4572 1 9 . 1 1 89 89 GLU N N 89 121.343 121.343 118.992 2.351 19682 4573 1 9 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.482 -0.293 19682 4574 1 9 . 1 1 89 89 GLU C C 89 176.744 176.744 175.858 0.886 19682 4575 1 9 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.498 0.458 19682 4576 1 9 . 1 1 89 89 GLU CB C 89 29.912 29.912 30.706 -0.794 19682 4577 1 9 . 1 1 89 89 GLU H H 89 8.168 8.168 8.152 0.016 19682 4578 1 9 . 1 1 90 90 VAL N N 90 120.127 120.127 119.515 0.612 19682 4579 1 9 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.408 -0.324 19682 4580 1 9 . 1 1 90 90 VAL C C 90 176.290 176.290 174.868 1.422 19682 4581 1 9 . 1 1 90 90 VAL CA C 90 62.592 62.592 60.906 1.686 19682 4582 1 9 . 1 1 90 90 VAL CB C 90 32.527 32.527 29.814 2.713 19682 4583 1 9 . 1 1 90 90 VAL H H 90 8.027 8.027 8.022 0.005 19682 4584 1 9 . 1 1 91 91 SER N N 91 118.678 118.678 122.082 -3.404 19682 4585 1 9 . 1 1 91 91 SER HA H 91 4.439 4.439 4.469 -0.030 19682 4586 1 9 . 1 1 91 91 SER C C 91 173.932 173.932 174.286 -0.354 19682 4587 1 9 . 1 1 91 91 SER CA C 91 58.189 58.189 58.938 -0.749 19682 4588 1 9 . 1 1 91 91 SER CB C 91 63.706 63.706 62.705 1.001 19682 4589 1 9 . 1 1 91 91 SER H H 91 8.222 8.222 7.891 0.331 19682 4590 1 9 . 1 1 92 92 LYS N N 92 124.547 124.547 127.490 -2.943 19682 4591 1 9 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.678 -0.071 19682 4592 1 9 . 1 1 92 92 LYS C C 92 174.395 174.395 175.574 -1.179 19682 4593 1 9 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.407 0.865 19682 4594 1 9 . 1 1 92 92 LYS CB C 92 32.646 32.646 31.141 1.505 19682 4595 1 9 . 1 1 92 92 LYS H H 92 8.165 8.165 7.820 0.345 19682 4596 1 9 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.421 -0.002 19682 4597 1 9 . 1 1 93 93 PRO C C 93 176.194 176.194 176.555 -0.361 19682 4598 1 9 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.871 -0.453 19682 4599 1 9 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.368 -0.472 19682 4600 1 10 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.916 -0.166 19682 4601 1 10 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.132 0.160 19682 4602 1 10 . 1 1 2 2 HIS CB C 2 30.558 30.558 32.241 -1.683 19682 4603 1 10 . 1 1 2 2 HIS H H 2 8.134 8.134 7.959 0.175 19682 4604 1 10 . 1 1 3 3 MET N N 3 123.164 123.164 122.150 1.014 19682 4605 1 10 . 1 1 3 3 MET HA H 3 4.494 4.494 4.501 -0.007 19682 4606 1 10 . 1 1 3 3 MET C C 3 176.078 176.078 175.773 0.305 19682 4607 1 10 . 1 1 3 3 MET CA C 3 55.504 55.504 55.053 0.451 19682 4608 1 10 . 1 1 3 3 MET CB C 3 32.860 32.860 31.412 1.448 19682 4609 1 10 . 1 1 3 3 MET H H 3 8.419 8.419 7.830 0.589 19682 4610 1 10 . 1 1 4 4 SER N N 4 117.403 117.403 119.712 -2.309 19682 4611 1 10 . 1 1 4 4 SER HA H 4 4.439 4.439 4.496 -0.057 19682 4612 1 10 . 1 1 4 4 SER C C 4 175.011 175.011 174.830 0.181 19682 4613 1 10 . 1 1 4 4 SER CA C 4 58.516 58.516 59.472 -0.957 19682 4614 1 10 . 1 1 4 4 SER CB C 4 63.773 63.773 62.790 0.983 19682 4615 1 10 . 1 1 4 4 SER H H 4 8.416 8.416 8.277 0.139 19682 4616 1 10 . 1 1 5 5 GLY N N 5 111.174 111.174 112.891 -1.717 19682 4617 1 10 . 1 1 5 5 GLY C C 5 174.567 174.567 173.730 0.837 19682 4618 1 10 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.027 0.158 19682 4619 1 10 . 1 1 5 5 GLY H H 5 8.475 8.475 8.162 0.313 19682 4620 1 10 . 1 1 6 6 GLY N N 6 108.594 108.594 109.964 -1.370 19682 4621 1 10 . 1 1 6 6 GLY C C 6 173.781 173.781 173.971 -0.190 19682 4622 1 10 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.793 -0.810 19682 4623 1 10 . 1 1 6 6 GLY H H 6 8.274 8.274 8.029 0.245 19682 4624 1 10 . 1 1 7 7 SER N N 7 116.558 116.558 118.597 -2.039 19682 4625 1 10 . 1 1 7 7 SER C C 7 172.995 172.995 172.390 0.605 19682 4626 1 10 . 1 1 7 7 SER CA C 7 56.387 56.387 57.218 -0.831 19682 4627 1 10 . 1 1 7 7 SER CB C 7 63.508 63.508 64.951 -1.443 19682 4628 1 10 . 1 1 7 7 SER H H 7 8.220 8.220 8.110 0.110 19682 4629 1 10 . 1 1 8 8 PRO HA H 8 4.454 4.454 5.001 -0.547 19682 4630 1 10 . 1 1 8 8 PRO C C 8 176.864 176.864 175.504 1.360 19682 4631 1 10 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.624 0.725 19682 4632 1 10 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.282 -0.272 19682 4633 1 10 . 1 1 9 9 LEU N N 9 121.497 121.497 117.918 3.579 19682 4634 1 10 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.722 -0.418 19682 4635 1 10 . 1 1 9 9 LEU C C 9 177.237 177.237 175.145 2.092 19682 4636 1 10 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.619 0.404 19682 4637 1 10 . 1 1 9 9 LEU CB C 9 42.353 42.353 43.413 -1.060 19682 4638 1 10 . 1 1 9 9 LEU H H 9 8.196 8.196 8.042 0.154 19682 4639 1 10 . 1 1 10 10 ALA N N 10 124.964 124.964 124.144 0.820 19682 4640 1 10 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.475 -0.073 19682 4641 1 10 . 1 1 10 10 ALA C C 10 177.812 177.812 176.293 1.519 19682 4642 1 10 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.242 0.166 19682 4643 1 10 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.371 -0.133 19682 4644 1 10 . 1 1 10 10 ALA H H 10 8.242 8.242 8.593 -0.351 19682 4645 1 10 . 1 1 11 11 THR N N 11 112.852 112.852 116.391 -3.539 19682 4646 1 10 . 1 1 11 11 THR HA H 11 4.341 4.341 4.486 -0.145 19682 4647 1 10 . 1 1 11 11 THR C C 11 175.181 175.181 174.153 1.028 19682 4648 1 10 . 1 1 11 11 THR CA C 11 61.870 61.870 62.778 -0.908 19682 4649 1 10 . 1 1 11 11 THR CB C 11 69.622 69.622 69.497 0.125 19682 4650 1 10 . 1 1 11 11 THR H H 11 8.081 8.081 8.112 -0.031 19682 4651 1 10 . 1 1 12 12 GLY N N 12 110.929 110.929 113.728 -2.799 19682 4652 1 10 . 1 1 12 12 GLY C C 12 174.395 174.395 174.016 0.379 19682 4653 1 10 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.998 0.378 19682 4654 1 10 . 1 1 12 12 GLY H H 12 8.408 8.408 8.114 0.294 19682 4655 1 10 . 1 1 13 13 THR N N 13 113.482 113.482 114.724 -1.242 19682 4656 1 10 . 1 1 13 13 THR HA H 13 4.445 4.445 4.675 -0.230 19682 4657 1 10 . 1 1 13 13 THR C C 13 174.889 174.889 173.758 1.131 19682 4658 1 10 . 1 1 13 13 THR CA C 13 61.816 61.816 62.050 -0.234 19682 4659 1 10 . 1 1 13 13 THR CB C 13 69.812 69.812 70.043 -0.231 19682 4660 1 10 . 1 1 13 13 THR H H 13 8.130 8.130 7.734 0.396 19682 4661 1 10 . 1 1 14 14 THR N N 14 116.080 116.080 118.055 -1.975 19682 4662 1 10 . 1 1 14 14 THR HA H 14 4.370 4.370 4.435 -0.065 19682 4663 1 10 . 1 1 14 14 THR C C 14 174.385 174.385 172.811 1.574 19682 4664 1 10 . 1 1 14 14 THR CA C 14 61.788 61.788 63.026 -1.238 19682 4665 1 10 . 1 1 14 14 THR CB C 14 69.696 69.696 69.305 0.391 19682 4666 1 10 . 1 1 14 14 THR H H 14 8.199 8.199 8.233 -0.034 19682 4667 1 10 . 1 1 15 15 ALA N N 15 126.054 126.054 130.777 -4.723 19682 4668 1 10 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.527 -0.226 19682 4669 1 10 . 1 1 15 15 ALA C C 15 177.469 177.469 175.990 1.479 19682 4670 1 10 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.935 -0.089 19682 4671 1 10 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.678 -0.494 19682 4672 1 10 . 1 1 15 15 ALA H H 15 8.349 8.349 8.477 -0.128 19682 4673 1 10 . 1 1 16 16 ASN N N 16 117.718 117.718 120.780 -3.062 19682 4674 1 10 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.768 -0.024 19682 4675 1 10 . 1 1 16 16 ASN C C 16 175.575 175.575 173.988 1.587 19682 4676 1 10 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.663 -0.466 19682 4677 1 10 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.412 -0.680 19682 4678 1 10 . 1 1 16 16 ASN H H 16 8.403 8.403 8.376 0.027 19682 4679 1 10 . 1 1 17 17 THR N N 17 114.153 114.153 117.576 -3.423 19682 4680 1 10 . 1 1 17 17 THR HA H 17 4.312 4.312 4.414 -0.102 19682 4681 1 10 . 1 1 17 17 THR C C 17 174.799 174.799 174.616 0.183 19682 4682 1 10 . 1 1 17 17 THR CA C 17 61.973 61.973 62.023 -0.050 19682 4683 1 10 . 1 1 17 17 THR CB C 17 69.624 69.624 69.330 0.294 19682 4684 1 10 . 1 1 17 17 THR H H 17 8.081 8.081 8.232 -0.151 19682 4685 1 10 . 1 1 18 18 ARG N N 18 122.990 122.990 126.503 -3.513 19682 4686 1 10 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.519 -0.194 19682 4687 1 10 . 1 1 18 18 ARG C C 18 176.875 176.875 174.960 1.915 19682 4688 1 10 . 1 1 18 18 ARG CA C 18 56.551 56.551 56.527 0.024 19682 4689 1 10 . 1 1 18 18 ARG CB C 18 30.587 30.587 30.315 0.272 19682 4690 1 10 . 1 1 18 18 ARG H H 18 8.351 8.351 8.542 -0.191 19682 4691 1 10 . 1 1 19 19 GLY N N 19 109.993 109.993 112.528 -2.535 19682 4692 1 10 . 1 1 19 19 GLY C C 19 174.002 174.002 173.063 0.939 19682 4693 1 10 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.480 -0.166 19682 4694 1 10 . 1 1 19 19 GLY H H 19 8.394 8.394 8.452 -0.058 19682 4695 1 10 . 1 1 20 20 ALA N N 20 123.732 123.732 127.873 -4.141 19682 4696 1 10 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.582 -0.240 19682 4697 1 10 . 1 1 20 20 ALA C C 20 178.034 178.034 176.703 1.331 19682 4698 1 10 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.151 0.499 19682 4699 1 10 . 1 1 20 20 ALA CB C 20 19.221 19.221 21.132 -1.911 19682 4700 1 10 . 1 1 20 20 ALA H H 20 8.185 8.185 7.975 0.210 19682 4701 1 10 . 1 1 21 21 SER N N 21 114.750 114.750 118.903 -4.153 19682 4702 1 10 . 1 1 21 21 SER HA H 21 4.419 4.419 4.557 -0.138 19682 4703 1 10 . 1 1 21 21 SER C C 21 174.627 174.627 174.005 0.622 19682 4704 1 10 . 1 1 21 21 SER CA C 21 58.495 58.495 57.986 0.509 19682 4705 1 10 . 1 1 21 21 SER CB C 21 63.697 63.697 63.953 -0.256 19682 4706 1 10 . 1 1 21 21 SER H H 21 8.319 8.319 8.465 -0.146 19682 4707 1 10 . 1 1 22 22 GLN N N 22 122.092 122.092 124.809 -2.717 19682 4708 1 10 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.442 -0.098 19682 4709 1 10 . 1 1 22 22 GLN C C 22 175.857 175.857 175.725 0.132 19682 4710 1 10 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.650 0.125 19682 4711 1 10 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.983 0.415 19682 4712 1 10 . 1 1 22 22 GLN H H 22 8.343 8.343 8.591 -0.248 19682 4713 1 10 . 1 1 23 23 LYS N N 23 122.663 122.663 125.590 -2.927 19682 4714 1 10 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.536 -0.239 19682 4715 1 10 . 1 1 23 23 LYS C C 23 176.502 176.502 175.323 1.179 19682 4716 1 10 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.958 -0.643 19682 4717 1 10 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.616 0.432 19682 4718 1 10 . 1 1 23 23 LYS H H 23 8.309 8.309 8.712 -0.403 19682 4719 1 10 . 1 1 24 24 LYS N N 24 123.434 123.434 122.757 0.677 19682 4720 1 10 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.577 -0.251 19682 4721 1 10 . 1 1 24 24 LYS C C 24 177.026 177.026 175.772 1.254 19682 4722 1 10 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.474 0.885 19682 4723 1 10 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.179 -0.186 19682 4724 1 10 . 1 1 24 24 LYS H H 24 8.469 8.469 8.378 0.091 19682 4725 1 10 . 1 1 25 25 GLY N N 25 110.813 110.813 107.634 3.179 19682 4726 1 10 . 1 1 25 25 GLY C C 25 174.476 174.476 174.973 -0.497 19682 4727 1 10 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.483 0.790 19682 4728 1 10 . 1 1 25 25 GLY H H 25 8.531 8.531 8.362 0.169 19682 4729 1 10 . 1 1 26 26 GLY N N 26 108.690 108.690 107.980 0.710 19682 4730 1 10 . 1 1 26 26 GLY C C 26 173.851 173.851 174.799 -0.948 19682 4731 1 10 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.921 0.148 19682 4732 1 10 . 1 1 26 26 GLY H H 26 8.279 8.279 8.290 -0.011 19682 4733 1 10 . 1 1 27 27 GLU N N 27 121.707 121.707 121.269 0.438 19682 4734 1 10 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.421 0.163 19682 4735 1 10 . 1 1 27 27 GLU C C 27 174.204 174.204 175.178 -0.974 19682 4736 1 10 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.575 -0.135 19682 4737 1 10 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.166 -0.729 19682 4738 1 10 . 1 1 27 27 GLU H H 27 8.321 8.321 8.236 0.085 19682 4739 1 10 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.784 -0.390 19682 4740 1 10 . 1 1 28 28 PRO CA C 28 62.811 62.811 60.932 1.879 19682 4741 1 10 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.368 0.790 19682 4742 1 10 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.571 -0.174 19682 4743 1 10 . 1 1 29 29 PRO C C 29 176.462 176.462 175.926 0.536 19682 4744 1 10 . 1 1 29 29 PRO CA C 29 62.844 62.844 61.910 0.934 19682 4745 1 10 . 1 1 29 29 PRO CB C 29 31.961 31.961 30.832 1.129 19682 4746 1 10 . 1 1 30 30 ALA N N 30 123.850 123.850 126.731 -2.881 19682 4747 1 10 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.355 -0.081 19682 4748 1 10 . 1 1 30 30 ALA C C 30 177.368 177.368 177.628 -0.260 19682 4749 1 10 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.043 0.214 19682 4750 1 10 . 1 1 30 30 ALA CB C 30 19.237 19.237 18.853 0.384 19682 4751 1 10 . 1 1 30 30 ALA H H 30 8.290 8.290 8.205 0.085 19682 4752 1 10 . 1 1 31 31 LEU N N 31 121.430 121.430 126.716 -5.286 19682 4753 1 10 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.399 -0.066 19682 4754 1 10 . 1 1 31 31 LEU C C 31 176.804 176.804 175.986 0.818 19682 4755 1 10 . 1 1 31 31 LEU CA C 31 55.015 55.015 53.860 1.155 19682 4756 1 10 . 1 1 31 31 LEU CB C 31 42.444 42.444 40.599 1.845 19682 4757 1 10 . 1 1 31 31 LEU H H 31 8.139 8.139 8.540 -0.401 19682 4758 1 10 . 1 1 32 32 ILE N N 32 123.070 123.070 124.843 -1.773 19682 4759 1 10 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.233 -0.065 19682 4760 1 10 . 1 1 32 32 ILE C C 32 175.887 175.887 176.531 -0.644 19682 4761 1 10 . 1 1 32 32 ILE CA C 32 60.690 60.690 59.849 0.841 19682 4762 1 10 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.390 2.087 19682 4763 1 10 . 1 1 32 32 ILE H H 32 8.140 8.140 7.800 0.340 19682 4764 1 10 . 1 1 33 33 VAL N N 33 124.923 124.923 124.421 0.502 19682 4765 1 10 . 1 1 33 33 VAL HA H 33 4.087 4.087 3.893 0.194 19682 4766 1 10 . 1 1 33 33 VAL C C 33 175.232 175.232 176.163 -0.931 19682 4767 1 10 . 1 1 33 33 VAL CA C 33 61.851 61.851 64.052 -2.201 19682 4768 1 10 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.803 1.117 19682 4769 1 10 . 1 1 33 33 VAL H H 33 8.198 8.198 8.294 -0.096 19682 4770 1 10 . 1 1 34 34 ASP N N 34 125.813 125.813 118.272 7.541 19682 4771 1 10 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.781 0.079 19682 4772 1 10 . 1 1 34 34 ASP C C 34 174.919 174.919 174.919 0.000 19682 4773 1 10 . 1 1 34 34 ASP CA C 34 51.926 51.926 51.053 0.873 19682 4774 1 10 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.913 -0.409 19682 4775 1 10 . 1 1 34 34 ASP H H 34 8.336 8.336 7.757 0.579 19682 4776 1 10 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.633 -0.269 19682 4777 1 10 . 1 1 35 35 PRO C C 35 177.091 177.091 176.113 0.978 19682 4778 1 10 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.608 -0.093 19682 4779 1 10 . 1 1 35 35 PRO CB C 35 32.173 32.173 31.898 0.275 19682 4780 1 10 . 1 1 36 36 LEU N N 36 119.977 119.977 115.830 4.147 19682 4781 1 10 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.756 -0.500 19682 4782 1 10 . 1 1 36 36 LEU C C 36 177.479 177.479 175.392 2.087 19682 4783 1 10 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.877 0.349 19682 4784 1 10 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.633 -0.998 19682 4785 1 10 . 1 1 36 36 LEU H H 36 8.316 8.316 7.790 0.526 19682 4786 1 10 . 1 1 37 37 MET N N 37 120.231 120.231 115.697 4.534 19682 4787 1 10 . 1 1 37 37 MET HA H 37 4.326 4.326 4.628 -0.302 19682 4788 1 10 . 1 1 37 37 MET C C 37 175.171 175.171 174.227 0.944 19682 4789 1 10 . 1 1 37 37 MET CA C 37 55.160 55.160 55.302 -0.142 19682 4790 1 10 . 1 1 37 37 MET CB C 37 32.514 32.514 33.836 -1.322 19682 4791 1 10 . 1 1 37 37 MET H H 37 7.893 7.893 7.541 0.352 19682 4792 1 10 . 1 1 38 38 LYS N N 38 122.361 122.361 119.966 2.395 19682 4793 1 10 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.476 -0.316 19682 4794 1 10 . 1 1 38 38 LYS C C 38 175.837 175.837 175.820 0.017 19682 4795 1 10 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.816 0.289 19682 4796 1 10 . 1 1 38 38 LYS CB C 38 33.214 33.214 33.891 -0.677 19682 4797 1 10 . 1 1 38 38 LYS H H 38 7.929 7.929 8.004 -0.075 19682 4798 1 10 . 1 1 39 39 TYR N N 39 120.347 120.347 121.493 -1.146 19682 4799 1 10 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.353 0.217 19682 4800 1 10 . 1 1 39 39 TYR C C 39 174.325 174.325 176.457 -2.132 19682 4801 1 10 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.380 -0.956 19682 4802 1 10 . 1 1 39 39 TYR CB C 39 38.609 38.609 38.714 -0.105 19682 4803 1 10 . 1 1 39 39 TYR H H 39 8.020 8.020 8.311 -0.291 19682 4804 1 10 . 1 1 40 40 ILE N N 40 119.688 119.688 113.487 6.201 19682 4805 1 10 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.841 0.134 19682 4806 1 10 . 1 1 40 40 ILE C C 40 175.181 175.181 175.186 -0.005 19682 4807 1 10 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.514 -2.934 19682 4808 1 10 . 1 1 40 40 ILE CB C 40 39.694 39.694 38.196 1.498 19682 4809 1 10 . 1 1 40 40 ILE H H 40 8.000 8.000 7.722 0.278 19682 4810 1 10 . 1 1 41 41 CYS N N 41 129.049 129.049 125.012 4.037 19682 4811 1 10 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.756 -0.784 19682 4812 1 10 . 1 1 41 41 CYS C C 41 177.197 177.197 176.492 0.705 19682 4813 1 10 . 1 1 41 41 CYS CA C 41 59.057 59.057 57.978 1.079 19682 4814 1 10 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.453 4.921 19682 4815 1 10 . 1 1 41 41 CYS H H 41 7.990 7.990 8.689 -0.699 19682 4816 1 10 . 1 1 42 42 HIS N N 42 127.633 127.633 128.650 -1.017 19682 4817 1 10 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.260 -0.128 19682 4818 1 10 . 1 1 42 42 HIS C C 42 174.385 174.385 175.330 -0.945 19682 4819 1 10 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.473 -0.482 19682 4820 1 10 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.803 -1.103 19682 4821 1 10 . 1 1 42 42 HIS H H 42 8.933 8.933 8.446 0.487 19682 4822 1 10 . 1 1 43 43 ILE N N 43 119.482 119.482 118.838 0.644 19682 4823 1 10 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.097 0.068 19682 4824 1 10 . 1 1 43 43 ILE C C 43 176.673 176.673 176.535 0.138 19682 4825 1 10 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.482 -0.360 19682 4826 1 10 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.649 -1.315 19682 4827 1 10 . 1 1 43 43 ILE H H 43 8.944 8.944 8.025 0.919 19682 4828 1 10 . 1 1 44 44 CYS N N 44 117.996 117.996 115.873 2.123 19682 4829 1 10 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.825 0.059 19682 4830 1 10 . 1 1 44 44 CYS C C 44 176.008 176.008 176.097 -0.089 19682 4831 1 10 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.174 1.827 19682 4832 1 10 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.835 2.220 19682 4833 1 10 . 1 1 44 44 CYS H H 44 8.221 8.221 8.303 -0.082 19682 4834 1 10 . 1 1 45 45 ASN N N 45 117.410 117.410 118.648 -1.238 19682 4835 1 10 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.352 0.035 19682 4836 1 10 . 1 1 45 45 ASN C C 45 173.893 173.893 173.639 0.254 19682 4837 1 10 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.134 -0.120 19682 4838 1 10 . 1 1 45 45 ASN CB C 45 37.854 37.854 38.026 -0.172 19682 4839 1 10 . 1 1 45 45 ASN H H 45 8.040 8.040 8.532 -0.492 19682 4840 1 10 . 1 1 46 46 ARG N N 46 117.127 117.127 119.499 -2.372 19682 4841 1 10 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.589 0.131 19682 4842 1 10 . 1 1 46 46 ARG C C 46 176.865 176.865 176.219 0.646 19682 4843 1 10 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.867 0.560 19682 4844 1 10 . 1 1 46 46 ARG CB C 46 34.152 34.152 32.250 1.902 19682 4845 1 10 . 1 1 46 46 ARG H H 46 8.201 8.201 7.339 0.862 19682 4846 1 10 . 1 1 47 47 GLY N N 47 109.334 109.334 109.614 -0.280 19682 4847 1 10 . 1 1 47 47 GLY C C 47 173.670 173.670 173.600 0.070 19682 4848 1 10 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.476 0.541 19682 4849 1 10 . 1 1 47 47 GLY H H 47 8.902 8.902 8.711 0.191 19682 4850 1 10 . 1 1 48 48 ASP N N 48 117.908 117.908 119.740 -1.832 19682 4851 1 10 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.655 0.045 19682 4852 1 10 . 1 1 48 48 ASP C C 48 173.871 173.871 176.529 -2.658 19682 4853 1 10 . 1 1 48 48 ASP CA C 48 52.409 52.409 52.928 -0.519 19682 4854 1 10 . 1 1 48 48 ASP CB C 48 40.859 40.859 42.377 -1.518 19682 4855 1 10 . 1 1 48 48 ASP H H 48 8.046 8.046 7.657 0.389 19682 4856 1 10 . 1 1 49 49 VAL N N 49 117.921 117.921 116.785 1.136 19682 4857 1 10 . 1 1 49 49 VAL HA H 49 3.703 3.703 3.709 -0.006 19682 4858 1 10 . 1 1 49 49 VAL C C 49 177.096 177.096 176.205 0.891 19682 4859 1 10 . 1 1 49 49 VAL CA C 49 62.491 62.491 63.128 -0.637 19682 4860 1 10 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.930 -1.506 19682 4861 1 10 . 1 1 49 49 VAL H H 49 8.772 8.772 8.580 0.192 19682 4862 1 10 . 1 1 50 50 GLU N N 50 120.434 120.434 121.228 -0.794 19682 4863 1 10 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.131 -0.299 19682 4864 1 10 . 1 1 50 50 GLU C C 50 178.779 178.779 178.377 0.402 19682 4865 1 10 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.318 0.602 19682 4866 1 10 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.640 -0.503 19682 4867 1 10 . 1 1 50 50 GLU H H 50 9.047 9.047 8.962 0.085 19682 4868 1 10 . 1 1 51 51 GLU N N 51 119.158 119.158 117.443 1.715 19682 4869 1 10 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.217 0.090 19682 4870 1 10 . 1 1 51 51 GLU C C 51 177.358 177.358 177.323 0.035 19682 4871 1 10 . 1 1 51 51 GLU CA C 51 58.256 58.256 57.764 0.492 19682 4872 1 10 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.531 -1.306 19682 4873 1 10 . 1 1 51 51 GLU H H 51 9.822 9.822 8.430 1.392 19682 4874 1 10 . 1 1 52 52 SER N N 52 116.430 116.430 112.252 4.178 19682 4875 1 10 . 1 1 52 52 SER HA H 52 4.716 4.716 4.673 0.043 19682 4876 1 10 . 1 1 52 52 SER C C 52 172.309 172.309 173.827 -1.518 19682 4877 1 10 . 1 1 52 52 SER CA C 52 57.745 57.745 58.438 -0.693 19682 4878 1 10 . 1 1 52 52 SER CB C 52 64.494 64.494 64.425 0.069 19682 4879 1 10 . 1 1 52 52 SER H H 52 8.291 8.291 7.826 0.465 19682 4880 1 10 . 1 1 53 53 MET N N 53 121.812 121.812 119.699 2.113 19682 4881 1 10 . 1 1 53 53 MET HA H 53 4.577 4.577 4.592 -0.015 19682 4882 1 10 . 1 1 53 53 MET C C 53 174.385 174.385 175.305 -0.920 19682 4883 1 10 . 1 1 53 53 MET CA C 53 54.784 54.784 55.178 -0.394 19682 4884 1 10 . 1 1 53 53 MET CB C 53 33.410 33.410 33.181 0.229 19682 4885 1 10 . 1 1 53 53 MET H H 53 7.648 7.648 7.405 0.243 19682 4886 1 10 . 1 1 54 54 LEU N N 54 128.167 128.167 125.428 2.739 19682 4887 1 10 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.663 -0.415 19682 4888 1 10 . 1 1 54 54 LEU C C 54 175.111 175.111 176.131 -1.020 19682 4889 1 10 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.653 -0.030 19682 4890 1 10 . 1 1 54 54 LEU CB C 54 43.759 43.759 43.576 0.183 19682 4891 1 10 . 1 1 54 54 LEU H H 54 9.007 9.007 8.480 0.527 19682 4892 1 10 . 1 1 55 55 LEU N N 55 122.173 122.173 124.577 -2.404 19682 4893 1 10 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.961 -0.156 19682 4894 1 10 . 1 1 55 55 LEU C C 55 176.260 176.260 175.796 0.464 19682 4895 1 10 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.336 -0.089 19682 4896 1 10 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.745 -0.472 19682 4897 1 10 . 1 1 55 55 LEU H H 55 8.139 8.139 8.393 -0.254 19682 4898 1 10 . 1 1 56 56 CYS N N 56 126.541 126.541 127.744 -1.203 19682 4899 1 10 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.999 -0.273 19682 4900 1 10 . 1 1 56 56 CYS C C 56 177.671 177.671 176.510 1.161 19682 4901 1 10 . 1 1 56 56 CYS CA C 56 60.220 60.220 57.487 2.732 19682 4902 1 10 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.284 3.799 19682 4903 1 10 . 1 1 56 56 CYS H H 56 8.996 8.996 8.325 0.671 19682 4904 1 10 . 1 1 57 57 ASP N N 57 130.338 130.338 129.261 1.077 19682 4905 1 10 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.444 0.223 19682 4906 1 10 . 1 1 57 57 ASP C C 57 176.159 176.159 177.466 -1.307 19682 4907 1 10 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.963 0.494 19682 4908 1 10 . 1 1 57 57 ASP CB C 57 42.201 42.201 40.835 1.366 19682 4909 1 10 . 1 1 57 57 ASP H H 57 9.373 9.373 8.637 0.736 19682 4910 1 10 . 1 1 58 58 GLY N N 58 114.137 114.137 105.718 8.419 19682 4911 1 10 . 1 1 58 58 GLY C C 58 174.801 174.801 173.559 1.242 19682 4912 1 10 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.701 1.281 19682 4913 1 10 . 1 1 58 58 GLY H H 58 10.023 10.023 8.406 1.617 19682 4914 1 10 . 1 1 59 59 CYS N N 59 120.775 120.775 117.814 2.961 19682 4915 1 10 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.634 0.257 19682 4916 1 10 . 1 1 59 59 CYS C C 59 175.564 175.564 172.744 2.820 19682 4917 1 10 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.642 1.099 19682 4918 1 10 . 1 1 59 59 CYS CB C 59 33.079 33.079 30.056 3.023 19682 4919 1 10 . 1 1 59 59 CYS H H 59 8.132 8.132 7.311 0.821 19682 4920 1 10 . 1 1 60 60 ASP N N 60 119.232 119.232 119.831 -0.599 19682 4921 1 10 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.449 0.240 19682 4922 1 10 . 1 1 60 60 ASP C C 60 174.738 174.738 174.727 0.011 19682 4923 1 10 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.232 2.233 19682 4924 1 10 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.535 -0.494 19682 4925 1 10 . 1 1 60 60 ASP H H 60 8.085 8.085 8.405 -0.320 19682 4926 1 10 . 1 1 61 61 ASP N N 61 121.704 121.704 119.904 1.800 19682 4927 1 10 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.555 0.294 19682 4928 1 10 . 1 1 61 61 ASP C C 61 175.454 175.454 175.013 0.441 19682 4929 1 10 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.072 1.421 19682 4930 1 10 . 1 1 61 61 ASP CB C 61 42.194 42.194 42.983 -0.789 19682 4931 1 10 . 1 1 61 61 ASP H H 61 8.703 8.703 7.786 0.917 19682 4932 1 10 . 1 1 62 62 SER N N 62 113.381 113.381 116.082 -2.701 19682 4933 1 10 . 1 1 62 62 SER HA H 62 5.703 5.703 5.091 0.612 19682 4934 1 10 . 1 1 62 62 SER C C 62 173.821 173.821 173.089 0.732 19682 4935 1 10 . 1 1 62 62 SER CA C 62 56.165 56.165 56.485 -0.320 19682 4936 1 10 . 1 1 62 62 SER CB C 62 65.275 65.275 64.595 0.680 19682 4937 1 10 . 1 1 62 62 SER H H 62 8.313 8.313 8.240 0.073 19682 4938 1 10 . 1 1 63 63 TYR N N 63 120.467 120.467 123.687 -3.220 19682 4939 1 10 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.624 0.727 19682 4940 1 10 . 1 1 63 63 TYR C C 63 175.393 175.393 175.262 0.131 19682 4941 1 10 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.825 -0.138 19682 4942 1 10 . 1 1 63 63 TYR CB C 63 44.326 44.326 41.524 2.802 19682 4943 1 10 . 1 1 63 63 TYR H H 63 8.815 8.815 8.797 0.018 19682 4944 1 10 . 1 1 64 64 HIS N N 64 121.957 121.957 125.164 -3.207 19682 4945 1 10 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.576 0.274 19682 4946 1 10 . 1 1 64 64 HIS C C 64 178.559 178.559 177.244 1.315 19682 4947 1 10 . 1 1 64 64 HIS CA C 64 57.490 57.490 57.305 0.185 19682 4948 1 10 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.020 1.016 19682 4949 1 10 . 1 1 64 64 HIS H H 64 9.276 9.276 8.167 1.109 19682 4950 1 10 . 1 1 65 65 THR N N 65 113.100 113.100 116.605 -3.505 19682 4951 1 10 . 1 1 65 65 THR HA H 65 3.603 3.603 3.860 -0.257 19682 4952 1 10 . 1 1 65 65 THR C C 65 176.824 176.824 176.058 0.766 19682 4953 1 10 . 1 1 65 65 THR CA C 65 64.805 64.805 66.078 -1.273 19682 4954 1 10 . 1 1 65 65 THR CB C 65 66.441 66.441 68.773 -2.332 19682 4955 1 10 . 1 1 65 65 THR H H 65 8.832 8.832 8.136 0.696 19682 4956 1 10 . 1 1 66 66 PHE N N 66 111.288 111.288 117.542 -6.254 19682 4957 1 10 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.608 0.117 19682 4958 1 10 . 1 1 66 66 PHE C C 66 176.846 176.846 176.497 0.349 19682 4959 1 10 . 1 1 66 66 PHE CA C 66 56.215 56.215 59.124 -2.909 19682 4960 1 10 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.490 -0.060 19682 4961 1 10 . 1 1 66 66 PHE H H 66 6.541 6.541 7.602 -1.061 19682 4962 1 10 . 1 1 67 67 CYS N N 67 123.228 123.228 117.933 5.295 19682 4963 1 10 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.347 0.146 19682 4964 1 10 . 1 1 67 67 CYS C C 67 174.627 174.627 175.575 -0.948 19682 4965 1 10 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.131 2.005 19682 4966 1 10 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.404 4.199 19682 4967 1 10 . 1 1 67 67 CYS H H 67 7.384 7.384 7.583 -0.199 19682 4968 1 10 . 1 1 68 68 LEU N N 68 119.645 119.645 120.747 -1.102 19682 4969 1 10 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.273 -0.146 19682 4970 1 10 . 1 1 68 68 LEU C C 68 174.738 174.738 175.462 -0.724 19682 4971 1 10 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.052 -0.041 19682 4972 1 10 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.611 1.512 19682 4973 1 10 . 1 1 68 68 LEU H H 68 6.514 6.514 7.248 -0.734 19682 4974 1 10 . 1 1 69 69 LEU N N 69 119.803 119.803 123.600 -3.797 19682 4975 1 10 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.742 -0.059 19682 4976 1 10 . 1 1 69 69 LEU C C 69 174.879 174.879 175.476 -0.597 19682 4977 1 10 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.747 -1.530 19682 4978 1 10 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.407 1.929 19682 4979 1 10 . 1 1 69 69 LEU H H 69 8.050 8.050 8.326 -0.276 19682 4980 1 10 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.764 0.270 19682 4981 1 10 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.511 0.534 19682 4982 1 10 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.513 1.520 19682 4983 1 10 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.639 -0.191 19682 4984 1 10 . 1 1 71 71 PRO C C 71 177.632 177.632 177.257 0.375 19682 4985 1 10 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.284 0.704 19682 4986 1 10 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.807 -0.678 19682 4987 1 10 . 1 1 72 72 LEU N N 72 121.033 121.033 124.123 -3.090 19682 4988 1 10 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.272 0.374 19682 4989 1 10 . 1 1 72 72 LEU C C 72 177.983 177.983 177.340 0.643 19682 4990 1 10 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.583 -0.546 19682 4991 1 10 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.217 4.167 19682 4992 1 10 . 1 1 72 72 LEU H H 72 7.660 7.660 8.039 -0.379 19682 4993 1 10 . 1 1 73 73 THR N N 73 112.645 112.645 113.746 -1.101 19682 4994 1 10 . 1 1 73 73 THR HA H 73 4.289 4.289 4.207 0.082 19682 4995 1 10 . 1 1 73 73 THR C C 73 174.305 174.305 175.358 -1.053 19682 4996 1 10 . 1 1 73 73 THR CA C 73 62.324 62.324 63.938 -1.614 19682 4997 1 10 . 1 1 73 73 THR CB C 73 69.019 69.019 69.242 -0.223 19682 4998 1 10 . 1 1 73 73 THR H H 73 8.694 8.694 7.802 0.892 19682 4999 1 10 . 1 1 74 74 SER N N 74 114.234 114.234 117.282 -3.048 19682 5000 1 10 . 1 1 74 74 SER HA H 74 4.584 4.584 4.593 -0.009 19682 5001 1 10 . 1 1 74 74 SER C C 74 172.833 172.833 174.108 -1.275 19682 5002 1 10 . 1 1 74 74 SER CA C 74 56.827 56.827 57.352 -0.525 19682 5003 1 10 . 1 1 74 74 SER CB C 74 64.678 64.678 63.682 0.996 19682 5004 1 10 . 1 1 74 74 SER H H 74 7.503 7.503 7.962 -0.459 19682 5005 1 10 . 1 1 75 75 ILE N N 75 123.720 123.720 124.819 -1.099 19682 5006 1 10 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.312 -0.233 19682 5007 1 10 . 1 1 75 75 ILE C C 75 174.819 174.819 175.651 -0.832 19682 5008 1 10 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.181 -0.573 19682 5009 1 10 . 1 1 75 75 ILE CB C 75 37.788 37.788 38.374 -0.586 19682 5010 1 10 . 1 1 75 75 ILE H H 75 8.498 8.498 8.466 0.032 19682 5011 1 10 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.552 -0.144 19682 5012 1 10 . 1 1 76 76 PRO C C 76 176.339 176.339 176.701 -0.362 19682 5013 1 10 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.589 0.415 19682 5014 1 10 . 1 1 76 76 PRO CB C 76 32.136 32.136 30.563 1.573 19682 5015 1 10 . 1 1 77 77 LYS N N 77 121.662 121.662 118.553 3.109 19682 5016 1 10 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.873 0.462 19682 5017 1 10 . 1 1 77 77 LYS C C 77 177.278 177.278 176.135 1.143 19682 5018 1 10 . 1 1 77 77 LYS CA C 77 56.298 56.298 58.349 -2.051 19682 5019 1 10 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.308 1.470 19682 5020 1 10 . 1 1 77 77 LYS H H 77 8.516 8.516 8.849 -0.333 19682 5021 1 10 . 1 1 78 78 GLY N N 78 110.250 110.250 106.075 4.175 19682 5022 1 10 . 1 1 78 78 GLY C C 78 172.995 172.995 173.477 -0.482 19682 5023 1 10 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.159 -0.613 19682 5024 1 10 . 1 1 78 78 GLY H H 78 8.150 8.150 8.153 -0.003 19682 5025 1 10 . 1 1 79 79 GLU N N 79 121.820 121.820 121.436 0.384 19682 5026 1 10 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.582 -0.213 19682 5027 1 10 . 1 1 79 79 GLU C C 79 175.847 175.847 175.141 0.706 19682 5028 1 10 . 1 1 79 79 GLU CA C 79 56.977 56.977 55.456 1.521 19682 5029 1 10 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.470 0.168 19682 5030 1 10 . 1 1 79 79 GLU H H 79 8.342 8.342 7.961 0.381 19682 5031 1 10 . 1 1 80 80 TRP N N 80 126.690 126.690 124.552 2.138 19682 5032 1 10 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.965 -0.451 19682 5033 1 10 . 1 1 80 80 TRP C C 80 172.733 172.733 173.969 -1.236 19682 5034 1 10 . 1 1 80 80 TRP CA C 80 59.568 59.568 57.232 2.336 19682 5035 1 10 . 1 1 80 80 TRP CB C 80 30.409 30.409 32.379 -1.970 19682 5036 1 10 . 1 1 80 80 TRP H H 80 9.370 9.370 8.175 1.195 19682 5037 1 10 . 1 1 81 81 LEU N N 81 125.572 125.572 126.766 -1.194 19682 5038 1 10 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.146 0.875 19682 5039 1 10 . 1 1 81 81 LEU C C 81 174.617 174.617 175.098 -0.481 19682 5040 1 10 . 1 1 81 81 LEU CA C 81 51.434 51.434 53.014 -1.580 19682 5041 1 10 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.028 1.833 19682 5042 1 10 . 1 1 81 81 LEU H H 81 6.540 6.540 7.915 -1.375 19682 5043 1 10 . 1 1 82 82 CYS N N 82 125.868 125.868 120.733 5.135 19682 5044 1 10 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.518 0.011 19682 5045 1 10 . 1 1 82 82 CYS C C 82 172.652 172.652 175.116 -2.464 19682 5046 1 10 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.165 1.397 19682 5047 1 10 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.384 3.160 19682 5048 1 10 . 1 1 82 82 CYS H H 82 9.086 9.086 7.835 1.251 19682 5049 1 10 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.967 0.101 19682 5050 1 10 . 1 1 83 83 PRO C C 83 178.541 178.541 178.562 -0.021 19682 5051 1 10 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.828 -0.561 19682 5052 1 10 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.716 0.493 19682 5053 1 10 . 1 1 84 84 ARG N N 84 117.140 117.140 118.222 -1.082 19682 5054 1 10 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.095 0.102 19682 5055 1 10 . 1 1 84 84 ARG C C 84 177.983 177.983 178.260 -0.277 19682 5056 1 10 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.884 -0.347 19682 5057 1 10 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.608 1.207 19682 5058 1 10 . 1 1 84 84 ARG H H 84 8.041 8.041 8.463 -0.422 19682 5059 1 10 . 1 1 85 85 CYS N N 85 123.417 123.417 116.105 7.312 19682 5060 1 10 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.234 -0.331 19682 5061 1 10 . 1 1 85 85 CYS C C 85 177.298 177.298 176.646 0.652 19682 5062 1 10 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.528 2.640 19682 5063 1 10 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.187 3.851 19682 5064 1 10 . 1 1 85 85 CYS H H 85 8.210 8.210 7.551 0.659 19682 5065 1 10 . 1 1 86 86 VAL N N 86 118.037 118.037 118.377 -0.340 19682 5066 1 10 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.829 -0.189 19682 5067 1 10 . 1 1 86 86 VAL C C 86 176.623 176.623 177.319 -0.696 19682 5068 1 10 . 1 1 86 86 VAL CA C 86 64.508 64.508 64.775 -0.267 19682 5069 1 10 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.420 0.382 19682 5070 1 10 . 1 1 86 86 VAL H H 86 7.951 7.951 7.230 0.721 19682 5071 1 10 . 1 1 87 87 VAL N N 87 119.227 119.227 118.728 0.499 19682 5072 1 10 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.771 0.205 19682 5073 1 10 . 1 1 87 87 VAL C C 87 176.774 176.774 176.763 0.011 19682 5074 1 10 . 1 1 87 87 VAL CA C 87 63.182 63.182 64.822 -1.640 19682 5075 1 10 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.316 0.894 19682 5076 1 10 . 1 1 87 87 VAL H H 87 7.255 7.255 7.449 -0.194 19682 5077 1 10 . 1 1 88 88 GLU N N 88 122.469 122.469 118.031 4.438 19682 5078 1 10 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.427 -0.228 19682 5079 1 10 . 1 1 88 88 GLU C C 88 176.623 176.623 175.683 0.940 19682 5080 1 10 . 1 1 88 88 GLU CA C 88 56.950 56.950 55.453 1.497 19682 5081 1 10 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.488 -0.398 19682 5082 1 10 . 1 1 88 88 GLU H H 88 7.986 7.986 7.815 0.171 19682 5083 1 10 . 1 1 89 89 GLU N N 89 121.343 121.343 121.987 -0.644 19682 5084 1 10 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.191 -0.002 19682 5085 1 10 . 1 1 89 89 GLU C C 89 176.744 176.744 176.342 0.402 19682 5086 1 10 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.766 0.190 19682 5087 1 10 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.571 0.341 19682 5088 1 10 . 1 1 89 89 GLU H H 89 8.168 8.168 8.642 -0.474 19682 5089 1 10 . 1 1 90 90 VAL N N 90 120.127 120.127 127.044 -6.917 19682 5090 1 10 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.012 0.072 19682 5091 1 10 . 1 1 90 90 VAL C C 90 176.290 176.290 175.355 0.935 19682 5092 1 10 . 1 1 90 90 VAL CA C 90 62.592 62.592 63.577 -0.985 19682 5093 1 10 . 1 1 90 90 VAL CB C 90 32.527 32.527 32.002 0.525 19682 5094 1 10 . 1 1 90 90 VAL H H 90 8.027 8.027 8.499 -0.472 19682 5095 1 10 . 1 1 91 91 SER N N 91 118.678 118.678 116.058 2.620 19682 5096 1 10 . 1 1 91 91 SER HA H 91 4.439 4.439 4.232 0.207 19682 5097 1 10 . 1 1 91 91 SER C C 91 173.932 173.932 173.299 0.633 19682 5098 1 10 . 1 1 91 91 SER CA C 91 58.189 58.189 58.888 -0.699 19682 5099 1 10 . 1 1 91 91 SER CB C 91 63.706 63.706 62.059 1.647 19682 5100 1 10 . 1 1 91 91 SER H H 91 8.222 8.222 8.176 0.046 19682 5101 1 10 . 1 1 92 92 LYS N N 92 124.547 124.547 123.534 1.013 19682 5102 1 10 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.679 -0.072 19682 5103 1 10 . 1 1 92 92 LYS C C 92 174.395 174.395 174.816 -0.421 19682 5104 1 10 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.569 0.703 19682 5105 1 10 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.762 -0.116 19682 5106 1 10 . 1 1 92 92 LYS H H 92 8.165 8.165 8.077 0.088 19682 5107 1 10 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.482 -0.063 19682 5108 1 10 . 1 1 93 93 PRO C C 93 176.194 176.194 175.909 0.285 19682 5109 1 10 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.205 0.213 19682 5110 1 10 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.228 0.668 19682 5111 1 11 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.544 0.206 19682 5112 1 11 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.885 0.407 19682 5113 1 11 . 1 1 2 2 HIS CB C 2 30.558 30.558 29.426 1.132 19682 5114 1 11 . 1 1 2 2 HIS H H 2 8.134 8.134 8.324 -0.190 19682 5115 1 11 . 1 1 3 3 MET N N 3 123.164 123.164 126.579 -3.415 19682 5116 1 11 . 1 1 3 3 MET HA H 3 4.494 4.494 4.511 -0.017 19682 5117 1 11 . 1 1 3 3 MET C C 3 176.078 176.078 175.724 0.354 19682 5118 1 11 . 1 1 3 3 MET CA C 3 55.504 55.504 53.962 1.542 19682 5119 1 11 . 1 1 3 3 MET CB C 3 32.860 32.860 31.788 1.072 19682 5120 1 11 . 1 1 3 3 MET H H 3 8.419 8.419 8.368 0.051 19682 5121 1 11 . 1 1 4 4 SER N N 4 117.403 117.403 122.173 -4.770 19682 5122 1 11 . 1 1 4 4 SER HA H 4 4.439 4.439 4.558 -0.119 19682 5123 1 11 . 1 1 4 4 SER C C 4 175.011 175.011 175.580 -0.569 19682 5124 1 11 . 1 1 4 4 SER CA C 4 58.516 58.516 57.910 0.606 19682 5125 1 11 . 1 1 4 4 SER CB C 4 63.773 63.773 62.101 1.672 19682 5126 1 11 . 1 1 4 4 SER H H 4 8.416 8.416 8.437 -0.021 19682 5127 1 11 . 1 1 5 5 GLY N N 5 111.174 111.174 113.368 -2.194 19682 5128 1 11 . 1 1 5 5 GLY C C 5 174.567 174.567 173.775 0.792 19682 5129 1 11 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.857 0.328 19682 5130 1 11 . 1 1 5 5 GLY H H 5 8.475 8.475 8.222 0.253 19682 5131 1 11 . 1 1 6 6 GLY N N 6 108.594 108.594 109.538 -0.944 19682 5132 1 11 . 1 1 6 6 GLY C C 6 173.781 173.781 174.245 -0.464 19682 5133 1 11 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.771 0.212 19682 5134 1 11 . 1 1 6 6 GLY H H 6 8.274 8.274 7.619 0.655 19682 5135 1 11 . 1 1 7 7 SER N N 7 116.558 116.558 119.205 -2.647 19682 5136 1 11 . 1 1 7 7 SER C C 7 172.995 172.995 173.041 -0.046 19682 5137 1 11 . 1 1 7 7 SER CA C 7 56.387 56.387 57.126 -0.739 19682 5138 1 11 . 1 1 7 7 SER CB C 7 63.508 63.508 63.351 0.157 19682 5139 1 11 . 1 1 7 7 SER H H 7 8.220 8.220 8.297 -0.077 19682 5140 1 11 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.571 -0.117 19682 5141 1 11 . 1 1 8 8 PRO C C 8 176.864 176.864 175.713 1.151 19682 5142 1 11 . 1 1 8 8 PRO CA C 8 63.349 63.349 63.067 0.282 19682 5143 1 11 . 1 1 8 8 PRO CB C 8 32.010 32.010 31.850 0.160 19682 5144 1 11 . 1 1 9 9 LEU N N 9 121.497 121.497 121.898 -0.401 19682 5145 1 11 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.869 -0.565 19682 5146 1 11 . 1 1 9 9 LEU C C 9 177.237 177.237 175.348 1.889 19682 5147 1 11 . 1 1 9 9 LEU CA C 9 55.023 55.023 53.734 1.289 19682 5148 1 11 . 1 1 9 9 LEU CB C 9 42.353 42.353 43.634 -1.281 19682 5149 1 11 . 1 1 9 9 LEU H H 9 8.196 8.196 8.163 0.033 19682 5150 1 11 . 1 1 10 10 ALA N N 10 124.964 124.964 122.652 2.312 19682 5151 1 11 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.566 -0.164 19682 5152 1 11 . 1 1 10 10 ALA C C 10 177.812 177.812 176.405 1.407 19682 5153 1 11 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.060 0.348 19682 5154 1 11 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.607 -0.369 19682 5155 1 11 . 1 1 10 10 ALA H H 10 8.242 8.242 8.674 -0.432 19682 5156 1 11 . 1 1 11 11 THR N N 11 112.852 112.852 119.754 -6.902 19682 5157 1 11 . 1 1 11 11 THR HA H 11 4.341 4.341 4.298 0.043 19682 5158 1 11 . 1 1 11 11 THR C C 11 175.181 175.181 174.989 0.192 19682 5159 1 11 . 1 1 11 11 THR CA C 11 61.870 61.870 62.682 -0.812 19682 5160 1 11 . 1 1 11 11 THR CB C 11 69.622 69.622 68.828 0.794 19682 5161 1 11 . 1 1 11 11 THR H H 11 8.081 8.081 8.397 -0.316 19682 5162 1 11 . 1 1 12 12 GLY N N 12 110.929 110.929 113.636 -2.707 19682 5163 1 11 . 1 1 12 12 GLY C C 12 174.395 174.395 173.784 0.611 19682 5164 1 11 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.154 0.222 19682 5165 1 11 . 1 1 12 12 GLY H H 12 8.408 8.408 8.354 0.054 19682 5166 1 11 . 1 1 13 13 THR N N 13 113.482 113.482 115.692 -2.210 19682 5167 1 11 . 1 1 13 13 THR HA H 13 4.445 4.445 4.549 -0.104 19682 5168 1 11 . 1 1 13 13 THR C C 13 174.889 174.889 173.582 1.307 19682 5169 1 11 . 1 1 13 13 THR CA C 13 61.816 61.816 62.038 -0.223 19682 5170 1 11 . 1 1 13 13 THR CB C 13 69.812 69.812 70.667 -0.855 19682 5171 1 11 . 1 1 13 13 THR H H 13 8.130 8.130 8.016 0.114 19682 5172 1 11 . 1 1 14 14 THR N N 14 116.080 116.080 121.409 -5.329 19682 5173 1 11 . 1 1 14 14 THR HA H 14 4.370 4.370 4.469 -0.099 19682 5174 1 11 . 1 1 14 14 THR C C 14 174.385 174.385 173.361 1.024 19682 5175 1 11 . 1 1 14 14 THR CA C 14 61.788 61.788 62.501 -0.713 19682 5176 1 11 . 1 1 14 14 THR CB C 14 69.696 69.696 69.257 0.439 19682 5177 1 11 . 1 1 14 14 THR H H 14 8.199 8.199 8.287 -0.088 19682 5178 1 11 . 1 1 15 15 ALA N N 15 126.054 126.054 130.467 -4.413 19682 5179 1 11 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.590 -0.289 19682 5180 1 11 . 1 1 15 15 ALA C C 15 177.469 177.469 176.544 0.925 19682 5181 1 11 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.565 1.281 19682 5182 1 11 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.775 0.409 19682 5183 1 11 . 1 1 15 15 ALA H H 15 8.349 8.349 8.472 -0.123 19682 5184 1 11 . 1 1 16 16 ASN N N 16 117.718 117.718 119.821 -2.103 19682 5185 1 11 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.986 -0.242 19682 5186 1 11 . 1 1 16 16 ASN C C 16 175.575 175.575 174.665 0.910 19682 5187 1 11 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.774 0.423 19682 5188 1 11 . 1 1 16 16 ASN CB C 16 38.732 38.732 40.537 -1.805 19682 5189 1 11 . 1 1 16 16 ASN H H 16 8.403 8.403 8.460 -0.057 19682 5190 1 11 . 1 1 17 17 THR N N 17 114.153 114.153 116.429 -2.276 19682 5191 1 11 . 1 1 17 17 THR HA H 17 4.312 4.312 4.505 -0.193 19682 5192 1 11 . 1 1 17 17 THR C C 17 174.799 174.799 174.435 0.364 19682 5193 1 11 . 1 1 17 17 THR CA C 17 61.973 61.973 61.019 0.954 19682 5194 1 11 . 1 1 17 17 THR CB C 17 69.624 69.624 69.315 0.309 19682 5195 1 11 . 1 1 17 17 THR H H 17 8.081 8.081 8.290 -0.209 19682 5196 1 11 . 1 1 18 18 ARG N N 18 122.990 122.990 124.011 -1.021 19682 5197 1 11 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.731 -0.406 19682 5198 1 11 . 1 1 18 18 ARG C C 18 176.875 176.875 176.026 0.849 19682 5199 1 11 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.201 1.350 19682 5200 1 11 . 1 1 18 18 ARG CB C 18 30.587 30.587 29.893 0.694 19682 5201 1 11 . 1 1 18 18 ARG H H 18 8.351 8.351 8.530 -0.179 19682 5202 1 11 . 1 1 19 19 GLY N N 19 109.993 109.993 110.066 -0.073 19682 5203 1 11 . 1 1 19 19 GLY C C 19 174.002 174.002 173.423 0.579 19682 5204 1 11 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.832 -0.518 19682 5205 1 11 . 1 1 19 19 GLY H H 19 8.394 8.394 8.138 0.256 19682 5206 1 11 . 1 1 20 20 ALA N N 20 123.732 123.732 124.994 -1.262 19682 5207 1 11 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.522 -0.180 19682 5208 1 11 . 1 1 20 20 ALA C C 20 178.034 178.034 177.919 0.115 19682 5209 1 11 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.142 0.509 19682 5210 1 11 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.884 -0.663 19682 5211 1 11 . 1 1 20 20 ALA H H 20 8.185 8.185 8.287 -0.102 19682 5212 1 11 . 1 1 21 21 SER N N 21 114.750 114.750 115.083 -0.333 19682 5213 1 11 . 1 1 21 21 SER HA H 21 4.419 4.419 4.225 0.194 19682 5214 1 11 . 1 1 21 21 SER C C 21 174.627 174.627 175.466 -0.839 19682 5215 1 11 . 1 1 21 21 SER CA C 21 58.495 58.495 59.635 -1.139 19682 5216 1 11 . 1 1 21 21 SER CB C 21 63.697 63.697 63.324 0.373 19682 5217 1 11 . 1 1 21 21 SER H H 21 8.319 8.319 8.458 -0.139 19682 5218 1 11 . 1 1 22 22 GLN N N 22 122.092 122.092 117.915 4.177 19682 5219 1 11 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.297 0.047 19682 5220 1 11 . 1 1 22 22 GLN C C 22 175.857 175.857 176.673 -0.816 19682 5221 1 11 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.673 0.102 19682 5222 1 11 . 1 1 22 22 GLN CB C 22 29.398 29.398 27.113 2.285 19682 5223 1 11 . 1 1 22 22 GLN H H 22 8.343 8.343 8.101 0.242 19682 5224 1 11 . 1 1 23 23 LYS N N 23 122.663 122.663 120.891 1.772 19682 5225 1 11 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.043 0.254 19682 5226 1 11 . 1 1 23 23 LYS C C 23 176.502 176.502 177.186 -0.684 19682 5227 1 11 . 1 1 23 23 LYS CA C 23 56.315 56.315 58.206 -1.891 19682 5228 1 11 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.649 0.399 19682 5229 1 11 . 1 1 23 23 LYS H H 23 8.309 8.309 8.054 0.255 19682 5230 1 11 . 1 1 24 24 LYS N N 24 123.434 123.434 119.270 4.164 19682 5231 1 11 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.366 -0.040 19682 5232 1 11 . 1 1 24 24 LYS C C 24 177.026 177.026 175.839 1.187 19682 5233 1 11 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.109 0.250 19682 5234 1 11 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.604 -0.611 19682 5235 1 11 . 1 1 24 24 LYS H H 24 8.469 8.469 8.053 0.416 19682 5236 1 11 . 1 1 25 25 GLY N N 25 110.813 110.813 106.482 4.331 19682 5237 1 11 . 1 1 25 25 GLY C C 25 174.476 174.476 174.813 -0.337 19682 5238 1 11 . 1 1 25 25 GLY CA C 25 45.274 45.274 45.045 0.229 19682 5239 1 11 . 1 1 25 25 GLY H H 25 8.531 8.531 8.409 0.122 19682 5240 1 11 . 1 1 26 26 GLY N N 26 108.690 108.690 110.032 -1.342 19682 5241 1 11 . 1 1 26 26 GLY C C 26 173.851 173.851 174.132 -0.281 19682 5242 1 11 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.913 0.156 19682 5243 1 11 . 1 1 26 26 GLY H H 26 8.279 8.279 8.555 -0.276 19682 5244 1 11 . 1 1 27 27 GLU N N 27 121.707 121.707 123.422 -1.715 19682 5245 1 11 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.426 0.158 19682 5246 1 11 . 1 1 27 27 GLU C C 27 174.204 174.204 175.215 -1.011 19682 5247 1 11 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.852 -0.412 19682 5248 1 11 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.896 -0.459 19682 5249 1 11 . 1 1 27 27 GLU H H 27 8.321 8.321 8.284 0.037 19682 5250 1 11 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.765 -0.371 19682 5251 1 11 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.440 1.371 19682 5252 1 11 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.504 0.654 19682 5253 1 11 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.474 -0.077 19682 5254 1 11 . 1 1 29 29 PRO C C 29 176.462 176.462 176.279 0.183 19682 5255 1 11 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.679 0.165 19682 5256 1 11 . 1 1 29 29 PRO CB C 29 31.961 31.961 32.233 -0.272 19682 5257 1 11 . 1 1 30 30 ALA N N 30 123.850 123.850 126.335 -2.485 19682 5258 1 11 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.418 -0.144 19682 5259 1 11 . 1 1 30 30 ALA C C 30 177.368 177.368 177.015 0.353 19682 5260 1 11 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.098 0.159 19682 5261 1 11 . 1 1 30 30 ALA CB C 30 19.237 19.237 18.645 0.592 19682 5262 1 11 . 1 1 30 30 ALA H H 30 8.290 8.290 8.259 0.031 19682 5263 1 11 . 1 1 31 31 LEU N N 31 121.430 121.430 124.351 -2.921 19682 5264 1 11 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.747 -0.414 19682 5265 1 11 . 1 1 31 31 LEU C C 31 176.804 176.804 177.398 -0.594 19682 5266 1 11 . 1 1 31 31 LEU CA C 31 55.015 55.015 53.804 1.211 19682 5267 1 11 . 1 1 31 31 LEU CB C 31 42.444 42.444 43.609 -1.165 19682 5268 1 11 . 1 1 31 31 LEU H H 31 8.139 8.139 8.380 -0.241 19682 5269 1 11 . 1 1 32 32 ILE N N 32 123.070 123.070 120.764 2.306 19682 5270 1 11 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.371 -0.203 19682 5271 1 11 . 1 1 32 32 ILE C C 32 175.887 175.887 176.031 -0.144 19682 5272 1 11 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.027 -0.337 19682 5273 1 11 . 1 1 32 32 ILE CB C 32 38.477 38.477 38.632 -0.155 19682 5274 1 11 . 1 1 32 32 ILE H H 32 8.140 8.140 8.087 0.053 19682 5275 1 11 . 1 1 33 33 VAL N N 33 124.923 124.923 119.255 5.668 19682 5276 1 11 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.063 0.024 19682 5277 1 11 . 1 1 33 33 VAL C C 33 175.232 175.232 175.966 -0.734 19682 5278 1 11 . 1 1 33 33 VAL CA C 33 61.851 61.851 63.955 -2.103 19682 5279 1 11 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.120 0.800 19682 5280 1 11 . 1 1 33 33 VAL H H 33 8.198 8.198 8.347 -0.149 19682 5281 1 11 . 1 1 34 34 ASP N N 34 125.813 125.813 119.221 6.592 19682 5282 1 11 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.873 -0.013 19682 5283 1 11 . 1 1 34 34 ASP C C 34 174.919 174.919 175.570 -0.651 19682 5284 1 11 . 1 1 34 34 ASP CA C 34 51.926 51.926 50.896 1.030 19682 5285 1 11 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.134 0.370 19682 5286 1 11 . 1 1 34 34 ASP H H 34 8.336 8.336 7.941 0.395 19682 5287 1 11 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.358 0.006 19682 5288 1 11 . 1 1 35 35 PRO C C 35 177.091 177.091 177.153 -0.062 19682 5289 1 11 . 1 1 35 35 PRO CA C 35 63.514 63.514 64.224 -0.710 19682 5290 1 11 . 1 1 35 35 PRO CB C 35 32.173 32.173 31.990 0.183 19682 5291 1 11 . 1 1 36 36 LEU N N 36 119.977 119.977 115.579 4.398 19682 5292 1 11 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.350 -0.094 19682 5293 1 11 . 1 1 36 36 LEU C C 36 177.479 177.479 176.682 0.797 19682 5294 1 11 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.402 0.824 19682 5295 1 11 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.780 -0.145 19682 5296 1 11 . 1 1 36 36 LEU H H 36 8.316 8.316 7.672 0.644 19682 5297 1 11 . 1 1 37 37 MET N N 37 120.231 120.231 116.289 3.942 19682 5298 1 11 . 1 1 37 37 MET HA H 37 4.326 4.326 3.989 0.337 19682 5299 1 11 . 1 1 37 37 MET C C 37 175.171 175.171 174.928 0.243 19682 5300 1 11 . 1 1 37 37 MET CA C 37 55.160 55.160 55.756 -0.596 19682 5301 1 11 . 1 1 37 37 MET CB C 37 32.514 32.514 29.798 2.716 19682 5302 1 11 . 1 1 37 37 MET H H 37 7.893 7.893 7.321 0.572 19682 5303 1 11 . 1 1 38 38 LYS N N 38 122.361 122.361 120.254 2.107 19682 5304 1 11 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.453 -0.293 19682 5305 1 11 . 1 1 38 38 LYS C C 38 175.837 175.837 176.391 -0.554 19682 5306 1 11 . 1 1 38 38 LYS CA C 38 56.105 56.105 54.483 1.622 19682 5307 1 11 . 1 1 38 38 LYS CB C 38 33.214 33.214 31.568 1.646 19682 5308 1 11 . 1 1 38 38 LYS H H 38 7.929 7.929 7.919 0.010 19682 5309 1 11 . 1 1 39 39 TYR N N 39 120.347 120.347 126.002 -5.655 19682 5310 1 11 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.516 0.054 19682 5311 1 11 . 1 1 39 39 TYR C C 39 174.325 174.325 175.160 -0.835 19682 5312 1 11 . 1 1 39 39 TYR CA C 39 57.424 57.424 57.547 -0.123 19682 5313 1 11 . 1 1 39 39 TYR CB C 39 38.609 38.609 36.696 1.913 19682 5314 1 11 . 1 1 39 39 TYR H H 39 8.020 8.020 8.449 -0.429 19682 5315 1 11 . 1 1 40 40 ILE N N 40 119.688 119.688 121.381 -1.693 19682 5316 1 11 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.303 -0.328 19682 5317 1 11 . 1 1 40 40 ILE C C 40 175.181 175.181 175.023 0.158 19682 5318 1 11 . 1 1 40 40 ILE CA C 40 58.580 58.580 59.985 -1.405 19682 5319 1 11 . 1 1 40 40 ILE CB C 40 39.694 39.694 40.824 -1.130 19682 5320 1 11 . 1 1 40 40 ILE H H 40 8.000 8.000 7.504 0.496 19682 5321 1 11 . 1 1 41 41 CYS N N 41 129.049 129.049 128.609 0.440 19682 5322 1 11 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.251 -0.279 19682 5323 1 11 . 1 1 41 41 CYS C C 41 177.197 177.197 176.214 0.983 19682 5324 1 11 . 1 1 41 41 CYS CA C 41 59.057 59.057 57.916 1.141 19682 5325 1 11 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.899 5.475 19682 5326 1 11 . 1 1 41 41 CYS H H 41 7.990 7.990 8.707 -0.717 19682 5327 1 11 . 1 1 42 42 HIS N N 42 127.633 127.633 128.279 -0.646 19682 5328 1 11 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.247 -0.115 19682 5329 1 11 . 1 1 42 42 HIS C C 42 174.385 174.385 175.706 -1.321 19682 5330 1 11 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.383 0.608 19682 5331 1 11 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.423 -0.723 19682 5332 1 11 . 1 1 42 42 HIS H H 42 8.933 8.933 8.299 0.634 19682 5333 1 11 . 1 1 43 43 ILE N N 43 119.482 119.482 117.960 1.522 19682 5334 1 11 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.198 -0.033 19682 5335 1 11 . 1 1 43 43 ILE C C 43 176.673 176.673 176.418 0.255 19682 5336 1 11 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.717 -0.595 19682 5337 1 11 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.590 -1.256 19682 5338 1 11 . 1 1 43 43 ILE H H 43 8.944 8.944 7.792 1.152 19682 5339 1 11 . 1 1 44 44 CYS N N 44 117.996 117.996 117.611 0.385 19682 5340 1 11 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.699 0.185 19682 5341 1 11 . 1 1 44 44 CYS C C 44 176.008 176.008 176.283 -0.275 19682 5342 1 11 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.328 -0.327 19682 5343 1 11 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.640 2.414 19682 5344 1 11 . 1 1 44 44 CYS H H 44 8.221 8.221 8.019 0.202 19682 5345 1 11 . 1 1 45 45 ASN N N 45 117.410 117.410 117.465 -0.055 19682 5346 1 11 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.370 0.017 19682 5347 1 11 . 1 1 45 45 ASN C C 45 173.893 173.893 174.164 -0.271 19682 5348 1 11 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.526 -0.512 19682 5349 1 11 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.713 0.141 19682 5350 1 11 . 1 1 45 45 ASN H H 45 8.040 8.040 8.908 -0.868 19682 5351 1 11 . 1 1 46 46 ARG N N 46 117.127 117.127 121.436 -4.309 19682 5352 1 11 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.478 0.242 19682 5353 1 11 . 1 1 46 46 ARG C C 46 176.865 176.865 176.642 0.223 19682 5354 1 11 . 1 1 46 46 ARG CA C 46 55.427 55.427 56.139 -0.712 19682 5355 1 11 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.362 3.790 19682 5356 1 11 . 1 1 46 46 ARG H H 46 8.201 8.201 7.896 0.305 19682 5357 1 11 . 1 1 47 47 GLY N N 47 109.334 109.334 110.648 -1.314 19682 5358 1 11 . 1 1 47 47 GLY C C 47 173.670 173.670 173.834 -0.164 19682 5359 1 11 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.363 0.654 19682 5360 1 11 . 1 1 47 47 GLY H H 47 8.902 8.902 8.818 0.084 19682 5361 1 11 . 1 1 48 48 ASP N N 48 117.908 117.908 120.404 -2.496 19682 5362 1 11 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.521 0.179 19682 5363 1 11 . 1 1 48 48 ASP C C 48 173.871 173.871 177.183 -3.312 19682 5364 1 11 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.153 -3.744 19682 5365 1 11 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.287 -0.428 19682 5366 1 11 . 1 1 48 48 ASP H H 48 8.046 8.046 8.173 -0.127 19682 5367 1 11 . 1 1 49 49 VAL N N 49 117.921 117.921 120.406 -2.485 19682 5368 1 11 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.118 -0.415 19682 5369 1 11 . 1 1 49 49 VAL C C 49 177.096 177.096 175.491 1.605 19682 5370 1 11 . 1 1 49 49 VAL CA C 49 62.491 62.491 61.786 0.705 19682 5371 1 11 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.439 -1.016 19682 5372 1 11 . 1 1 49 49 VAL H H 49 8.772 8.772 8.055 0.717 19682 5373 1 11 . 1 1 50 50 GLU N N 50 120.434 120.434 125.097 -4.663 19682 5374 1 11 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.104 -0.272 19682 5375 1 11 . 1 1 50 50 GLU C C 50 178.779 178.779 178.181 0.598 19682 5376 1 11 . 1 1 50 50 GLU CA C 50 59.920 59.920 59.088 0.832 19682 5377 1 11 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.944 -0.807 19682 5378 1 11 . 1 1 50 50 GLU H H 50 9.047 9.047 7.930 1.117 19682 5379 1 11 . 1 1 51 51 GLU N N 51 119.158 119.158 117.968 1.190 19682 5380 1 11 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.101 0.206 19682 5381 1 11 . 1 1 51 51 GLU C C 51 177.358 177.358 177.100 0.258 19682 5382 1 11 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.569 -0.313 19682 5383 1 11 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.470 -1.245 19682 5384 1 11 . 1 1 51 51 GLU H H 51 9.822 9.822 8.682 1.140 19682 5385 1 11 . 1 1 52 52 SER N N 52 116.430 116.430 112.876 3.554 19682 5386 1 11 . 1 1 52 52 SER HA H 52 4.716 4.716 4.622 0.094 19682 5387 1 11 . 1 1 52 52 SER C C 52 172.309 172.309 173.126 -0.817 19682 5388 1 11 . 1 1 52 52 SER CA C 52 57.745 57.745 57.708 0.037 19682 5389 1 11 . 1 1 52 52 SER CB C 52 64.494 64.494 63.715 0.779 19682 5390 1 11 . 1 1 52 52 SER H H 52 8.291 8.291 7.941 0.350 19682 5391 1 11 . 1 1 53 53 MET N N 53 121.812 121.812 121.138 0.674 19682 5392 1 11 . 1 1 53 53 MET HA H 53 4.577 4.577 4.896 -0.319 19682 5393 1 11 . 1 1 53 53 MET C C 53 174.385 174.385 174.596 -0.211 19682 5394 1 11 . 1 1 53 53 MET CA C 53 54.784 54.784 55.259 -0.475 19682 5395 1 11 . 1 1 53 53 MET CB C 53 33.410 33.410 34.761 -1.351 19682 5396 1 11 . 1 1 53 53 MET H H 53 7.648 7.648 7.355 0.293 19682 5397 1 11 . 1 1 54 54 LEU N N 54 128.167 128.167 123.797 4.370 19682 5398 1 11 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.657 -0.409 19682 5399 1 11 . 1 1 54 54 LEU C C 54 175.111 175.111 174.927 0.184 19682 5400 1 11 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.454 0.169 19682 5401 1 11 . 1 1 54 54 LEU CB C 54 43.759 43.759 44.259 -0.500 19682 5402 1 11 . 1 1 54 54 LEU H H 54 9.007 9.007 8.617 0.390 19682 5403 1 11 . 1 1 55 55 LEU N N 55 122.173 122.173 120.407 1.766 19682 5404 1 11 . 1 1 55 55 LEU HA H 55 4.805 4.805 5.064 -0.259 19682 5405 1 11 . 1 1 55 55 LEU C C 55 176.260 176.260 175.346 0.914 19682 5406 1 11 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.432 -0.185 19682 5407 1 11 . 1 1 55 55 LEU CB C 55 43.273 43.273 45.614 -2.341 19682 5408 1 11 . 1 1 55 55 LEU H H 55 8.139 8.139 8.512 -0.373 19682 5409 1 11 . 1 1 56 56 CYS N N 56 126.541 126.541 124.825 1.716 19682 5410 1 11 . 1 1 56 56 CYS HA H 56 4.726 4.726 5.152 -0.426 19682 5411 1 11 . 1 1 56 56 CYS C C 56 177.671 177.671 175.796 1.875 19682 5412 1 11 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.768 1.452 19682 5413 1 11 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.447 4.636 19682 5414 1 11 . 1 1 56 56 CYS H H 56 8.996 8.996 8.502 0.494 19682 5415 1 11 . 1 1 57 57 ASP N N 57 130.338 130.338 126.175 4.163 19682 5416 1 11 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.489 0.178 19682 5417 1 11 . 1 1 57 57 ASP C C 57 176.159 176.159 176.829 -0.670 19682 5418 1 11 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.602 0.855 19682 5419 1 11 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.569 0.632 19682 5420 1 11 . 1 1 57 57 ASP H H 57 9.373 9.373 8.318 1.055 19682 5421 1 11 . 1 1 58 58 GLY N N 58 114.137 114.137 107.457 6.680 19682 5422 1 11 . 1 1 58 58 GLY C C 58 174.801 174.801 174.921 -0.120 19682 5423 1 11 . 1 1 58 58 GLY CA C 58 45.982 45.982 45.132 0.850 19682 5424 1 11 . 1 1 58 58 GLY H H 58 10.023 10.023 8.441 1.582 19682 5425 1 11 . 1 1 59 59 CYS N N 59 120.775 120.775 118.867 1.908 19682 5426 1 11 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.502 0.389 19682 5427 1 11 . 1 1 59 59 CYS C C 59 175.564 175.564 173.999 1.565 19682 5428 1 11 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.496 1.245 19682 5429 1 11 . 1 1 59 59 CYS CB C 59 33.079 33.079 28.235 4.844 19682 5430 1 11 . 1 1 59 59 CYS H H 59 8.132 8.132 7.687 0.445 19682 5431 1 11 . 1 1 60 60 ASP N N 60 119.232 119.232 121.759 -2.527 19682 5432 1 11 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.771 -0.082 19682 5433 1 11 . 1 1 60 60 ASP C C 60 174.738 174.738 174.613 0.125 19682 5434 1 11 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.232 2.233 19682 5435 1 11 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.160 -0.119 19682 5436 1 11 . 1 1 60 60 ASP H H 60 8.085 8.085 8.463 -0.378 19682 5437 1 11 . 1 1 61 61 ASP N N 61 121.704 121.704 121.138 0.566 19682 5438 1 11 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.380 0.469 19682 5439 1 11 . 1 1 61 61 ASP C C 61 175.454 175.454 174.015 1.439 19682 5440 1 11 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.607 1.886 19682 5441 1 11 . 1 1 61 61 ASP CB C 61 42.194 42.194 42.512 -0.318 19682 5442 1 11 . 1 1 61 61 ASP H H 61 8.703 8.703 8.012 0.691 19682 5443 1 11 . 1 1 62 62 SER N N 62 113.381 113.381 113.753 -0.372 19682 5444 1 11 . 1 1 62 62 SER HA H 62 5.703 5.703 5.473 0.230 19682 5445 1 11 . 1 1 62 62 SER C C 62 173.821 173.821 172.655 1.166 19682 5446 1 11 . 1 1 62 62 SER CA C 62 56.165 56.165 57.048 -0.883 19682 5447 1 11 . 1 1 62 62 SER CB C 62 65.275 65.275 66.483 -1.208 19682 5448 1 11 . 1 1 62 62 SER H H 62 8.313 8.313 7.936 0.377 19682 5449 1 11 . 1 1 63 63 TYR N N 63 120.467 120.467 120.070 0.397 19682 5450 1 11 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.531 0.820 19682 5451 1 11 . 1 1 63 63 TYR C C 63 175.393 175.393 174.466 0.927 19682 5452 1 11 . 1 1 63 63 TYR CA C 63 56.687 56.687 57.239 -0.551 19682 5453 1 11 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.932 1.393 19682 5454 1 11 . 1 1 63 63 TYR H H 63 8.815 8.815 8.554 0.261 19682 5455 1 11 . 1 1 64 64 HIS N N 64 121.957 121.957 122.764 -0.807 19682 5456 1 11 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.632 0.218 19682 5457 1 11 . 1 1 64 64 HIS C C 64 178.559 178.559 176.459 2.100 19682 5458 1 11 . 1 1 64 64 HIS CA C 64 57.490 57.490 56.283 1.206 19682 5459 1 11 . 1 1 64 64 HIS CB C 64 31.036 31.036 29.756 1.280 19682 5460 1 11 . 1 1 64 64 HIS H H 64 9.276 9.276 7.995 1.281 19682 5461 1 11 . 1 1 65 65 THR N N 65 113.100 113.100 116.847 -3.747 19682 5462 1 11 . 1 1 65 65 THR HA H 65 3.603 3.603 3.909 -0.306 19682 5463 1 11 . 1 1 65 65 THR C C 65 176.824 176.824 176.033 0.791 19682 5464 1 11 . 1 1 65 65 THR CA C 65 64.805 64.805 65.143 -0.338 19682 5465 1 11 . 1 1 65 65 THR CB C 65 66.441 66.441 69.076 -2.635 19682 5466 1 11 . 1 1 65 65 THR H H 65 8.832 8.832 8.322 0.510 19682 5467 1 11 . 1 1 66 66 PHE N N 66 111.288 111.288 118.216 -6.928 19682 5468 1 11 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.421 0.304 19682 5469 1 11 . 1 1 66 66 PHE C C 66 176.846 176.846 176.270 0.576 19682 5470 1 11 . 1 1 66 66 PHE CA C 66 56.215 56.215 59.264 -3.049 19682 5471 1 11 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.919 -0.489 19682 5472 1 11 . 1 1 66 66 PHE H H 66 6.541 6.541 7.967 -1.426 19682 5473 1 11 . 1 1 67 67 CYS N N 67 123.228 123.228 116.880 6.348 19682 5474 1 11 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.656 -0.163 19682 5475 1 11 . 1 1 67 67 CYS C C 67 174.627 174.627 174.971 -0.344 19682 5476 1 11 . 1 1 67 67 CYS CA C 67 62.136 62.136 56.871 5.265 19682 5477 1 11 . 1 1 67 67 CYS CB C 67 30.603 30.603 25.917 4.686 19682 5478 1 11 . 1 1 67 67 CYS H H 67 7.384 7.384 7.323 0.061 19682 5479 1 11 . 1 1 68 68 LEU N N 68 119.645 119.645 121.361 -1.716 19682 5480 1 11 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.624 -0.497 19682 5481 1 11 . 1 1 68 68 LEU C C 68 174.738 174.738 175.611 -0.873 19682 5482 1 11 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.982 1.029 19682 5483 1 11 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.899 -0.776 19682 5484 1 11 . 1 1 68 68 LEU H H 68 6.514 6.514 7.319 -0.805 19682 5485 1 11 . 1 1 69 69 LEU N N 69 119.803 119.803 121.374 -1.571 19682 5486 1 11 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.745 -0.062 19682 5487 1 11 . 1 1 69 69 LEU C C 69 174.879 174.879 175.441 -0.562 19682 5488 1 11 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.551 -1.334 19682 5489 1 11 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.960 1.375 19682 5490 1 11 . 1 1 69 69 LEU H H 69 8.050 8.050 8.225 -0.175 19682 5491 1 11 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.814 0.220 19682 5492 1 11 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.354 0.691 19682 5493 1 11 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.548 1.485 19682 5494 1 11 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.631 -0.183 19682 5495 1 11 . 1 1 71 71 PRO C C 71 177.632 177.632 176.996 0.636 19682 5496 1 11 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.476 0.512 19682 5497 1 11 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.830 -0.701 19682 5498 1 11 . 1 1 72 72 LEU N N 72 121.033 121.033 126.717 -5.684 19682 5499 1 11 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.453 0.193 19682 5500 1 11 . 1 1 72 72 LEU C C 72 177.983 177.983 177.117 0.866 19682 5501 1 11 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.121 -0.084 19682 5502 1 11 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.467 3.917 19682 5503 1 11 . 1 1 72 72 LEU H H 72 7.660 7.660 7.995 -0.335 19682 5504 1 11 . 1 1 73 73 THR N N 73 112.645 112.645 115.237 -2.592 19682 5505 1 11 . 1 1 73 73 THR HA H 73 4.289 4.289 4.089 0.200 19682 5506 1 11 . 1 1 73 73 THR C C 73 174.305 174.305 175.513 -1.208 19682 5507 1 11 . 1 1 73 73 THR CA C 73 62.324 62.324 64.447 -2.123 19682 5508 1 11 . 1 1 73 73 THR CB C 73 69.019 69.019 69.053 -0.034 19682 5509 1 11 . 1 1 73 73 THR H H 73 8.694 8.694 7.861 0.833 19682 5510 1 11 . 1 1 74 74 SER N N 74 114.234 114.234 117.747 -3.513 19682 5511 1 11 . 1 1 74 74 SER HA H 74 4.584 4.584 4.518 0.066 19682 5512 1 11 . 1 1 74 74 SER C C 74 172.833 172.833 173.590 -0.757 19682 5513 1 11 . 1 1 74 74 SER CA C 74 56.827 56.827 58.041 -1.214 19682 5514 1 11 . 1 1 74 74 SER CB C 74 64.678 64.678 63.213 1.465 19682 5515 1 11 . 1 1 74 74 SER H H 74 7.503 7.503 8.246 -0.743 19682 5516 1 11 . 1 1 75 75 ILE N N 75 123.720 123.720 126.517 -2.797 19682 5517 1 11 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.281 -0.202 19682 5518 1 11 . 1 1 75 75 ILE C C 75 174.819 174.819 175.107 -0.288 19682 5519 1 11 . 1 1 75 75 ILE CA C 75 58.608 58.608 58.697 -0.089 19682 5520 1 11 . 1 1 75 75 ILE CB C 75 37.788 37.788 38.264 -0.476 19682 5521 1 11 . 1 1 75 75 ILE H H 75 8.498 8.498 8.203 0.295 19682 5522 1 11 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.576 -0.168 19682 5523 1 11 . 1 1 76 76 PRO C C 76 176.339 176.339 176.076 0.263 19682 5524 1 11 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.017 0.987 19682 5525 1 11 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.230 0.907 19682 5526 1 11 . 1 1 77 77 LYS N N 77 121.662 121.662 125.626 -3.964 19682 5527 1 11 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.131 0.204 19682 5528 1 11 . 1 1 77 77 LYS C C 77 177.278 177.278 175.893 1.385 19682 5529 1 11 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.459 -0.161 19682 5530 1 11 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.458 1.319 19682 5531 1 11 . 1 1 77 77 LYS H H 77 8.516 8.516 8.636 -0.120 19682 5532 1 11 . 1 1 78 78 GLY N N 78 110.250 110.250 110.450 -0.200 19682 5533 1 11 . 1 1 78 78 GLY C C 78 172.995 172.995 172.699 0.296 19682 5534 1 11 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.128 -0.582 19682 5535 1 11 . 1 1 78 78 GLY H H 78 8.150 8.150 7.814 0.336 19682 5536 1 11 . 1 1 79 79 GLU N N 79 121.820 121.820 121.273 0.547 19682 5537 1 11 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.287 0.083 19682 5538 1 11 . 1 1 79 79 GLU C C 79 175.847 175.847 175.883 -0.036 19682 5539 1 11 . 1 1 79 79 GLU CA C 79 56.977 56.977 57.166 -0.189 19682 5540 1 11 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.152 1.486 19682 5541 1 11 . 1 1 79 79 GLU H H 79 8.342 8.342 8.409 -0.067 19682 5542 1 11 . 1 1 80 80 TRP N N 80 126.690 126.690 129.071 -2.381 19682 5543 1 11 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.816 -0.302 19682 5544 1 11 . 1 1 80 80 TRP C C 80 172.733 172.733 174.390 -1.657 19682 5545 1 11 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.889 2.679 19682 5546 1 11 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.515 -1.106 19682 5547 1 11 . 1 1 80 80 TRP H H 80 9.370 9.370 8.362 1.008 19682 5548 1 11 . 1 1 81 81 LEU N N 81 125.572 125.572 125.098 0.474 19682 5549 1 11 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.228 0.793 19682 5550 1 11 . 1 1 81 81 LEU C C 81 174.617 174.617 175.189 -0.572 19682 5551 1 11 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.901 -1.467 19682 5552 1 11 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.388 1.472 19682 5553 1 11 . 1 1 81 81 LEU H H 81 6.540 6.540 7.738 -1.198 19682 5554 1 11 . 1 1 82 82 CYS N N 82 125.868 125.868 121.358 4.510 19682 5555 1 11 . 1 1 82 82 CYS HA H 82 3.529 3.529 4.005 -0.476 19682 5556 1 11 . 1 1 82 82 CYS C C 82 172.652 172.652 174.710 -2.058 19682 5557 1 11 . 1 1 82 82 CYS CA C 82 56.562 56.562 54.932 1.630 19682 5558 1 11 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.807 2.737 19682 5559 1 11 . 1 1 82 82 CYS H H 82 9.086 9.086 7.943 1.143 19682 5560 1 11 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.937 0.131 19682 5561 1 11 . 1 1 83 83 PRO C C 83 178.541 178.541 178.531 0.010 19682 5562 1 11 . 1 1 83 83 PRO CA C 83 65.267 65.267 66.232 -0.965 19682 5563 1 11 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.610 0.599 19682 5564 1 11 . 1 1 84 84 ARG N N 84 117.140 117.140 117.367 -0.227 19682 5565 1 11 . 1 1 84 84 ARG HA H 84 4.197 4.197 3.975 0.222 19682 5566 1 11 . 1 1 84 84 ARG C C 84 177.983 177.983 177.821 0.162 19682 5567 1 11 . 1 1 84 84 ARG CA C 84 58.537 58.537 59.285 -0.748 19682 5568 1 11 . 1 1 84 84 ARG CB C 84 30.815 30.815 30.010 0.805 19682 5569 1 11 . 1 1 84 84 ARG H H 84 8.041 8.041 7.804 0.237 19682 5570 1 11 . 1 1 85 85 CYS N N 85 123.417 123.417 117.145 6.272 19682 5571 1 11 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.196 -0.293 19682 5572 1 11 . 1 1 85 85 CYS C C 85 177.298 177.298 177.369 -0.071 19682 5573 1 11 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.972 2.196 19682 5574 1 11 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.071 3.967 19682 5575 1 11 . 1 1 85 85 CYS H H 85 8.210 8.210 7.582 0.628 19682 5576 1 11 . 1 1 86 86 VAL N N 86 118.037 118.037 119.609 -1.572 19682 5577 1 11 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.708 -0.068 19682 5578 1 11 . 1 1 86 86 VAL C C 86 176.623 176.623 177.179 -0.556 19682 5579 1 11 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.558 -1.050 19682 5580 1 11 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.608 0.194 19682 5581 1 11 . 1 1 86 86 VAL H H 86 7.951 7.951 7.538 0.413 19682 5582 1 11 . 1 1 87 87 VAL N N 87 119.227 119.227 116.082 3.145 19682 5583 1 11 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.833 0.143 19682 5584 1 11 . 1 1 87 87 VAL C C 87 176.774 176.774 176.354 0.420 19682 5585 1 11 . 1 1 87 87 VAL CA C 87 63.182 63.182 64.171 -0.989 19682 5586 1 11 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.800 0.409 19682 5587 1 11 . 1 1 87 87 VAL H H 87 7.255 7.255 7.422 -0.167 19682 5588 1 11 . 1 1 88 88 GLU N N 88 122.469 122.469 119.971 2.498 19682 5589 1 11 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.129 0.070 19682 5590 1 11 . 1 1 88 88 GLU C C 88 176.623 176.623 176.018 0.605 19682 5591 1 11 . 1 1 88 88 GLU CA C 88 56.950 56.950 57.347 -0.397 19682 5592 1 11 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.546 0.544 19682 5593 1 11 . 1 1 88 88 GLU H H 88 7.986 7.986 7.495 0.491 19682 5594 1 11 . 1 1 89 89 GLU N N 89 121.343 121.343 120.058 1.285 19682 5595 1 11 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.011 0.178 19682 5596 1 11 . 1 1 89 89 GLU C C 89 176.744 176.744 175.358 1.386 19682 5597 1 11 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.774 0.182 19682 5598 1 11 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.657 0.255 19682 5599 1 11 . 1 1 89 89 GLU H H 89 8.168 8.168 8.287 -0.119 19682 5600 1 11 . 1 1 90 90 VAL N N 90 120.127 120.127 120.915 -0.788 19682 5601 1 11 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.291 -0.207 19682 5602 1 11 . 1 1 90 90 VAL C C 90 176.290 176.290 175.316 0.974 19682 5603 1 11 . 1 1 90 90 VAL CA C 90 62.592 62.592 61.788 0.804 19682 5604 1 11 . 1 1 90 90 VAL CB C 90 32.527 32.527 32.940 -0.413 19682 5605 1 11 . 1 1 90 90 VAL H H 90 8.027 8.027 8.236 -0.209 19682 5606 1 11 . 1 1 91 91 SER N N 91 118.678 118.678 124.212 -5.534 19682 5607 1 11 . 1 1 91 91 SER HA H 91 4.439 4.439 4.454 -0.015 19682 5608 1 11 . 1 1 91 91 SER C C 91 173.932 173.932 174.537 -0.605 19682 5609 1 11 . 1 1 91 91 SER CA C 91 58.189 58.189 58.492 -0.303 19682 5610 1 11 . 1 1 91 91 SER CB C 91 63.706 63.706 63.376 0.330 19682 5611 1 11 . 1 1 91 91 SER H H 91 8.222 8.222 8.548 -0.326 19682 5612 1 11 . 1 1 92 92 LYS N N 92 124.547 124.547 127.275 -2.728 19682 5613 1 11 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.401 0.206 19682 5614 1 11 . 1 1 92 92 LYS C C 92 174.395 174.395 174.888 -0.493 19682 5615 1 11 . 1 1 92 92 LYS CA C 92 54.272 54.272 55.102 -0.831 19682 5616 1 11 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.029 0.617 19682 5617 1 11 . 1 1 92 92 LYS H H 92 8.165 8.165 8.362 -0.197 19682 5618 1 11 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.432 -0.013 19682 5619 1 11 . 1 1 93 93 PRO C C 93 176.194 176.194 176.458 -0.264 19682 5620 1 11 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.994 0.424 19682 5621 1 11 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.116 -0.220 19682 5622 1 12 . 1 1 2 2 HIS HA H 2 4.750 4.750 5.042 -0.292 19682 5623 1 12 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.308 0.984 19682 5624 1 12 . 1 1 2 2 HIS CB C 2 30.558 30.558 31.970 -1.412 19682 5625 1 12 . 1 1 2 2 HIS H H 2 8.134 8.134 8.817 -0.683 19682 5626 1 12 . 1 1 3 3 MET N N 3 123.164 123.164 120.816 2.348 19682 5627 1 12 . 1 1 3 3 MET HA H 3 4.494 4.494 4.660 -0.166 19682 5628 1 12 . 1 1 3 3 MET C C 3 176.078 176.078 176.093 -0.015 19682 5629 1 12 . 1 1 3 3 MET CA C 3 55.504 55.504 55.048 0.456 19682 5630 1 12 . 1 1 3 3 MET CB C 3 32.860 32.860 33.301 -0.441 19682 5631 1 12 . 1 1 3 3 MET H H 3 8.419 8.419 8.443 -0.024 19682 5632 1 12 . 1 1 4 4 SER N N 4 117.403 117.403 116.543 0.860 19682 5633 1 12 . 1 1 4 4 SER HA H 4 4.439 4.439 4.711 -0.272 19682 5634 1 12 . 1 1 4 4 SER C C 4 175.011 175.011 175.179 -0.168 19682 5635 1 12 . 1 1 4 4 SER CA C 4 58.516 58.516 58.229 0.287 19682 5636 1 12 . 1 1 4 4 SER CB C 4 63.773 63.773 63.332 0.441 19682 5637 1 12 . 1 1 4 4 SER H H 4 8.416 8.416 8.527 -0.111 19682 5638 1 12 . 1 1 5 5 GLY N N 5 111.174 111.174 114.072 -2.898 19682 5639 1 12 . 1 1 5 5 GLY C C 5 174.567 174.567 174.874 -0.307 19682 5640 1 12 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.606 0.579 19682 5641 1 12 . 1 1 5 5 GLY H H 5 8.475 8.475 8.737 -0.262 19682 5642 1 12 . 1 1 6 6 GLY N N 6 108.594 108.594 110.808 -2.214 19682 5643 1 12 . 1 1 6 6 GLY C C 6 173.781 173.781 173.582 0.199 19682 5644 1 12 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.870 0.113 19682 5645 1 12 . 1 1 6 6 GLY H H 6 8.274 8.274 7.900 0.374 19682 5646 1 12 . 1 1 7 7 SER N N 7 116.558 116.558 117.644 -1.086 19682 5647 1 12 . 1 1 7 7 SER C C 7 172.995 172.995 172.939 0.056 19682 5648 1 12 . 1 1 7 7 SER CA C 7 56.387 56.387 56.039 0.348 19682 5649 1 12 . 1 1 7 7 SER CB C 7 63.508 63.508 65.365 -1.857 19682 5650 1 12 . 1 1 7 7 SER H H 7 8.220 8.220 7.568 0.652 19682 5651 1 12 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.709 -0.255 19682 5652 1 12 . 1 1 8 8 PRO C C 8 176.864 176.864 176.270 0.594 19682 5653 1 12 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.441 0.908 19682 5654 1 12 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.325 -0.315 19682 5655 1 12 . 1 1 9 9 LEU N N 9 121.497 121.497 118.605 2.892 19682 5656 1 12 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.577 -0.273 19682 5657 1 12 . 1 1 9 9 LEU C C 9 177.237 177.237 176.860 0.377 19682 5658 1 12 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.968 0.055 19682 5659 1 12 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.945 0.408 19682 5660 1 12 . 1 1 9 9 LEU H H 9 8.196 8.196 8.088 0.108 19682 5661 1 12 . 1 1 10 10 ALA N N 10 124.964 124.964 126.662 -1.698 19682 5662 1 12 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.520 -0.118 19682 5663 1 12 . 1 1 10 10 ALA C C 10 177.812 177.812 177.748 0.064 19682 5664 1 12 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.105 0.303 19682 5665 1 12 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.730 -0.492 19682 5666 1 12 . 1 1 10 10 ALA H H 10 8.242 8.242 8.140 0.102 19682 5667 1 12 . 1 1 11 11 THR N N 11 112.852 112.852 120.193 -7.341 19682 5668 1 12 . 1 1 11 11 THR HA H 11 4.341 4.341 4.419 -0.078 19682 5669 1 12 . 1 1 11 11 THR C C 11 175.181 175.181 174.806 0.375 19682 5670 1 12 . 1 1 11 11 THR CA C 11 61.870 61.870 62.247 -0.377 19682 5671 1 12 . 1 1 11 11 THR CB C 11 69.622 69.622 68.268 1.354 19682 5672 1 12 . 1 1 11 11 THR H H 11 8.081 8.081 8.284 -0.203 19682 5673 1 12 . 1 1 12 12 GLY N N 12 110.929 110.929 111.101 -0.172 19682 5674 1 12 . 1 1 12 12 GLY C C 12 174.395 174.395 174.625 -0.230 19682 5675 1 12 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.676 0.700 19682 5676 1 12 . 1 1 12 12 GLY H H 12 8.408 8.408 8.193 0.215 19682 5677 1 12 . 1 1 13 13 THR N N 13 113.482 113.482 114.474 -0.992 19682 5678 1 12 . 1 1 13 13 THR HA H 13 4.445 4.445 4.175 0.270 19682 5679 1 12 . 1 1 13 13 THR C C 13 174.889 174.889 175.133 -0.244 19682 5680 1 12 . 1 1 13 13 THR CA C 13 61.816 61.816 62.251 -0.435 19682 5681 1 12 . 1 1 13 13 THR CB C 13 69.812 69.812 69.345 0.467 19682 5682 1 12 . 1 1 13 13 THR H H 13 8.130 8.130 8.118 0.012 19682 5683 1 12 . 1 1 14 14 THR N N 14 116.080 116.080 120.262 -4.182 19682 5684 1 12 . 1 1 14 14 THR HA H 14 4.370 4.370 4.222 0.148 19682 5685 1 12 . 1 1 14 14 THR C C 14 174.385 174.385 174.709 -0.324 19682 5686 1 12 . 1 1 14 14 THR CA C 14 61.788 61.788 62.051 -0.263 19682 5687 1 12 . 1 1 14 14 THR CB C 14 69.696 69.696 69.799 -0.103 19682 5688 1 12 . 1 1 14 14 THR H H 14 8.199 8.199 8.338 -0.139 19682 5689 1 12 . 1 1 15 15 ALA N N 15 126.054 126.054 130.341 -4.287 19682 5690 1 12 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.319 -0.018 19682 5691 1 12 . 1 1 15 15 ALA C C 15 177.469 177.469 176.459 1.010 19682 5692 1 12 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.342 0.504 19682 5693 1 12 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.707 0.477 19682 5694 1 12 . 1 1 15 15 ALA H H 15 8.349 8.349 8.438 -0.089 19682 5695 1 12 . 1 1 16 16 ASN N N 16 117.718 117.718 120.827 -3.109 19682 5696 1 12 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.874 -0.130 19682 5697 1 12 . 1 1 16 16 ASN C C 16 175.575 175.575 174.545 1.030 19682 5698 1 12 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.879 0.318 19682 5699 1 12 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.965 -1.232 19682 5700 1 12 . 1 1 16 16 ASN H H 16 8.403 8.403 8.261 0.142 19682 5701 1 12 . 1 1 17 17 THR N N 17 114.153 114.153 113.737 0.416 19682 5702 1 12 . 1 1 17 17 THR HA H 17 4.312 4.312 4.581 -0.269 19682 5703 1 12 . 1 1 17 17 THR C C 17 174.799 174.799 173.058 1.741 19682 5704 1 12 . 1 1 17 17 THR CA C 17 61.973 61.973 61.974 -0.001 19682 5705 1 12 . 1 1 17 17 THR CB C 17 69.624 69.624 69.659 -0.035 19682 5706 1 12 . 1 1 17 17 THR H H 17 8.081 8.081 8.260 -0.179 19682 5707 1 12 . 1 1 18 18 ARG N N 18 122.990 122.990 120.853 2.137 19682 5708 1 12 . 1 1 18 18 ARG HA H 18 4.325 4.325 5.039 -0.714 19682 5709 1 12 . 1 1 18 18 ARG C C 18 176.875 176.875 174.872 2.003 19682 5710 1 12 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.366 1.185 19682 5711 1 12 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.689 -1.102 19682 5712 1 12 . 1 1 18 18 ARG H H 18 8.351 8.351 8.921 -0.570 19682 5713 1 12 . 1 1 19 19 GLY N N 19 109.993 109.993 108.173 1.820 19682 5714 1 12 . 1 1 19 19 GLY C C 19 174.002 174.002 173.014 0.988 19682 5715 1 12 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.344 0.970 19682 5716 1 12 . 1 1 19 19 GLY H H 19 8.394 8.394 8.377 0.017 19682 5717 1 12 . 1 1 20 20 ALA N N 20 123.732 123.732 126.441 -2.709 19682 5718 1 12 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.685 -0.343 19682 5719 1 12 . 1 1 20 20 ALA C C 20 178.034 178.034 177.061 0.973 19682 5720 1 12 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.913 0.737 19682 5721 1 12 . 1 1 20 20 ALA CB C 20 19.221 19.221 21.265 -2.044 19682 5722 1 12 . 1 1 20 20 ALA H H 20 8.185 8.185 8.035 0.150 19682 5723 1 12 . 1 1 21 21 SER N N 21 114.750 114.750 117.228 -2.478 19682 5724 1 12 . 1 1 21 21 SER HA H 21 4.419 4.419 4.576 -0.157 19682 5725 1 12 . 1 1 21 21 SER C C 21 174.627 174.627 173.388 1.239 19682 5726 1 12 . 1 1 21 21 SER CA C 21 58.495 58.495 58.793 -0.298 19682 5727 1 12 . 1 1 21 21 SER CB C 21 63.697 63.697 63.284 0.413 19682 5728 1 12 . 1 1 21 21 SER H H 21 8.319 8.319 8.461 -0.142 19682 5729 1 12 . 1 1 22 22 GLN N N 22 122.092 122.092 122.323 -0.231 19682 5730 1 12 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.504 -0.160 19682 5731 1 12 . 1 1 22 22 GLN C C 22 175.857 175.857 174.262 1.595 19682 5732 1 12 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.604 -0.829 19682 5733 1 12 . 1 1 22 22 GLN CB C 22 29.398 29.398 29.402 -0.004 19682 5734 1 12 . 1 1 22 22 GLN H H 22 8.343 8.343 8.199 0.144 19682 5735 1 12 . 1 1 23 23 LYS N N 23 122.663 122.663 124.097 -1.434 19682 5736 1 12 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.614 -0.317 19682 5737 1 12 . 1 1 23 23 LYS C C 23 176.502 176.502 175.233 1.269 19682 5738 1 12 . 1 1 23 23 LYS CA C 23 56.315 56.315 55.517 0.798 19682 5739 1 12 . 1 1 23 23 LYS CB C 23 33.048 33.048 34.089 -1.041 19682 5740 1 12 . 1 1 23 23 LYS H H 23 8.309 8.309 8.433 -0.124 19682 5741 1 12 . 1 1 24 24 LYS N N 24 123.434 123.434 121.503 1.931 19682 5742 1 12 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.514 -0.188 19682 5743 1 12 . 1 1 24 24 LYS C C 24 177.026 177.026 176.607 0.419 19682 5744 1 12 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.160 0.199 19682 5745 1 12 . 1 1 24 24 LYS CB C 24 32.993 32.993 34.705 -1.712 19682 5746 1 12 . 1 1 24 24 LYS H H 24 8.469 8.469 8.447 0.022 19682 5747 1 12 . 1 1 25 25 GLY N N 25 110.813 110.813 110.821 -0.008 19682 5748 1 12 . 1 1 25 25 GLY C C 25 174.476 174.476 174.609 -0.133 19682 5749 1 12 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.953 0.320 19682 5750 1 12 . 1 1 25 25 GLY H H 25 8.531 8.531 8.567 -0.036 19682 5751 1 12 . 1 1 26 26 GLY N N 26 108.690 108.690 110.178 -1.488 19682 5752 1 12 . 1 1 26 26 GLY C C 26 173.851 173.851 173.478 0.373 19682 5753 1 12 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.787 0.282 19682 5754 1 12 . 1 1 26 26 GLY H H 26 8.279 8.279 8.619 -0.340 19682 5755 1 12 . 1 1 27 27 GLU N N 27 121.707 121.707 119.033 2.674 19682 5756 1 12 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.803 -0.219 19682 5757 1 12 . 1 1 27 27 GLU C C 27 174.204 174.204 173.906 0.298 19682 5758 1 12 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.473 -0.033 19682 5759 1 12 . 1 1 27 27 GLU CB C 27 29.437 29.437 31.742 -2.305 19682 5760 1 12 . 1 1 27 27 GLU H H 27 8.321 8.321 8.592 -0.271 19682 5761 1 12 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.739 -0.345 19682 5762 1 12 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.481 1.330 19682 5763 1 12 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.555 0.603 19682 5764 1 12 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.522 -0.125 19682 5765 1 12 . 1 1 29 29 PRO C C 29 176.462 176.462 176.151 0.311 19682 5766 1 12 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.464 0.380 19682 5767 1 12 . 1 1 29 29 PRO CB C 29 31.961 31.961 31.666 0.295 19682 5768 1 12 . 1 1 30 30 ALA N N 30 123.850 123.850 128.002 -4.152 19682 5769 1 12 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.460 -0.186 19682 5770 1 12 . 1 1 30 30 ALA C C 30 177.368 177.368 176.893 0.475 19682 5771 1 12 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.973 0.284 19682 5772 1 12 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.058 0.179 19682 5773 1 12 . 1 1 30 30 ALA H H 30 8.290 8.290 8.390 -0.100 19682 5774 1 12 . 1 1 31 31 LEU N N 31 121.430 121.430 125.606 -4.176 19682 5775 1 12 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.577 -0.244 19682 5776 1 12 . 1 1 31 31 LEU C C 31 176.804 176.804 176.320 0.484 19682 5777 1 12 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.225 0.790 19682 5778 1 12 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.149 0.295 19682 5779 1 12 . 1 1 31 31 LEU H H 31 8.139 8.139 8.360 -0.221 19682 5780 1 12 . 1 1 32 32 ILE N N 32 123.070 123.070 121.109 1.961 19682 5781 1 12 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.748 0.420 19682 5782 1 12 . 1 1 32 32 ILE C C 32 175.887 175.887 175.412 0.475 19682 5783 1 12 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.411 -0.721 19682 5784 1 12 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.712 1.764 19682 5785 1 12 . 1 1 32 32 ILE H H 32 8.140 8.140 8.603 -0.463 19682 5786 1 12 . 1 1 33 33 VAL N N 33 124.923 124.923 124.752 0.171 19682 5787 1 12 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.106 -0.019 19682 5788 1 12 . 1 1 33 33 VAL C C 33 175.232 175.232 175.770 -0.538 19682 5789 1 12 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.289 -0.438 19682 5790 1 12 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.508 1.412 19682 5791 1 12 . 1 1 33 33 VAL H H 33 8.198 8.198 8.030 0.168 19682 5792 1 12 . 1 1 34 34 ASP N N 34 125.813 125.813 125.138 0.675 19682 5793 1 12 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.423 0.437 19682 5794 1 12 . 1 1 34 34 ASP C C 34 174.919 174.919 174.638 0.281 19682 5795 1 12 . 1 1 34 34 ASP CA C 34 51.926 51.926 54.800 -2.874 19682 5796 1 12 . 1 1 34 34 ASP CB C 34 41.504 41.504 40.954 0.550 19682 5797 1 12 . 1 1 34 34 ASP H H 34 8.336 8.336 8.263 0.073 19682 5798 1 12 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.350 0.014 19682 5799 1 12 . 1 1 35 35 PRO C C 35 177.091 177.091 176.841 0.250 19682 5800 1 12 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.871 -0.357 19682 5801 1 12 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.165 0.008 19682 5802 1 12 . 1 1 36 36 LEU N N 36 119.977 119.977 112.904 7.073 19682 5803 1 12 . 1 1 36 36 LEU HA H 36 4.256 4.256 3.968 0.288 19682 5804 1 12 . 1 1 36 36 LEU C C 36 177.479 177.479 175.339 2.140 19682 5805 1 12 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.939 0.287 19682 5806 1 12 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.481 1.154 19682 5807 1 12 . 1 1 36 36 LEU H H 36 8.316 8.316 7.754 0.562 19682 5808 1 12 . 1 1 37 37 MET N N 37 120.231 120.231 121.372 -1.141 19682 5809 1 12 . 1 1 37 37 MET HA H 37 4.326 4.326 4.558 -0.232 19682 5810 1 12 . 1 1 37 37 MET C C 37 175.171 175.171 175.192 -0.021 19682 5811 1 12 . 1 1 37 37 MET CA C 37 55.160 55.160 55.182 -0.022 19682 5812 1 12 . 1 1 37 37 MET CB C 37 32.514 32.514 31.959 0.555 19682 5813 1 12 . 1 1 37 37 MET H H 37 7.893 7.893 7.740 0.153 19682 5814 1 12 . 1 1 38 38 LYS N N 38 122.361 122.361 124.211 -1.850 19682 5815 1 12 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.425 -0.265 19682 5816 1 12 . 1 1 38 38 LYS C C 38 175.837 175.837 174.436 1.401 19682 5817 1 12 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.668 0.437 19682 5818 1 12 . 1 1 38 38 LYS CB C 38 33.214 33.214 33.817 -0.603 19682 5819 1 12 . 1 1 38 38 LYS H H 38 7.929 7.929 7.945 -0.016 19682 5820 1 12 . 1 1 39 39 TYR N N 39 120.347 120.347 120.636 -0.289 19682 5821 1 12 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.698 -0.128 19682 5822 1 12 . 1 1 39 39 TYR C C 39 174.325 174.325 176.105 -1.780 19682 5823 1 12 . 1 1 39 39 TYR CA C 39 57.424 57.424 57.718 -0.294 19682 5824 1 12 . 1 1 39 39 TYR CB C 39 38.609 38.609 39.934 -1.325 19682 5825 1 12 . 1 1 39 39 TYR H H 39 8.020 8.020 8.394 -0.374 19682 5826 1 12 . 1 1 40 40 ILE N N 40 119.688 119.688 117.397 2.291 19682 5827 1 12 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.855 0.120 19682 5828 1 12 . 1 1 40 40 ILE C C 40 175.181 175.181 174.946 0.235 19682 5829 1 12 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.470 -2.890 19682 5830 1 12 . 1 1 40 40 ILE CB C 40 39.694 39.694 37.902 1.792 19682 5831 1 12 . 1 1 40 40 ILE H H 40 8.000 8.000 7.978 0.022 19682 5832 1 12 . 1 1 41 41 CYS N N 41 129.049 129.049 125.063 3.986 19682 5833 1 12 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.281 -0.309 19682 5834 1 12 . 1 1 41 41 CYS C C 41 177.197 177.197 176.430 0.767 19682 5835 1 12 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.765 0.292 19682 5836 1 12 . 1 1 41 41 CYS CB C 41 31.374 31.374 27.181 4.193 19682 5837 1 12 . 1 1 41 41 CYS H H 41 7.990 7.990 8.357 -0.367 19682 5838 1 12 . 1 1 42 42 HIS N N 42 127.633 127.633 128.819 -1.186 19682 5839 1 12 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.223 -0.091 19682 5840 1 12 . 1 1 42 42 HIS C C 42 174.385 174.385 175.289 -0.904 19682 5841 1 12 . 1 1 42 42 HIS CA C 42 57.991 57.991 59.221 -1.230 19682 5842 1 12 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.875 -1.175 19682 5843 1 12 . 1 1 42 42 HIS H H 42 8.933 8.933 8.526 0.407 19682 5844 1 12 . 1 1 43 43 ILE N N 43 119.482 119.482 118.780 0.702 19682 5845 1 12 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.119 0.046 19682 5846 1 12 . 1 1 43 43 ILE C C 43 176.673 176.673 176.127 0.546 19682 5847 1 12 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.110 0.012 19682 5848 1 12 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.584 -1.250 19682 5849 1 12 . 1 1 43 43 ILE H H 43 8.944 8.944 7.664 1.280 19682 5850 1 12 . 1 1 44 44 CYS N N 44 117.996 117.996 116.095 1.901 19682 5851 1 12 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.977 -0.093 19682 5852 1 12 . 1 1 44 44 CYS C C 44 176.008 176.008 175.537 0.471 19682 5853 1 12 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.019 1.982 19682 5854 1 12 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.136 2.919 19682 5855 1 12 . 1 1 44 44 CYS H H 44 8.221 8.221 8.041 0.180 19682 5856 1 12 . 1 1 45 45 ASN N N 45 117.410 117.410 118.853 -1.443 19682 5857 1 12 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.341 0.046 19682 5858 1 12 . 1 1 45 45 ASN C C 45 173.893 173.893 175.072 -1.179 19682 5859 1 12 . 1 1 45 45 ASN CA C 45 55.014 55.014 56.545 -1.531 19682 5860 1 12 . 1 1 45 45 ASN CB C 45 37.854 37.854 36.873 0.980 19682 5861 1 12 . 1 1 45 45 ASN H H 45 8.040 8.040 8.338 -0.298 19682 5862 1 12 . 1 1 46 46 ARG N N 46 117.127 117.127 123.246 -6.119 19682 5863 1 12 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.250 0.470 19682 5864 1 12 . 1 1 46 46 ARG C C 46 176.865 176.865 176.850 0.015 19682 5865 1 12 . 1 1 46 46 ARG CA C 46 55.427 55.427 57.145 -1.718 19682 5866 1 12 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.424 3.728 19682 5867 1 12 . 1 1 46 46 ARG H H 46 8.201 8.201 8.170 0.031 19682 5868 1 12 . 1 1 47 47 GLY N N 47 109.334 109.334 111.213 -1.879 19682 5869 1 12 . 1 1 47 47 GLY C C 47 173.670 173.670 173.395 0.275 19682 5870 1 12 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.542 0.474 19682 5871 1 12 . 1 1 47 47 GLY H H 47 8.902 8.902 8.499 0.403 19682 5872 1 12 . 1 1 48 48 ASP N N 48 117.908 117.908 119.849 -1.941 19682 5873 1 12 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.629 0.071 19682 5874 1 12 . 1 1 48 48 ASP C C 48 173.871 173.871 177.211 -3.340 19682 5875 1 12 . 1 1 48 48 ASP CA C 48 52.409 52.409 55.011 -2.602 19682 5876 1 12 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.687 -0.828 19682 5877 1 12 . 1 1 48 48 ASP H H 48 8.046 8.046 8.027 0.019 19682 5878 1 12 . 1 1 49 49 VAL N N 49 117.921 117.921 121.393 -3.472 19682 5879 1 12 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.171 -0.468 19682 5880 1 12 . 1 1 49 49 VAL C C 49 177.096 177.096 176.074 1.022 19682 5881 1 12 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.652 -0.161 19682 5882 1 12 . 1 1 49 49 VAL CB C 49 29.423 29.423 29.653 -0.230 19682 5883 1 12 . 1 1 49 49 VAL H H 49 8.772 8.772 8.355 0.417 19682 5884 1 12 . 1 1 50 50 GLU N N 50 120.434 120.434 123.616 -3.182 19682 5885 1 12 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.194 -0.362 19682 5886 1 12 . 1 1 50 50 GLU C C 50 178.779 178.779 177.643 1.136 19682 5887 1 12 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.693 1.227 19682 5888 1 12 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.910 -0.773 19682 5889 1 12 . 1 1 50 50 GLU H H 50 9.047 9.047 7.940 1.107 19682 5890 1 12 . 1 1 51 51 GLU N N 51 119.158 119.158 117.855 1.303 19682 5891 1 12 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.170 0.137 19682 5892 1 12 . 1 1 51 51 GLU C C 51 177.358 177.358 177.293 0.065 19682 5893 1 12 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.368 -0.112 19682 5894 1 12 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.445 -1.220 19682 5895 1 12 . 1 1 51 51 GLU H H 51 9.822 9.822 8.797 1.025 19682 5896 1 12 . 1 1 52 52 SER N N 52 116.430 116.430 114.509 1.921 19682 5897 1 12 . 1 1 52 52 SER HA H 52 4.716 4.716 4.610 0.106 19682 5898 1 12 . 1 1 52 52 SER C C 52 172.309 172.309 173.483 -1.174 19682 5899 1 12 . 1 1 52 52 SER CA C 52 57.745 57.745 58.998 -1.253 19682 5900 1 12 . 1 1 52 52 SER CB C 52 64.494 64.494 64.209 0.285 19682 5901 1 12 . 1 1 52 52 SER H H 52 8.291 8.291 7.990 0.301 19682 5902 1 12 . 1 1 53 53 MET N N 53 121.812 121.812 123.562 -1.750 19682 5903 1 12 . 1 1 53 53 MET HA H 53 4.577 4.577 4.504 0.073 19682 5904 1 12 . 1 1 53 53 MET C C 53 174.385 174.385 174.880 -0.495 19682 5905 1 12 . 1 1 53 53 MET CA C 53 54.784 54.784 55.379 -0.595 19682 5906 1 12 . 1 1 53 53 MET CB C 53 33.410 33.410 32.930 0.480 19682 5907 1 12 . 1 1 53 53 MET H H 53 7.648 7.648 7.062 0.586 19682 5908 1 12 . 1 1 54 54 LEU N N 54 128.167 128.167 128.243 -0.076 19682 5909 1 12 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.428 -0.180 19682 5910 1 12 . 1 1 54 54 LEU C C 54 175.111 175.111 175.487 -0.376 19682 5911 1 12 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.865 -0.242 19682 5912 1 12 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.555 1.204 19682 5913 1 12 . 1 1 54 54 LEU H H 54 9.007 9.007 8.408 0.599 19682 5914 1 12 . 1 1 55 55 LEU N N 55 122.173 122.173 124.355 -2.182 19682 5915 1 12 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.575 0.230 19682 5916 1 12 . 1 1 55 55 LEU C C 55 176.260 176.260 175.671 0.589 19682 5917 1 12 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.490 -0.243 19682 5918 1 12 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.322 -0.049 19682 5919 1 12 . 1 1 55 55 LEU H H 55 8.139 8.139 8.257 -0.118 19682 5920 1 12 . 1 1 56 56 CYS N N 56 126.541 126.541 127.617 -1.076 19682 5921 1 12 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.801 -0.075 19682 5922 1 12 . 1 1 56 56 CYS C C 56 177.671 177.671 176.041 1.630 19682 5923 1 12 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.603 1.617 19682 5924 1 12 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.261 3.822 19682 5925 1 12 . 1 1 56 56 CYS H H 56 8.996 8.996 8.468 0.528 19682 5926 1 12 . 1 1 57 57 ASP N N 57 130.338 130.338 128.712 1.626 19682 5927 1 12 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.556 0.111 19682 5928 1 12 . 1 1 57 57 ASP C C 57 176.159 176.159 177.195 -1.036 19682 5929 1 12 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.182 1.275 19682 5930 1 12 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.108 1.093 19682 5931 1 12 . 1 1 57 57 ASP H H 57 9.373 9.373 8.941 0.432 19682 5932 1 12 . 1 1 58 58 GLY N N 58 114.137 114.137 106.259 7.878 19682 5933 1 12 . 1 1 58 58 GLY C C 58 174.801 174.801 173.292 1.509 19682 5934 1 12 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.859 1.123 19682 5935 1 12 . 1 1 58 58 GLY H H 58 10.023 10.023 8.810 1.213 19682 5936 1 12 . 1 1 59 59 CYS N N 59 120.775 120.775 116.147 4.628 19682 5937 1 12 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.697 0.194 19682 5938 1 12 . 1 1 59 59 CYS C C 59 175.564 175.564 172.517 3.047 19682 5939 1 12 . 1 1 59 59 CYS CA C 59 58.741 58.741 58.029 0.712 19682 5940 1 12 . 1 1 59 59 CYS CB C 59 33.079 33.079 28.460 4.619 19682 5941 1 12 . 1 1 59 59 CYS H H 59 8.132 8.132 7.294 0.838 19682 5942 1 12 . 1 1 60 60 ASP N N 60 119.232 119.232 120.975 -1.743 19682 5943 1 12 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.632 0.057 19682 5944 1 12 . 1 1 60 60 ASP C C 60 174.738 174.738 176.375 -1.637 19682 5945 1 12 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.473 1.992 19682 5946 1 12 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.537 -0.496 19682 5947 1 12 . 1 1 60 60 ASP H H 60 8.085 8.085 8.534 -0.449 19682 5948 1 12 . 1 1 61 61 ASP N N 61 121.704 121.704 119.322 2.382 19682 5949 1 12 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.591 0.258 19682 5950 1 12 . 1 1 61 61 ASP C C 61 175.454 175.454 174.659 0.795 19682 5951 1 12 . 1 1 61 61 ASP CA C 61 55.493 55.493 55.798 -0.305 19682 5952 1 12 . 1 1 61 61 ASP CB C 61 42.194 42.194 42.270 -0.076 19682 5953 1 12 . 1 1 61 61 ASP H H 61 8.703 8.703 7.808 0.895 19682 5954 1 12 . 1 1 62 62 SER N N 62 113.381 113.381 116.263 -2.882 19682 5955 1 12 . 1 1 62 62 SER HA H 62 5.703 5.703 5.146 0.557 19682 5956 1 12 . 1 1 62 62 SER C C 62 173.821 173.821 172.636 1.185 19682 5957 1 12 . 1 1 62 62 SER CA C 62 56.165 56.165 57.544 -1.379 19682 5958 1 12 . 1 1 62 62 SER CB C 62 65.275 65.275 64.654 0.621 19682 5959 1 12 . 1 1 62 62 SER H H 62 8.313 8.313 8.485 -0.172 19682 5960 1 12 . 1 1 63 63 TYR N N 63 120.467 120.467 124.758 -4.291 19682 5961 1 12 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.770 0.581 19682 5962 1 12 . 1 1 63 63 TYR C C 63 175.393 175.393 174.898 0.495 19682 5963 1 12 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.939 -0.252 19682 5964 1 12 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.406 1.920 19682 5965 1 12 . 1 1 63 63 TYR H H 63 8.815 8.815 8.760 0.055 19682 5966 1 12 . 1 1 64 64 HIS N N 64 121.957 121.957 118.116 3.841 19682 5967 1 12 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.962 -0.112 19682 5968 1 12 . 1 1 64 64 HIS C C 64 178.559 178.559 176.482 2.077 19682 5969 1 12 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.186 2.304 19682 5970 1 12 . 1 1 64 64 HIS CB C 64 31.036 31.036 31.826 -0.790 19682 5971 1 12 . 1 1 64 64 HIS H H 64 9.276 9.276 8.694 0.582 19682 5972 1 12 . 1 1 65 65 THR N N 65 113.100 113.100 114.487 -1.387 19682 5973 1 12 . 1 1 65 65 THR HA H 65 3.603 3.603 3.919 -0.316 19682 5974 1 12 . 1 1 65 65 THR C C 65 176.824 176.824 174.819 2.005 19682 5975 1 12 . 1 1 65 65 THR CA C 65 64.805 64.805 65.377 -0.572 19682 5976 1 12 . 1 1 65 65 THR CB C 65 66.441 66.441 69.296 -2.855 19682 5977 1 12 . 1 1 65 65 THR H H 65 8.832 8.832 8.225 0.607 19682 5978 1 12 . 1 1 66 66 PHE N N 66 111.288 111.288 115.150 -3.862 19682 5979 1 12 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.896 -0.171 19682 5980 1 12 . 1 1 66 66 PHE C C 66 176.846 176.846 174.330 2.516 19682 5981 1 12 . 1 1 66 66 PHE CA C 66 56.215 56.215 55.483 0.732 19682 5982 1 12 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.036 0.394 19682 5983 1 12 . 1 1 66 66 PHE H H 66 6.541 6.541 7.633 -1.092 19682 5984 1 12 . 1 1 67 67 CYS N N 67 123.228 123.228 118.693 4.535 19682 5985 1 12 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.776 -0.283 19682 5986 1 12 . 1 1 67 67 CYS C C 67 174.627 174.627 174.104 0.523 19682 5987 1 12 . 1 1 67 67 CYS CA C 67 62.136 62.136 58.896 3.240 19682 5988 1 12 . 1 1 67 67 CYS CB C 67 30.603 30.603 29.691 0.912 19682 5989 1 12 . 1 1 67 67 CYS H H 67 7.384 7.384 8.059 -0.675 19682 5990 1 12 . 1 1 68 68 LEU N N 68 119.645 119.645 120.164 -0.519 19682 5991 1 12 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.807 -0.680 19682 5992 1 12 . 1 1 68 68 LEU C C 68 174.738 174.738 175.345 -0.607 19682 5993 1 12 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.696 1.315 19682 5994 1 12 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.541 -0.418 19682 5995 1 12 . 1 1 68 68 LEU H H 68 6.514 6.514 7.776 -1.262 19682 5996 1 12 . 1 1 69 69 LEU N N 69 119.803 119.803 118.162 1.641 19682 5997 1 12 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.967 -0.284 19682 5998 1 12 . 1 1 69 69 LEU C C 69 174.879 174.879 175.077 -0.198 19682 5999 1 12 . 1 1 69 69 LEU CA C 69 51.217 51.217 53.158 -1.941 19682 6000 1 12 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.571 1.764 19682 6001 1 12 . 1 1 69 69 LEU H H 69 8.050 8.050 8.129 -0.079 19682 6002 1 12 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.810 0.224 19682 6003 1 12 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.306 0.739 19682 6004 1 12 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.494 1.539 19682 6005 1 12 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.424 0.024 19682 6006 1 12 . 1 1 71 71 PRO C C 71 177.632 177.632 176.769 0.863 19682 6007 1 12 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.767 0.222 19682 6008 1 12 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.509 -0.380 19682 6009 1 12 . 1 1 72 72 LEU N N 72 121.033 121.033 125.440 -4.407 19682 6010 1 12 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.245 0.401 19682 6011 1 12 . 1 1 72 72 LEU C C 72 177.983 177.983 177.828 0.155 19682 6012 1 12 . 1 1 72 72 LEU CA C 72 54.037 54.037 55.369 -1.332 19682 6013 1 12 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.786 2.598 19682 6014 1 12 . 1 1 72 72 LEU H H 72 7.660 7.660 8.306 -0.646 19682 6015 1 12 . 1 1 73 73 THR N N 73 112.645 112.645 118.209 -5.564 19682 6016 1 12 . 1 1 73 73 THR HA H 73 4.289 4.289 4.232 0.057 19682 6017 1 12 . 1 1 73 73 THR C C 73 174.305 174.305 174.935 -0.630 19682 6018 1 12 . 1 1 73 73 THR CA C 73 62.324 62.324 63.122 -0.798 19682 6019 1 12 . 1 1 73 73 THR CB C 73 69.019 69.019 69.096 -0.077 19682 6020 1 12 . 1 1 73 73 THR H H 73 8.694 8.694 8.724 -0.030 19682 6021 1 12 . 1 1 74 74 SER N N 74 114.234 114.234 116.673 -2.439 19682 6022 1 12 . 1 1 74 74 SER HA H 74 4.584 4.584 4.616 -0.032 19682 6023 1 12 . 1 1 74 74 SER C C 74 172.833 172.833 173.415 -0.582 19682 6024 1 12 . 1 1 74 74 SER CA C 74 56.827 56.827 57.476 -0.649 19682 6025 1 12 . 1 1 74 74 SER CB C 74 64.678 64.678 65.356 -0.678 19682 6026 1 12 . 1 1 74 74 SER H H 74 7.503 7.503 7.599 -0.096 19682 6027 1 12 . 1 1 75 75 ILE N N 75 123.720 123.720 123.866 -0.146 19682 6028 1 12 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.226 -0.147 19682 6029 1 12 . 1 1 75 75 ILE C C 75 174.819 174.819 175.278 -0.459 19682 6030 1 12 . 1 1 75 75 ILE CA C 75 58.608 58.608 57.473 1.135 19682 6031 1 12 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.257 0.531 19682 6032 1 12 . 1 1 75 75 ILE H H 75 8.498 8.498 8.430 0.069 19682 6033 1 12 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.602 -0.194 19682 6034 1 12 . 1 1 76 76 PRO C C 76 176.339 176.339 176.595 -0.256 19682 6035 1 12 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.513 0.492 19682 6036 1 12 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.006 1.130 19682 6037 1 12 . 1 1 77 77 LYS N N 77 121.662 121.662 121.084 0.578 19682 6038 1 12 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.826 0.509 19682 6039 1 12 . 1 1 77 77 LYS C C 77 177.278 177.278 176.429 0.849 19682 6040 1 12 . 1 1 77 77 LYS CA C 77 56.298 56.298 58.461 -2.163 19682 6041 1 12 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.220 1.557 19682 6042 1 12 . 1 1 77 77 LYS H H 77 8.516 8.516 8.609 -0.093 19682 6043 1 12 . 1 1 78 78 GLY N N 78 110.250 110.250 107.106 3.144 19682 6044 1 12 . 1 1 78 78 GLY C C 78 172.995 172.995 172.825 0.170 19682 6045 1 12 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.825 -0.279 19682 6046 1 12 . 1 1 78 78 GLY H H 78 8.150 8.150 8.009 0.141 19682 6047 1 12 . 1 1 79 79 GLU N N 79 121.820 121.820 122.196 -0.376 19682 6048 1 12 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.263 0.106 19682 6049 1 12 . 1 1 79 79 GLU C C 79 175.847 175.847 175.039 0.808 19682 6050 1 12 . 1 1 79 79 GLU CA C 79 56.977 56.977 55.416 1.560 19682 6051 1 12 . 1 1 79 79 GLU CB C 79 30.638 30.638 28.235 2.402 19682 6052 1 12 . 1 1 79 79 GLU H H 79 8.342 8.342 8.576 -0.234 19682 6053 1 12 . 1 1 80 80 TRP N N 80 126.690 126.690 126.656 0.034 19682 6054 1 12 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.875 -0.361 19682 6055 1 12 . 1 1 80 80 TRP C C 80 172.733 172.733 174.276 -1.543 19682 6056 1 12 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.754 2.814 19682 6057 1 12 . 1 1 80 80 TRP CB C 80 30.409 30.409 30.624 -0.215 19682 6058 1 12 . 1 1 80 80 TRP H H 80 9.370 9.370 7.960 1.410 19682 6059 1 12 . 1 1 81 81 LEU N N 81 125.572 125.572 129.634 -4.062 19682 6060 1 12 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.273 0.748 19682 6061 1 12 . 1 1 81 81 LEU C C 81 174.617 174.617 176.238 -1.621 19682 6062 1 12 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.993 -1.559 19682 6063 1 12 . 1 1 81 81 LEU CB C 81 44.860 44.860 41.586 3.274 19682 6064 1 12 . 1 1 81 81 LEU H H 81 6.540 6.540 7.938 -1.398 19682 6065 1 12 . 1 1 82 82 CYS N N 82 125.868 125.868 122.422 3.446 19682 6066 1 12 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.673 -0.144 19682 6067 1 12 . 1 1 82 82 CYS C C 82 172.652 172.652 175.685 -3.033 19682 6068 1 12 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.170 1.392 19682 6069 1 12 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.302 3.241 19682 6070 1 12 . 1 1 82 82 CYS H H 82 9.086 9.086 7.899 1.187 19682 6071 1 12 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.029 0.039 19682 6072 1 12 . 1 1 83 83 PRO C C 83 178.541 178.541 178.494 0.047 19682 6073 1 12 . 1 1 83 83 PRO CA C 83 65.267 65.267 64.909 0.358 19682 6074 1 12 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.546 0.663 19682 6075 1 12 . 1 1 84 84 ARG N N 84 117.140 117.140 118.362 -1.222 19682 6076 1 12 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.107 0.090 19682 6077 1 12 . 1 1 84 84 ARG C C 84 177.983 177.983 177.000 0.983 19682 6078 1 12 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.733 -0.196 19682 6079 1 12 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.770 1.045 19682 6080 1 12 . 1 1 84 84 ARG H H 84 8.041 8.041 8.293 -0.252 19682 6081 1 12 . 1 1 85 85 CYS N N 85 123.417 123.417 114.151 9.266 19682 6082 1 12 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.329 -0.426 19682 6083 1 12 . 1 1 85 85 CYS C C 85 177.298 177.298 175.818 1.480 19682 6084 1 12 . 1 1 85 85 CYS CA C 85 64.168 64.168 60.604 3.564 19682 6085 1 12 . 1 1 85 85 CYS CB C 85 30.038 30.038 27.768 2.270 19682 6086 1 12 . 1 1 85 85 CYS H H 85 8.210 8.210 7.540 0.670 19682 6087 1 12 . 1 1 86 86 VAL N N 86 118.037 118.037 118.111 -0.074 19682 6088 1 12 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.869 -0.229 19682 6089 1 12 . 1 1 86 86 VAL C C 86 176.623 176.623 177.141 -0.518 19682 6090 1 12 . 1 1 86 86 VAL CA C 86 64.508 64.508 64.100 0.408 19682 6091 1 12 . 1 1 86 86 VAL CB C 86 31.802 31.802 32.239 -0.437 19682 6092 1 12 . 1 1 86 86 VAL H H 86 7.951 7.951 7.245 0.706 19682 6093 1 12 . 1 1 87 87 VAL N N 87 119.227 119.227 116.726 2.501 19682 6094 1 12 . 1 1 87 87 VAL HA H 87 3.976 3.976 4.122 -0.146 19682 6095 1 12 . 1 1 87 87 VAL C C 87 176.774 176.774 175.314 1.460 19682 6096 1 12 . 1 1 87 87 VAL CA C 87 63.182 63.182 61.534 1.648 19682 6097 1 12 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.309 0.901 19682 6098 1 12 . 1 1 87 87 VAL H H 87 7.255 7.255 7.593 -0.338 19682 6099 1 12 . 1 1 88 88 GLU N N 88 122.469 122.469 120.447 2.022 19682 6100 1 12 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.295 -0.096 19682 6101 1 12 . 1 1 88 88 GLU C C 88 176.623 176.623 176.626 -0.003 19682 6102 1 12 . 1 1 88 88 GLU CA C 88 56.950 56.950 55.686 1.264 19682 6103 1 12 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.146 -0.056 19682 6104 1 12 . 1 1 88 88 GLU H H 88 7.986 7.986 7.574 0.412 19682 6105 1 12 . 1 1 89 89 GLU N N 89 121.343 121.343 123.333 -1.990 19682 6106 1 12 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.272 -0.083 19682 6107 1 12 . 1 1 89 89 GLU C C 89 176.744 176.744 175.819 0.925 19682 6108 1 12 . 1 1 89 89 GLU CA C 89 56.956 56.956 55.734 1.222 19682 6109 1 12 . 1 1 89 89 GLU CB C 89 29.912 29.912 27.779 2.133 19682 6110 1 12 . 1 1 89 89 GLU H H 89 8.168 8.168 8.910 -0.742 19682 6111 1 12 . 1 1 90 90 VAL N N 90 120.127 120.127 120.666 -0.539 19682 6112 1 12 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.846 0.238 19682 6113 1 12 . 1 1 90 90 VAL C C 90 176.290 176.290 176.338 -0.048 19682 6114 1 12 . 1 1 90 90 VAL CA C 90 62.592 62.592 63.131 -0.539 19682 6115 1 12 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.594 0.933 19682 6116 1 12 . 1 1 90 90 VAL H H 90 8.027 8.027 8.088 -0.061 19682 6117 1 12 . 1 1 91 91 SER N N 91 118.678 118.678 118.637 0.041 19682 6118 1 12 . 1 1 91 91 SER HA H 91 4.439 4.439 4.219 0.220 19682 6119 1 12 . 1 1 91 91 SER C C 91 173.932 173.932 174.722 -0.790 19682 6120 1 12 . 1 1 91 91 SER CA C 91 58.189 58.189 60.024 -1.835 19682 6121 1 12 . 1 1 91 91 SER CB C 91 63.706 63.706 63.732 -0.026 19682 6122 1 12 . 1 1 91 91 SER H H 91 8.222 8.222 8.392 -0.170 19682 6123 1 12 . 1 1 92 92 LYS N N 92 124.547 124.547 122.035 2.512 19682 6124 1 12 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.765 -0.158 19682 6125 1 12 . 1 1 92 92 LYS C C 92 174.395 174.395 173.782 0.613 19682 6126 1 12 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.859 0.413 19682 6127 1 12 . 1 1 92 92 LYS CB C 92 32.646 32.646 33.793 -1.147 19682 6128 1 12 . 1 1 92 92 LYS H H 92 8.165 8.165 7.654 0.511 19682 6129 1 12 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.547 -0.128 19682 6130 1 12 . 1 1 93 93 PRO C C 93 176.194 176.194 176.056 0.138 19682 6131 1 12 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.097 0.321 19682 6132 1 12 . 1 1 93 93 PRO CB C 93 31.896 31.896 30.869 1.028 19682 6133 1 13 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.874 -0.124 19682 6134 1 13 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.455 -0.163 19682 6135 1 13 . 1 1 2 2 HIS CB C 2 30.558 30.558 31.285 -0.727 19682 6136 1 13 . 1 1 2 2 HIS H H 2 8.134 8.134 8.190 -0.056 19682 6137 1 13 . 1 1 3 3 MET N N 3 123.164 123.164 124.753 -1.589 19682 6138 1 13 . 1 1 3 3 MET HA H 3 4.494 4.494 4.410 0.084 19682 6139 1 13 . 1 1 3 3 MET C C 3 176.078 176.078 175.488 0.590 19682 6140 1 13 . 1 1 3 3 MET CA C 3 55.504 55.504 54.751 0.754 19682 6141 1 13 . 1 1 3 3 MET CB C 3 32.860 32.860 31.252 1.608 19682 6142 1 13 . 1 1 3 3 MET H H 3 8.419 8.419 7.998 0.421 19682 6143 1 13 . 1 1 4 4 SER N N 4 117.403 117.403 117.749 -0.346 19682 6144 1 13 . 1 1 4 4 SER HA H 4 4.439 4.439 4.772 -0.333 19682 6145 1 13 . 1 1 4 4 SER C C 4 175.011 175.011 175.227 -0.216 19682 6146 1 13 . 1 1 4 4 SER CA C 4 58.516 58.516 57.796 0.720 19682 6147 1 13 . 1 1 4 4 SER CB C 4 63.773 63.773 65.145 -1.372 19682 6148 1 13 . 1 1 4 4 SER H H 4 8.416 8.416 7.986 0.430 19682 6149 1 13 . 1 1 5 5 GLY N N 5 111.174 111.174 112.270 -1.096 19682 6150 1 13 . 1 1 5 5 GLY C C 5 174.567 174.567 175.058 -0.491 19682 6151 1 13 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.086 0.099 19682 6152 1 13 . 1 1 5 5 GLY H H 5 8.475 8.475 8.707 -0.232 19682 6153 1 13 . 1 1 6 6 GLY N N 6 108.594 108.594 109.033 -0.439 19682 6154 1 13 . 1 1 6 6 GLY C C 6 173.781 173.781 174.194 -0.413 19682 6155 1 13 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.056 -0.073 19682 6156 1 13 . 1 1 6 6 GLY H H 6 8.274 8.274 8.278 -0.004 19682 6157 1 13 . 1 1 7 7 SER N N 7 116.558 116.558 114.931 1.627 19682 6158 1 13 . 1 1 7 7 SER C C 7 172.995 172.995 172.321 0.674 19682 6159 1 13 . 1 1 7 7 SER CA C 7 56.387 56.387 55.711 0.676 19682 6160 1 13 . 1 1 7 7 SER CB C 7 63.508 63.508 65.065 -1.557 19682 6161 1 13 . 1 1 7 7 SER H H 7 8.220 8.220 8.063 0.157 19682 6162 1 13 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.502 -0.048 19682 6163 1 13 . 1 1 8 8 PRO C C 8 176.864 176.864 175.873 0.991 19682 6164 1 13 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.816 0.533 19682 6165 1 13 . 1 1 8 8 PRO CB C 8 32.010 32.010 30.685 1.325 19682 6166 1 13 . 1 1 9 9 LEU N N 9 121.497 121.497 125.588 -4.091 19682 6167 1 13 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.444 -0.140 19682 6168 1 13 . 1 1 9 9 LEU C C 9 177.237 177.237 176.593 0.644 19682 6169 1 13 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.748 0.274 19682 6170 1 13 . 1 1 9 9 LEU CB C 9 42.353 42.353 40.752 1.601 19682 6171 1 13 . 1 1 9 9 LEU H H 9 8.196 8.196 8.108 0.088 19682 6172 1 13 . 1 1 10 10 ALA N N 10 124.964 124.964 128.859 -3.895 19682 6173 1 13 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.625 -0.223 19682 6174 1 13 . 1 1 10 10 ALA C C 10 177.812 177.812 176.537 1.275 19682 6175 1 13 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.571 0.837 19682 6176 1 13 . 1 1 10 10 ALA CB C 10 19.238 19.238 20.615 -1.377 19682 6177 1 13 . 1 1 10 10 ALA H H 10 8.242 8.242 8.514 -0.272 19682 6178 1 13 . 1 1 11 11 THR N N 11 112.852 112.852 117.499 -4.647 19682 6179 1 13 . 1 1 11 11 THR HA H 11 4.341 4.341 4.341 0.000 19682 6180 1 13 . 1 1 11 11 THR C C 11 175.181 175.181 175.204 -0.023 19682 6181 1 13 . 1 1 11 11 THR CA C 11 61.870 61.870 62.552 -0.682 19682 6182 1 13 . 1 1 11 11 THR CB C 11 69.622 69.622 68.394 1.228 19682 6183 1 13 . 1 1 11 11 THR H H 11 8.081 8.081 8.317 -0.236 19682 6184 1 13 . 1 1 12 12 GLY N N 12 110.929 110.929 111.422 -0.493 19682 6185 1 13 . 1 1 12 12 GLY C C 12 174.395 174.395 174.776 -0.381 19682 6186 1 13 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.869 0.507 19682 6187 1 13 . 1 1 12 12 GLY H H 12 8.408 8.408 8.287 0.121 19682 6188 1 13 . 1 1 13 13 THR N N 13 113.482 113.482 114.652 -1.170 19682 6189 1 13 . 1 1 13 13 THR HA H 13 4.445 4.445 4.398 0.047 19682 6190 1 13 . 1 1 13 13 THR C C 13 174.889 174.889 174.167 0.722 19682 6191 1 13 . 1 1 13 13 THR CA C 13 61.816 61.816 62.413 -0.597 19682 6192 1 13 . 1 1 13 13 THR CB C 13 69.812 69.812 69.616 0.196 19682 6193 1 13 . 1 1 13 13 THR H H 13 8.130 8.130 7.546 0.584 19682 6194 1 13 . 1 1 14 14 THR N N 14 116.080 116.080 121.628 -5.548 19682 6195 1 13 . 1 1 14 14 THR HA H 14 4.370 4.370 4.428 -0.058 19682 6196 1 13 . 1 1 14 14 THR C C 14 174.385 174.385 173.135 1.250 19682 6197 1 13 . 1 1 14 14 THR CA C 14 61.788 61.788 62.124 -0.336 19682 6198 1 13 . 1 1 14 14 THR CB C 14 69.696 69.696 69.957 -0.261 19682 6199 1 13 . 1 1 14 14 THR H H 14 8.199 8.199 8.134 0.065 19682 6200 1 13 . 1 1 15 15 ALA N N 15 126.054 126.054 128.419 -2.365 19682 6201 1 13 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.487 -0.186 19682 6202 1 13 . 1 1 15 15 ALA C C 15 177.469 177.469 177.030 0.439 19682 6203 1 13 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.925 0.921 19682 6204 1 13 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.140 0.044 19682 6205 1 13 . 1 1 15 15 ALA H H 15 8.349 8.349 8.258 0.091 19682 6206 1 13 . 1 1 16 16 ASN N N 16 117.718 117.718 123.685 -5.967 19682 6207 1 13 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.800 -0.056 19682 6208 1 13 . 1 1 16 16 ASN C C 16 175.575 175.575 173.931 1.644 19682 6209 1 13 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.724 -0.527 19682 6210 1 13 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.166 -0.434 19682 6211 1 13 . 1 1 16 16 ASN H H 16 8.403 8.403 8.570 -0.167 19682 6212 1 13 . 1 1 17 17 THR N N 17 114.153 114.153 114.753 -0.600 19682 6213 1 13 . 1 1 17 17 THR HA H 17 4.312 4.312 4.506 -0.194 19682 6214 1 13 . 1 1 17 17 THR C C 17 174.799 174.799 174.169 0.630 19682 6215 1 13 . 1 1 17 17 THR CA C 17 61.973 61.973 62.119 -0.146 19682 6216 1 13 . 1 1 17 17 THR CB C 17 69.624 69.624 69.609 0.015 19682 6217 1 13 . 1 1 17 17 THR H H 17 8.081 8.081 7.984 0.097 19682 6218 1 13 . 1 1 18 18 ARG N N 18 122.990 122.990 124.524 -1.534 19682 6219 1 13 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.618 -0.293 19682 6220 1 13 . 1 1 18 18 ARG C C 18 176.875 176.875 175.244 1.631 19682 6221 1 13 . 1 1 18 18 ARG CA C 18 56.551 56.551 56.820 -0.269 19682 6222 1 13 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.250 -0.663 19682 6223 1 13 . 1 1 18 18 ARG H H 18 8.351 8.351 8.541 -0.190 19682 6224 1 13 . 1 1 19 19 GLY N N 19 109.993 109.993 111.677 -1.684 19682 6225 1 13 . 1 1 19 19 GLY C C 19 174.002 174.002 173.202 0.800 19682 6226 1 13 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.040 0.274 19682 6227 1 13 . 1 1 19 19 GLY H H 19 8.394 8.394 8.706 -0.312 19682 6228 1 13 . 1 1 20 20 ALA N N 20 123.732 123.732 125.864 -2.132 19682 6229 1 13 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.718 -0.376 19682 6230 1 13 . 1 1 20 20 ALA C C 20 178.034 178.034 176.327 1.707 19682 6231 1 13 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.800 -0.150 19682 6232 1 13 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.919 -0.698 19682 6233 1 13 . 1 1 20 20 ALA H H 20 8.185 8.185 8.045 0.140 19682 6234 1 13 . 1 1 21 21 SER N N 21 114.750 114.750 116.932 -2.182 19682 6235 1 13 . 1 1 21 21 SER HA H 21 4.419 4.419 4.677 -0.258 19682 6236 1 13 . 1 1 21 21 SER C C 21 174.627 174.627 173.981 0.646 19682 6237 1 13 . 1 1 21 21 SER CA C 21 58.495 58.495 58.200 0.295 19682 6238 1 13 . 1 1 21 21 SER CB C 21 63.697 63.697 64.058 -0.361 19682 6239 1 13 . 1 1 21 21 SER H H 21 8.319 8.319 8.225 0.094 19682 6240 1 13 . 1 1 22 22 GLN N N 22 122.092 122.092 122.689 -0.597 19682 6241 1 13 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.945 -0.601 19682 6242 1 13 . 1 1 22 22 GLN C C 22 175.857 175.857 175.678 0.179 19682 6243 1 13 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.599 0.176 19682 6244 1 13 . 1 1 22 22 GLN CB C 22 29.398 29.398 30.495 -1.097 19682 6245 1 13 . 1 1 22 22 GLN H H 22 8.343 8.343 8.641 -0.298 19682 6246 1 13 . 1 1 23 23 LYS N N 23 122.663 122.663 118.630 4.033 19682 6247 1 13 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.702 -0.405 19682 6248 1 13 . 1 1 23 23 LYS C C 23 176.502 176.502 175.002 1.500 19682 6249 1 13 . 1 1 23 23 LYS CA C 23 56.315 56.315 55.325 0.990 19682 6250 1 13 . 1 1 23 23 LYS CB C 23 33.048 33.048 33.323 -0.275 19682 6251 1 13 . 1 1 23 23 LYS H H 23 8.309 8.309 8.394 -0.085 19682 6252 1 13 . 1 1 24 24 LYS N N 24 123.434 123.434 120.147 3.287 19682 6253 1 13 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.209 0.117 19682 6254 1 13 . 1 1 24 24 LYS C C 24 177.026 177.026 175.071 1.955 19682 6255 1 13 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.739 -0.380 19682 6256 1 13 . 1 1 24 24 LYS CB C 24 32.993 32.993 31.695 1.298 19682 6257 1 13 . 1 1 24 24 LYS H H 24 8.469 8.469 8.709 -0.240 19682 6258 1 13 . 1 1 25 25 GLY N N 25 110.813 110.813 110.132 0.681 19682 6259 1 13 . 1 1 25 25 GLY C C 25 174.476 174.476 174.633 -0.157 19682 6260 1 13 . 1 1 25 25 GLY CA C 25 45.274 45.274 45.333 -0.059 19682 6261 1 13 . 1 1 25 25 GLY H H 25 8.531 8.531 8.279 0.252 19682 6262 1 13 . 1 1 26 26 GLY N N 26 108.690 108.690 108.917 -0.227 19682 6263 1 13 . 1 1 26 26 GLY C C 26 173.851 173.851 174.610 -0.759 19682 6264 1 13 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.816 0.253 19682 6265 1 13 . 1 1 26 26 GLY H H 26 8.279 8.279 8.260 0.019 19682 6266 1 13 . 1 1 27 27 GLU N N 27 121.707 121.707 120.796 0.911 19682 6267 1 13 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.406 0.178 19682 6268 1 13 . 1 1 27 27 GLU C C 27 174.204 174.204 174.662 -0.458 19682 6269 1 13 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.158 0.282 19682 6270 1 13 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.563 -0.126 19682 6271 1 13 . 1 1 27 27 GLU H H 27 8.321 8.321 7.933 0.388 19682 6272 1 13 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.825 -0.431 19682 6273 1 13 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.098 1.713 19682 6274 1 13 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.447 0.711 19682 6275 1 13 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.536 -0.139 19682 6276 1 13 . 1 1 29 29 PRO C C 29 176.462 176.462 177.505 -1.043 19682 6277 1 13 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.269 0.575 19682 6278 1 13 . 1 1 29 29 PRO CB C 29 31.961 31.961 32.567 -0.606 19682 6279 1 13 . 1 1 30 30 ALA N N 30 123.850 123.850 125.898 -2.048 19682 6280 1 13 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.195 0.079 19682 6281 1 13 . 1 1 30 30 ALA C C 30 177.368 177.368 178.584 -1.216 19682 6282 1 13 . 1 1 30 30 ALA CA C 30 52.257 52.257 54.301 -2.044 19682 6283 1 13 . 1 1 30 30 ALA CB C 30 19.237 19.237 18.704 0.533 19682 6284 1 13 . 1 1 30 30 ALA H H 30 8.290 8.290 8.623 -0.333 19682 6285 1 13 . 1 1 31 31 LEU N N 31 121.430 121.430 116.530 4.900 19682 6286 1 13 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.539 -0.206 19682 6287 1 13 . 1 1 31 31 LEU C C 31 176.804 176.804 176.986 -0.182 19682 6288 1 13 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.333 0.682 19682 6289 1 13 . 1 1 31 31 LEU CB C 31 42.444 42.444 39.877 2.567 19682 6290 1 13 . 1 1 31 31 LEU H H 31 8.139 8.139 7.841 0.298 19682 6291 1 13 . 1 1 32 32 ILE N N 32 123.070 123.070 115.816 7.254 19682 6292 1 13 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.997 0.171 19682 6293 1 13 . 1 1 32 32 ILE C C 32 175.887 175.887 176.350 -0.463 19682 6294 1 13 . 1 1 32 32 ILE CA C 32 60.690 60.690 63.394 -2.704 19682 6295 1 13 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.754 0.723 19682 6296 1 13 . 1 1 32 32 ILE H H 32 8.140 8.140 7.291 0.849 19682 6297 1 13 . 1 1 33 33 VAL N N 33 124.923 124.923 122.595 2.328 19682 6298 1 13 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.046 0.041 19682 6299 1 13 . 1 1 33 33 VAL C C 33 175.232 175.232 175.154 0.078 19682 6300 1 13 . 1 1 33 33 VAL CA C 33 61.851 61.851 61.799 0.052 19682 6301 1 13 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.850 1.070 19682 6302 1 13 . 1 1 33 33 VAL H H 33 8.198 8.198 7.539 0.659 19682 6303 1 13 . 1 1 34 34 ASP N N 34 125.813 125.813 127.600 -1.787 19682 6304 1 13 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.455 0.405 19682 6305 1 13 . 1 1 34 34 ASP C C 34 174.919 174.919 174.498 0.421 19682 6306 1 13 . 1 1 34 34 ASP CA C 34 51.926 51.926 53.969 -2.043 19682 6307 1 13 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.516 -0.012 19682 6308 1 13 . 1 1 34 34 ASP H H 34 8.336 8.336 8.815 -0.479 19682 6309 1 13 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.711 -0.347 19682 6310 1 13 . 1 1 35 35 PRO C C 35 177.091 177.091 177.006 0.085 19682 6311 1 13 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.163 0.350 19682 6312 1 13 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.272 -0.099 19682 6313 1 13 . 1 1 36 36 LEU N N 36 119.977 119.977 119.273 0.704 19682 6314 1 13 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.333 -0.077 19682 6315 1 13 . 1 1 36 36 LEU C C 36 177.479 177.479 176.070 1.409 19682 6316 1 13 . 1 1 36 36 LEU CA C 36 55.226 55.226 56.190 -0.964 19682 6317 1 13 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.712 -1.077 19682 6318 1 13 . 1 1 36 36 LEU H H 36 8.316 8.316 7.764 0.552 19682 6319 1 13 . 1 1 37 37 MET N N 37 120.231 120.231 114.753 5.478 19682 6320 1 13 . 1 1 37 37 MET HA H 37 4.326 4.326 4.537 -0.211 19682 6321 1 13 . 1 1 37 37 MET C C 37 175.171 175.171 174.966 0.205 19682 6322 1 13 . 1 1 37 37 MET CA C 37 55.160 55.160 54.737 0.423 19682 6323 1 13 . 1 1 37 37 MET CB C 37 32.514 32.514 34.366 -1.852 19682 6324 1 13 . 1 1 37 37 MET H H 37 7.893 7.893 7.452 0.441 19682 6325 1 13 . 1 1 38 38 LYS N N 38 122.361 122.361 125.701 -3.340 19682 6326 1 13 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.321 -0.161 19682 6327 1 13 . 1 1 38 38 LYS C C 38 175.837 175.837 175.579 0.258 19682 6328 1 13 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.775 0.330 19682 6329 1 13 . 1 1 38 38 LYS CB C 38 33.214 33.214 31.323 1.891 19682 6330 1 13 . 1 1 38 38 LYS H H 38 7.929 7.929 8.731 -0.802 19682 6331 1 13 . 1 1 39 39 TYR N N 39 120.347 120.347 115.155 5.192 19682 6332 1 13 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.146 0.424 19682 6333 1 13 . 1 1 39 39 TYR C C 39 174.325 174.325 174.574 -0.249 19682 6334 1 13 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.900 -1.476 19682 6335 1 13 . 1 1 39 39 TYR CB C 39 38.609 38.609 35.782 2.827 19682 6336 1 13 . 1 1 39 39 TYR H H 39 8.020 8.020 7.226 0.794 19682 6337 1 13 . 1 1 40 40 ILE N N 40 119.688 119.688 117.665 2.023 19682 6338 1 13 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.040 -0.065 19682 6339 1 13 . 1 1 40 40 ILE C C 40 175.181 175.181 176.287 -1.106 19682 6340 1 13 . 1 1 40 40 ILE CA C 40 58.580 58.580 60.452 -1.872 19682 6341 1 13 . 1 1 40 40 ILE CB C 40 39.694 39.694 38.649 1.045 19682 6342 1 13 . 1 1 40 40 ILE H H 40 8.000 8.000 7.374 0.626 19682 6343 1 13 . 1 1 41 41 CYS N N 41 129.049 129.049 128.866 0.183 19682 6344 1 13 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.025 -0.053 19682 6345 1 13 . 1 1 41 41 CYS C C 41 177.197 177.197 176.187 1.010 19682 6346 1 13 . 1 1 41 41 CYS CA C 41 59.057 59.057 59.063 -0.006 19682 6347 1 13 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.447 5.927 19682 6348 1 13 . 1 1 41 41 CYS H H 41 7.990 7.990 8.939 -0.949 19682 6349 1 13 . 1 1 42 42 HIS N N 42 127.633 127.633 128.923 -1.290 19682 6350 1 13 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.210 -0.078 19682 6351 1 13 . 1 1 42 42 HIS C C 42 174.385 174.385 175.019 -0.634 19682 6352 1 13 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.896 0.095 19682 6353 1 13 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.372 -0.672 19682 6354 1 13 . 1 1 42 42 HIS H H 42 8.933 8.933 8.566 0.367 19682 6355 1 13 . 1 1 43 43 ILE N N 43 119.482 119.482 117.649 1.833 19682 6356 1 13 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.036 0.129 19682 6357 1 13 . 1 1 43 43 ILE C C 43 176.673 176.673 176.498 0.175 19682 6358 1 13 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.401 -0.279 19682 6359 1 13 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.634 -1.300 19682 6360 1 13 . 1 1 43 43 ILE H H 43 8.944 8.944 7.530 1.414 19682 6361 1 13 . 1 1 44 44 CYS N N 44 117.996 117.996 118.206 -0.210 19682 6362 1 13 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.546 0.338 19682 6363 1 13 . 1 1 44 44 CYS C C 44 176.008 176.008 175.472 0.536 19682 6364 1 13 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.258 -0.257 19682 6365 1 13 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.847 3.208 19682 6366 1 13 . 1 1 44 44 CYS H H 44 8.221 8.221 7.966 0.255 19682 6367 1 13 . 1 1 45 45 ASN N N 45 117.410 117.410 115.650 1.760 19682 6368 1 13 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.332 0.055 19682 6369 1 13 . 1 1 45 45 ASN C C 45 173.893 173.893 175.964 -2.071 19682 6370 1 13 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.410 -0.397 19682 6371 1 13 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.253 0.601 19682 6372 1 13 . 1 1 45 45 ASN H H 45 8.040 8.040 8.425 -0.385 19682 6373 1 13 . 1 1 46 46 ARG N N 46 117.127 117.127 119.117 -1.990 19682 6374 1 13 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.496 0.224 19682 6375 1 13 . 1 1 46 46 ARG C C 46 176.865 176.865 177.448 -0.583 19682 6376 1 13 . 1 1 46 46 ARG CA C 46 55.427 55.427 55.823 -0.396 19682 6377 1 13 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.498 3.654 19682 6378 1 13 . 1 1 46 46 ARG H H 46 8.201 8.201 8.384 -0.183 19682 6379 1 13 . 1 1 47 47 GLY N N 47 109.334 109.334 106.595 2.739 19682 6380 1 13 . 1 1 47 47 GLY C C 47 173.670 173.670 174.723 -1.053 19682 6381 1 13 . 1 1 47 47 GLY CA C 47 45.017 45.017 45.561 -0.544 19682 6382 1 13 . 1 1 47 47 GLY H H 47 8.902 8.902 8.114 0.788 19682 6383 1 13 . 1 1 48 48 ASP N N 48 117.908 117.908 122.961 -5.053 19682 6384 1 13 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.252 0.448 19682 6385 1 13 . 1 1 48 48 ASP C C 48 173.871 173.871 176.633 -2.762 19682 6386 1 13 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.286 -3.877 19682 6387 1 13 . 1 1 48 48 ASP CB C 48 40.859 40.859 40.319 0.541 19682 6388 1 13 . 1 1 48 48 ASP H H 48 8.046 8.046 8.172 -0.126 19682 6389 1 13 . 1 1 49 49 VAL N N 49 117.921 117.921 124.040 -6.119 19682 6390 1 13 . 1 1 49 49 VAL HA H 49 3.703 3.703 3.896 -0.193 19682 6391 1 13 . 1 1 49 49 VAL C C 49 177.096 177.096 176.634 0.462 19682 6392 1 13 . 1 1 49 49 VAL CA C 49 62.491 62.491 63.949 -1.458 19682 6393 1 13 . 1 1 49 49 VAL CB C 49 29.423 29.423 31.468 -2.045 19682 6394 1 13 . 1 1 49 49 VAL H H 49 8.772 8.772 8.096 0.676 19682 6395 1 13 . 1 1 50 50 GLU N N 50 120.434 120.434 129.194 -8.760 19682 6396 1 13 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.164 -0.332 19682 6397 1 13 . 1 1 50 50 GLU C C 50 178.779 178.779 178.385 0.394 19682 6398 1 13 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.989 0.931 19682 6399 1 13 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.734 -0.597 19682 6400 1 13 . 1 1 50 50 GLU H H 50 9.047 9.047 8.834 0.213 19682 6401 1 13 . 1 1 51 51 GLU N N 51 119.158 119.158 118.618 0.540 19682 6402 1 13 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.185 0.122 19682 6403 1 13 . 1 1 51 51 GLU C C 51 177.358 177.358 177.336 0.022 19682 6404 1 13 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.155 0.101 19682 6405 1 13 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.479 -1.254 19682 6406 1 13 . 1 1 51 51 GLU H H 51 9.822 9.822 8.569 1.253 19682 6407 1 13 . 1 1 52 52 SER N N 52 116.430 116.430 111.750 4.680 19682 6408 1 13 . 1 1 52 52 SER HA H 52 4.716 4.716 4.666 0.050 19682 6409 1 13 . 1 1 52 52 SER C C 52 172.309 172.309 173.495 -1.186 19682 6410 1 13 . 1 1 52 52 SER CA C 52 57.745 57.745 57.388 0.357 19682 6411 1 13 . 1 1 52 52 SER CB C 52 64.494 64.494 63.938 0.556 19682 6412 1 13 . 1 1 52 52 SER H H 52 8.291 8.291 8.329 -0.038 19682 6413 1 13 . 1 1 53 53 MET N N 53 121.812 121.812 124.510 -2.698 19682 6414 1 13 . 1 1 53 53 MET HA H 53 4.577 4.577 4.736 -0.159 19682 6415 1 13 . 1 1 53 53 MET C C 53 174.385 174.385 175.227 -0.842 19682 6416 1 13 . 1 1 53 53 MET CA C 53 54.784 54.784 55.512 -0.728 19682 6417 1 13 . 1 1 53 53 MET CB C 53 33.410 33.410 32.770 0.640 19682 6418 1 13 . 1 1 53 53 MET H H 53 7.648 7.648 7.220 0.428 19682 6419 1 13 . 1 1 54 54 LEU N N 54 128.167 128.167 127.488 0.679 19682 6420 1 13 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.432 -0.184 19682 6421 1 13 . 1 1 54 54 LEU C C 54 175.111 175.111 175.405 -0.294 19682 6422 1 13 . 1 1 54 54 LEU CA C 54 53.623 53.623 54.037 -0.414 19682 6423 1 13 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.668 1.091 19682 6424 1 13 . 1 1 54 54 LEU H H 54 9.007 9.007 8.490 0.517 19682 6425 1 13 . 1 1 55 55 LEU N N 55 122.173 122.173 124.392 -2.219 19682 6426 1 13 . 1 1 55 55 LEU HA H 55 4.805 4.805 5.179 -0.374 19682 6427 1 13 . 1 1 55 55 LEU C C 55 176.260 176.260 175.615 0.645 19682 6428 1 13 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.094 0.153 19682 6429 1 13 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.654 -0.381 19682 6430 1 13 . 1 1 55 55 LEU H H 55 8.139 8.139 8.229 -0.090 19682 6431 1 13 . 1 1 56 56 CYS N N 56 126.541 126.541 129.223 -2.682 19682 6432 1 13 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.638 0.088 19682 6433 1 13 . 1 1 56 56 CYS C C 56 177.671 177.671 175.845 1.826 19682 6434 1 13 . 1 1 56 56 CYS CA C 56 60.220 60.220 59.081 1.139 19682 6435 1 13 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.768 4.314 19682 6436 1 13 . 1 1 56 56 CYS H H 56 8.996 8.996 9.262 -0.266 19682 6437 1 13 . 1 1 57 57 ASP N N 57 130.338 130.338 129.934 0.404 19682 6438 1 13 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.643 0.024 19682 6439 1 13 . 1 1 57 57 ASP C C 57 176.159 176.159 176.670 -0.511 19682 6440 1 13 . 1 1 57 57 ASP CA C 57 57.457 57.457 55.219 2.238 19682 6441 1 13 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.030 1.171 19682 6442 1 13 . 1 1 57 57 ASP H H 57 9.373 9.373 8.679 0.694 19682 6443 1 13 . 1 1 58 58 GLY N N 58 114.137 114.137 105.255 8.882 19682 6444 1 13 . 1 1 58 58 GLY C C 58 174.801 174.801 173.695 1.106 19682 6445 1 13 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.607 1.375 19682 6446 1 13 . 1 1 58 58 GLY H H 58 10.023 10.023 7.664 2.359 19682 6447 1 13 . 1 1 59 59 CYS N N 59 120.775 120.775 115.810 4.965 19682 6448 1 13 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.528 0.363 19682 6449 1 13 . 1 1 59 59 CYS C C 59 175.564 175.564 173.354 2.210 19682 6450 1 13 . 1 1 59 59 CYS CA C 59 58.741 58.741 58.926 -0.185 19682 6451 1 13 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.609 3.470 19682 6452 1 13 . 1 1 59 59 CYS H H 59 8.132 8.132 7.560 0.572 19682 6453 1 13 . 1 1 60 60 ASP N N 60 119.232 119.232 120.919 -1.687 19682 6454 1 13 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.442 0.247 19682 6455 1 13 . 1 1 60 60 ASP C C 60 174.738 174.738 174.269 0.469 19682 6456 1 13 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.564 0.901 19682 6457 1 13 . 1 1 60 60 ASP CB C 60 41.041 41.041 39.356 1.685 19682 6458 1 13 . 1 1 60 60 ASP H H 60 8.085 8.085 8.316 -0.231 19682 6459 1 13 . 1 1 61 61 ASP N N 61 121.704 121.704 119.650 2.054 19682 6460 1 13 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.940 -0.091 19682 6461 1 13 . 1 1 61 61 ASP C C 61 175.454 175.454 174.899 0.555 19682 6462 1 13 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.024 2.469 19682 6463 1 13 . 1 1 61 61 ASP CB C 61 42.194 42.194 45.017 -2.824 19682 6464 1 13 . 1 1 61 61 ASP H H 61 8.703 8.703 7.731 0.972 19682 6465 1 13 . 1 1 62 62 SER N N 62 113.381 113.381 119.213 -5.832 19682 6466 1 13 . 1 1 62 62 SER HA H 62 5.703 5.703 5.730 -0.027 19682 6467 1 13 . 1 1 62 62 SER C C 62 173.821 173.821 173.417 0.404 19682 6468 1 13 . 1 1 62 62 SER CA C 62 56.165 56.165 56.818 -0.653 19682 6469 1 13 . 1 1 62 62 SER CB C 62 65.275 65.275 64.212 1.063 19682 6470 1 13 . 1 1 62 62 SER H H 62 8.313 8.313 8.583 -0.270 19682 6471 1 13 . 1 1 63 63 TYR N N 63 120.467 120.467 122.637 -2.170 19682 6472 1 13 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.651 0.700 19682 6473 1 13 . 1 1 63 63 TYR C C 63 175.393 175.393 175.190 0.203 19682 6474 1 13 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.989 -0.302 19682 6475 1 13 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.799 1.527 19682 6476 1 13 . 1 1 63 63 TYR H H 63 8.815 8.815 8.780 0.035 19682 6477 1 13 . 1 1 64 64 HIS N N 64 121.957 121.957 116.578 5.379 19682 6478 1 13 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.331 -0.481 19682 6479 1 13 . 1 1 64 64 HIS C C 64 178.559 178.559 176.728 1.831 19682 6480 1 13 . 1 1 64 64 HIS CA C 64 57.490 57.490 53.561 3.929 19682 6481 1 13 . 1 1 64 64 HIS CB C 64 31.036 31.036 32.668 -1.632 19682 6482 1 13 . 1 1 64 64 HIS H H 64 9.276 9.276 8.294 0.982 19682 6483 1 13 . 1 1 65 65 THR N N 65 113.100 113.100 116.123 -3.023 19682 6484 1 13 . 1 1 65 65 THR HA H 65 3.603 3.603 3.895 -0.292 19682 6485 1 13 . 1 1 65 65 THR C C 65 176.824 176.824 176.130 0.694 19682 6486 1 13 . 1 1 65 65 THR CA C 65 64.805 64.805 65.799 -0.994 19682 6487 1 13 . 1 1 65 65 THR CB C 65 66.441 66.441 68.903 -2.462 19682 6488 1 13 . 1 1 65 65 THR H H 65 8.832 8.832 8.028 0.804 19682 6489 1 13 . 1 1 66 66 PHE N N 66 111.288 111.288 117.216 -5.928 19682 6490 1 13 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.721 0.004 19682 6491 1 13 . 1 1 66 66 PHE C C 66 176.846 176.846 176.037 0.809 19682 6492 1 13 . 1 1 66 66 PHE CA C 66 56.215 56.215 58.280 -2.065 19682 6493 1 13 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.706 -0.276 19682 6494 1 13 . 1 1 66 66 PHE H H 66 6.541 6.541 7.791 -1.250 19682 6495 1 13 . 1 1 67 67 CYS N N 67 123.228 123.228 117.788 5.440 19682 6496 1 13 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.360 0.133 19682 6497 1 13 . 1 1 67 67 CYS C C 67 174.627 174.627 175.640 -1.013 19682 6498 1 13 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.513 2.623 19682 6499 1 13 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.913 3.690 19682 6500 1 13 . 1 1 67 67 CYS H H 67 7.384 7.384 7.683 -0.299 19682 6501 1 13 . 1 1 68 68 LEU N N 68 119.645 119.645 120.890 -1.245 19682 6502 1 13 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.313 -0.186 19682 6503 1 13 . 1 1 68 68 LEU C C 68 174.738 174.738 175.367 -0.629 19682 6504 1 13 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.287 -0.276 19682 6505 1 13 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.585 1.538 19682 6506 1 13 . 1 1 68 68 LEU H H 68 6.514 6.514 7.407 -0.893 19682 6507 1 13 . 1 1 69 69 LEU N N 69 119.803 119.803 119.168 0.635 19682 6508 1 13 . 1 1 69 69 LEU HA H 69 4.683 4.683 5.018 -0.335 19682 6509 1 13 . 1 1 69 69 LEU C C 69 174.879 174.879 175.572 -0.693 19682 6510 1 13 . 1 1 69 69 LEU CA C 69 51.217 51.217 51.870 -0.653 19682 6511 1 13 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.737 2.598 19682 6512 1 13 . 1 1 69 69 LEU H H 69 8.050 8.050 8.075 -0.025 19682 6513 1 13 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.747 0.287 19682 6514 1 13 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.787 0.258 19682 6515 1 13 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.532 1.501 19682 6516 1 13 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.681 -0.233 19682 6517 1 13 . 1 1 71 71 PRO C C 71 177.632 177.632 176.860 0.772 19682 6518 1 13 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.438 0.550 19682 6519 1 13 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.741 -0.612 19682 6520 1 13 . 1 1 72 72 LEU N N 72 121.033 121.033 124.320 -3.287 19682 6521 1 13 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.445 0.201 19682 6522 1 13 . 1 1 72 72 LEU C C 72 177.983 177.983 177.311 0.672 19682 6523 1 13 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.396 -0.359 19682 6524 1 13 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.964 3.420 19682 6525 1 13 . 1 1 72 72 LEU H H 72 7.660 7.660 7.928 -0.268 19682 6526 1 13 . 1 1 73 73 THR N N 73 112.645 112.645 115.020 -2.375 19682 6527 1 13 . 1 1 73 73 THR HA H 73 4.289 4.289 4.171 0.118 19682 6528 1 13 . 1 1 73 73 THR C C 73 174.305 174.305 175.288 -0.983 19682 6529 1 13 . 1 1 73 73 THR CA C 73 62.324 62.324 63.800 -1.476 19682 6530 1 13 . 1 1 73 73 THR CB C 73 69.019 69.019 69.094 -0.075 19682 6531 1 13 . 1 1 73 73 THR H H 73 8.694 8.694 7.830 0.864 19682 6532 1 13 . 1 1 74 74 SER N N 74 114.234 114.234 117.491 -3.257 19682 6533 1 13 . 1 1 74 74 SER HA H 74 4.584 4.584 4.597 -0.013 19682 6534 1 13 . 1 1 74 74 SER C C 74 172.833 172.833 173.857 -1.024 19682 6535 1 13 . 1 1 74 74 SER CA C 74 56.827 56.827 57.938 -1.111 19682 6536 1 13 . 1 1 74 74 SER CB C 74 64.678 64.678 64.179 0.499 19682 6537 1 13 . 1 1 74 74 SER H H 74 7.503 7.503 7.984 -0.481 19682 6538 1 13 . 1 1 75 75 ILE N N 75 123.720 123.720 128.611 -4.891 19682 6539 1 13 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.228 -0.149 19682 6540 1 13 . 1 1 75 75 ILE C C 75 174.819 174.819 174.475 0.344 19682 6541 1 13 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.257 -0.648 19682 6542 1 13 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.411 0.377 19682 6543 1 13 . 1 1 75 75 ILE H H 75 8.498 8.498 8.304 0.194 19682 6544 1 13 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.488 -0.080 19682 6545 1 13 . 1 1 76 76 PRO C C 76 176.339 176.339 176.424 -0.085 19682 6546 1 13 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.964 0.040 19682 6547 1 13 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.352 -0.216 19682 6548 1 13 . 1 1 77 77 LYS N N 77 121.662 121.662 125.549 -3.887 19682 6549 1 13 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.165 0.170 19682 6550 1 13 . 1 1 77 77 LYS C C 77 177.278 177.278 177.656 -0.378 19682 6551 1 13 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.624 -0.326 19682 6552 1 13 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.762 1.015 19682 6553 1 13 . 1 1 77 77 LYS H H 77 8.516 8.516 8.643 -0.127 19682 6554 1 13 . 1 1 78 78 GLY N N 78 110.250 110.250 115.965 -5.715 19682 6555 1 13 . 1 1 78 78 GLY C C 78 172.995 172.995 174.548 -1.553 19682 6556 1 13 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.895 -1.349 19682 6557 1 13 . 1 1 78 78 GLY H H 78 8.150 8.150 8.555 -0.405 19682 6558 1 13 . 1 1 79 79 GLU N N 79 121.820 121.820 126.412 -4.592 19682 6559 1 13 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.227 0.142 19682 6560 1 13 . 1 1 79 79 GLU C C 79 175.847 175.847 175.847 0.000 19682 6561 1 13 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.276 0.701 19682 6562 1 13 . 1 1 79 79 GLU CB C 79 30.638 30.638 28.282 2.356 19682 6563 1 13 . 1 1 79 79 GLU H H 79 8.342 8.342 8.117 0.225 19682 6564 1 13 . 1 1 80 80 TRP N N 80 126.690 126.690 127.618 -0.928 19682 6565 1 13 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.874 -0.360 19682 6566 1 13 . 1 1 80 80 TRP C C 80 172.733 172.733 173.934 -1.201 19682 6567 1 13 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.110 3.458 19682 6568 1 13 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.599 -1.190 19682 6569 1 13 . 1 1 80 80 TRP H H 80 9.370 9.370 8.201 1.169 19682 6570 1 13 . 1 1 81 81 LEU N N 81 125.572 125.572 126.517 -0.945 19682 6571 1 13 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.194 0.827 19682 6572 1 13 . 1 1 81 81 LEU C C 81 174.617 174.617 175.689 -1.072 19682 6573 1 13 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.601 -1.167 19682 6574 1 13 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.222 1.637 19682 6575 1 13 . 1 1 81 81 LEU H H 81 6.540 6.540 7.849 -1.309 19682 6576 1 13 . 1 1 82 82 CYS N N 82 125.868 125.868 121.289 4.579 19682 6577 1 13 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.582 -0.053 19682 6578 1 13 . 1 1 82 82 CYS C C 82 172.652 172.652 174.969 -2.317 19682 6579 1 13 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.260 1.302 19682 6580 1 13 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.162 3.382 19682 6581 1 13 . 1 1 82 82 CYS H H 82 9.086 9.086 7.790 1.296 19682 6582 1 13 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.036 0.032 19682 6583 1 13 . 1 1 83 83 PRO C C 83 178.541 178.541 178.382 0.159 19682 6584 1 13 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.489 -0.222 19682 6585 1 13 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.633 0.577 19682 6586 1 13 . 1 1 84 84 ARG N N 84 117.140 117.140 115.795 1.345 19682 6587 1 13 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.183 0.014 19682 6588 1 13 . 1 1 84 84 ARG C C 84 177.983 177.983 177.614 0.369 19682 6589 1 13 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.480 0.057 19682 6590 1 13 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.846 0.969 19682 6591 1 13 . 1 1 84 84 ARG H H 84 8.041 8.041 8.457 -0.416 19682 6592 1 13 . 1 1 85 85 CYS N N 85 123.417 123.417 116.980 6.437 19682 6593 1 13 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.259 -0.356 19682 6594 1 13 . 1 1 85 85 CYS C C 85 177.298 177.298 176.725 0.573 19682 6595 1 13 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.659 2.509 19682 6596 1 13 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.547 3.491 19682 6597 1 13 . 1 1 85 85 CYS H H 85 8.210 8.210 7.622 0.588 19682 6598 1 13 . 1 1 86 86 VAL N N 86 118.037 118.037 119.684 -1.647 19682 6599 1 13 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.687 -0.047 19682 6600 1 13 . 1 1 86 86 VAL C C 86 176.623 176.623 177.075 -0.452 19682 6601 1 13 . 1 1 86 86 VAL CA C 86 64.508 64.508 66.044 -1.536 19682 6602 1 13 . 1 1 86 86 VAL CB C 86 31.802 31.802 32.039 -0.237 19682 6603 1 13 . 1 1 86 86 VAL H H 86 7.951 7.951 7.747 0.204 19682 6604 1 13 . 1 1 87 87 VAL N N 87 119.227 119.227 116.576 2.651 19682 6605 1 13 . 1 1 87 87 VAL HA H 87 3.976 3.976 4.016 -0.040 19682 6606 1 13 . 1 1 87 87 VAL C C 87 176.774 176.774 174.946 1.828 19682 6607 1 13 . 1 1 87 87 VAL CA C 87 63.182 63.182 61.713 1.469 19682 6608 1 13 . 1 1 87 87 VAL CB C 87 32.210 32.210 32.304 -0.094 19682 6609 1 13 . 1 1 87 87 VAL H H 87 7.255 7.255 7.717 -0.462 19682 6610 1 13 . 1 1 88 88 GLU N N 88 122.469 122.469 116.907 5.562 19682 6611 1 13 . 1 1 88 88 GLU HA H 88 4.199 4.199 3.991 0.208 19682 6612 1 13 . 1 1 88 88 GLU C C 88 176.623 176.623 176.423 0.200 19682 6613 1 13 . 1 1 88 88 GLU CA C 88 56.950 56.950 57.616 -0.666 19682 6614 1 13 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.252 0.838 19682 6615 1 13 . 1 1 88 88 GLU H H 88 7.986 7.986 7.745 0.241 19682 6616 1 13 . 1 1 89 89 GLU N N 89 121.343 121.343 120.492 0.851 19682 6617 1 13 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.309 -0.120 19682 6618 1 13 . 1 1 89 89 GLU C C 89 176.744 176.744 176.508 0.236 19682 6619 1 13 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.240 0.716 19682 6620 1 13 . 1 1 89 89 GLU CB C 89 29.912 29.912 28.803 1.109 19682 6621 1 13 . 1 1 89 89 GLU H H 89 8.168 8.168 8.464 -0.296 19682 6622 1 13 . 1 1 90 90 VAL N N 90 120.127 120.127 126.849 -6.722 19682 6623 1 13 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.025 0.059 19682 6624 1 13 . 1 1 90 90 VAL C C 90 176.290 176.290 175.520 0.770 19682 6625 1 13 . 1 1 90 90 VAL CA C 90 62.592 62.592 61.996 0.596 19682 6626 1 13 . 1 1 90 90 VAL CB C 90 32.527 32.527 30.229 2.298 19682 6627 1 13 . 1 1 90 90 VAL H H 90 8.027 8.027 8.125 -0.098 19682 6628 1 13 . 1 1 91 91 SER N N 91 118.678 118.678 121.171 -2.493 19682 6629 1 13 . 1 1 91 91 SER HA H 91 4.439 4.439 4.400 0.039 19682 6630 1 13 . 1 1 91 91 SER C C 91 173.932 173.932 174.779 -0.847 19682 6631 1 13 . 1 1 91 91 SER CA C 91 58.189 58.189 58.864 -0.675 19682 6632 1 13 . 1 1 91 91 SER CB C 91 63.706 63.706 63.766 -0.060 19682 6633 1 13 . 1 1 91 91 SER H H 91 8.222 8.222 7.810 0.412 19682 6634 1 13 . 1 1 92 92 LYS N N 92 124.547 124.547 125.933 -1.386 19682 6635 1 13 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.381 0.226 19682 6636 1 13 . 1 1 92 92 LYS C C 92 174.395 174.395 175.373 -0.978 19682 6637 1 13 . 1 1 92 92 LYS CA C 92 54.272 54.272 55.638 -1.365 19682 6638 1 13 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.021 0.625 19682 6639 1 13 . 1 1 92 92 LYS H H 92 8.165 8.165 8.494 -0.329 19682 6640 1 13 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.540 -0.121 19682 6641 1 13 . 1 1 93 93 PRO C C 93 176.194 176.194 175.938 0.256 19682 6642 1 13 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.816 0.602 19682 6643 1 13 . 1 1 93 93 PRO CB C 93 31.896 31.896 30.842 1.054 19682 6644 1 14 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.548 0.202 19682 6645 1 14 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.891 0.401 19682 6646 1 14 . 1 1 2 2 HIS CB C 2 30.558 30.558 28.580 1.978 19682 6647 1 14 . 1 1 2 2 HIS H H 2 8.134 8.134 8.089 0.045 19682 6648 1 14 . 1 1 3 3 MET N N 3 123.164 123.164 124.100 -0.936 19682 6649 1 14 . 1 1 3 3 MET HA H 3 4.494 4.494 4.501 -0.007 19682 6650 1 14 . 1 1 3 3 MET C C 3 176.078 176.078 177.208 -1.130 19682 6651 1 14 . 1 1 3 3 MET CA C 3 55.504 55.504 55.387 0.117 19682 6652 1 14 . 1 1 3 3 MET CB C 3 32.860 32.860 33.350 -0.490 19682 6653 1 14 . 1 1 3 3 MET H H 3 8.419 8.419 8.067 0.352 19682 6654 1 14 . 1 1 4 4 SER N N 4 117.403 117.403 119.090 -1.687 19682 6655 1 14 . 1 1 4 4 SER HA H 4 4.439 4.439 4.403 0.036 19682 6656 1 14 . 1 1 4 4 SER C C 4 175.011 175.011 175.257 -0.246 19682 6657 1 14 . 1 1 4 4 SER CA C 4 58.516 58.516 58.703 -0.187 19682 6658 1 14 . 1 1 4 4 SER CB C 4 63.773 63.773 62.732 1.041 19682 6659 1 14 . 1 1 4 4 SER H H 4 8.416 8.416 8.763 -0.347 19682 6660 1 14 . 1 1 5 5 GLY N N 5 111.174 111.174 111.212 -0.038 19682 6661 1 14 . 1 1 5 5 GLY C C 5 174.567 174.567 174.946 -0.379 19682 6662 1 14 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.856 0.329 19682 6663 1 14 . 1 1 5 5 GLY H H 5 8.475 8.475 8.146 0.329 19682 6664 1 14 . 1 1 6 6 GLY N N 6 108.594 108.594 110.263 -1.669 19682 6665 1 14 . 1 1 6 6 GLY C C 6 173.781 173.781 174.449 -0.668 19682 6666 1 14 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.487 0.496 19682 6667 1 14 . 1 1 6 6 GLY H H 6 8.274 8.274 8.115 0.159 19682 6668 1 14 . 1 1 7 7 SER N N 7 116.558 116.558 119.354 -2.796 19682 6669 1 14 . 1 1 7 7 SER C C 7 172.995 172.995 173.581 -0.586 19682 6670 1 14 . 1 1 7 7 SER CA C 7 56.387 56.387 56.675 -0.288 19682 6671 1 14 . 1 1 7 7 SER CB C 7 63.508 63.508 63.108 0.400 19682 6672 1 14 . 1 1 7 7 SER H H 7 8.220 8.220 7.785 0.435 19682 6673 1 14 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.383 0.071 19682 6674 1 14 . 1 1 8 8 PRO C C 8 176.864 176.864 175.886 0.978 19682 6675 1 14 . 1 1 8 8 PRO CA C 8 63.349 63.349 63.362 -0.013 19682 6676 1 14 . 1 1 8 8 PRO CB C 8 32.010 32.010 30.891 1.119 19682 6677 1 14 . 1 1 9 9 LEU N N 9 121.497 121.497 123.928 -2.431 19682 6678 1 14 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.725 -0.421 19682 6679 1 14 . 1 1 9 9 LEU C C 9 177.237 177.237 176.555 0.682 19682 6680 1 14 . 1 1 9 9 LEU CA C 9 55.023 55.023 53.798 1.224 19682 6681 1 14 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.989 0.364 19682 6682 1 14 . 1 1 9 9 LEU H H 9 8.196 8.196 8.005 0.191 19682 6683 1 14 . 1 1 10 10 ALA N N 10 124.964 124.964 128.104 -3.140 19682 6684 1 14 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.499 -0.097 19682 6685 1 14 . 1 1 10 10 ALA C C 10 177.812 177.812 177.959 -0.147 19682 6686 1 14 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.811 0.597 19682 6687 1 14 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.981 0.257 19682 6688 1 14 . 1 1 10 10 ALA H H 10 8.242 8.242 8.631 -0.389 19682 6689 1 14 . 1 1 11 11 THR N N 11 112.852 112.852 121.374 -8.522 19682 6690 1 14 . 1 1 11 11 THR HA H 11 4.341 4.341 4.254 0.087 19682 6691 1 14 . 1 1 11 11 THR C C 11 175.181 175.181 175.565 -0.384 19682 6692 1 14 . 1 1 11 11 THR CA C 11 61.870 61.870 62.829 -0.959 19682 6693 1 14 . 1 1 11 11 THR CB C 11 69.622 69.622 68.271 1.351 19682 6694 1 14 . 1 1 11 11 THR H H 11 8.081 8.081 8.672 -0.591 19682 6695 1 14 . 1 1 12 12 GLY N N 12 110.929 110.929 113.979 -3.050 19682 6696 1 14 . 1 1 12 12 GLY C C 12 174.395 174.395 173.823 0.572 19682 6697 1 14 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.573 0.803 19682 6698 1 14 . 1 1 12 12 GLY H H 12 8.408 8.408 8.345 0.063 19682 6699 1 14 . 1 1 13 13 THR N N 13 113.482 113.482 117.446 -3.964 19682 6700 1 14 . 1 1 13 13 THR HA H 13 4.445 4.445 4.257 0.188 19682 6701 1 14 . 1 1 13 13 THR C C 13 174.889 174.889 174.226 0.663 19682 6702 1 14 . 1 1 13 13 THR CA C 13 61.816 61.816 63.238 -1.422 19682 6703 1 14 . 1 1 13 13 THR CB C 13 69.812 69.812 68.124 1.688 19682 6704 1 14 . 1 1 13 13 THR H H 13 8.130 8.130 7.531 0.599 19682 6705 1 14 . 1 1 14 14 THR N N 14 116.080 116.080 120.749 -4.669 19682 6706 1 14 . 1 1 14 14 THR HA H 14 4.370 4.370 4.674 -0.304 19682 6707 1 14 . 1 1 14 14 THR C C 14 174.385 174.385 173.706 0.679 19682 6708 1 14 . 1 1 14 14 THR CA C 14 61.788 61.788 60.623 1.165 19682 6709 1 14 . 1 1 14 14 THR CB C 14 69.696 69.696 70.610 -0.914 19682 6710 1 14 . 1 1 14 14 THR H H 14 8.199 8.199 7.893 0.306 19682 6711 1 14 . 1 1 15 15 ALA N N 15 126.054 126.054 126.759 -0.705 19682 6712 1 14 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.581 -0.280 19682 6713 1 14 . 1 1 15 15 ALA C C 15 177.469 177.469 177.450 0.019 19682 6714 1 14 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.171 0.675 19682 6715 1 14 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.489 -0.305 19682 6716 1 14 . 1 1 15 15 ALA H H 15 8.349 8.349 8.257 0.092 19682 6717 1 14 . 1 1 16 16 ASN N N 16 117.718 117.718 116.706 1.012 19682 6718 1 14 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.706 0.038 19682 6719 1 14 . 1 1 16 16 ASN C C 16 175.575 175.575 174.926 0.649 19682 6720 1 14 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.960 0.237 19682 6721 1 14 . 1 1 16 16 ASN CB C 16 38.732 38.732 37.948 0.784 19682 6722 1 14 . 1 1 16 16 ASN H H 16 8.403 8.403 8.113 0.290 19682 6723 1 14 . 1 1 17 17 THR N N 17 114.153 114.153 113.494 0.659 19682 6724 1 14 . 1 1 17 17 THR HA H 17 4.312 4.312 4.202 0.110 19682 6725 1 14 . 1 1 17 17 THR C C 17 174.799 174.799 174.751 0.048 19682 6726 1 14 . 1 1 17 17 THR CA C 17 61.973 61.973 63.063 -1.090 19682 6727 1 14 . 1 1 17 17 THR CB C 17 69.624 69.624 67.661 1.963 19682 6728 1 14 . 1 1 17 17 THR H H 17 8.081 8.081 8.049 0.032 19682 6729 1 14 . 1 1 18 18 ARG N N 18 122.990 122.990 126.780 -3.790 19682 6730 1 14 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.409 -0.084 19682 6731 1 14 . 1 1 18 18 ARG C C 18 176.875 176.875 178.067 -1.192 19682 6732 1 14 . 1 1 18 18 ARG CA C 18 56.551 56.551 57.960 -1.409 19682 6733 1 14 . 1 1 18 18 ARG CB C 18 30.587 30.587 30.602 -0.015 19682 6734 1 14 . 1 1 18 18 ARG H H 18 8.351 8.351 7.947 0.404 19682 6735 1 14 . 1 1 19 19 GLY N N 19 109.993 109.993 107.508 2.485 19682 6736 1 14 . 1 1 19 19 GLY C C 19 174.002 174.002 174.643 -0.641 19682 6737 1 14 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.560 -0.246 19682 6738 1 14 . 1 1 19 19 GLY H H 19 8.394 8.394 8.630 -0.236 19682 6739 1 14 . 1 1 20 20 ALA N N 20 123.732 123.732 121.215 2.517 19682 6740 1 14 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.494 -0.152 19682 6741 1 14 . 1 1 20 20 ALA C C 20 178.034 178.034 177.356 0.678 19682 6742 1 14 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.776 0.874 19682 6743 1 14 . 1 1 20 20 ALA CB C 20 19.221 19.221 18.696 0.525 19682 6744 1 14 . 1 1 20 20 ALA H H 20 8.185 8.185 7.849 0.336 19682 6745 1 14 . 1 1 21 21 SER N N 21 114.750 114.750 116.614 -1.864 19682 6746 1 14 . 1 1 21 21 SER HA H 21 4.419 4.419 4.295 0.124 19682 6747 1 14 . 1 1 21 21 SER C C 21 174.627 174.627 175.132 -0.505 19682 6748 1 14 . 1 1 21 21 SER CA C 21 58.495 58.495 58.433 0.062 19682 6749 1 14 . 1 1 21 21 SER CB C 21 63.697 63.697 62.863 0.834 19682 6750 1 14 . 1 1 21 21 SER H H 21 8.319 8.319 7.598 0.721 19682 6751 1 14 . 1 1 22 22 GLN N N 22 122.092 122.092 126.518 -4.426 19682 6752 1 14 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.108 0.236 19682 6753 1 14 . 1 1 22 22 GLN C C 22 175.857 175.857 176.694 -0.837 19682 6754 1 14 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.919 -1.143 19682 6755 1 14 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.121 1.277 19682 6756 1 14 . 1 1 22 22 GLN H H 22 8.343 8.343 8.818 -0.475 19682 6757 1 14 . 1 1 23 23 LYS N N 23 122.663 122.663 120.600 2.063 19682 6758 1 14 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.183 0.114 19682 6759 1 14 . 1 1 23 23 LYS C C 23 176.502 176.502 177.088 -0.586 19682 6760 1 14 . 1 1 23 23 LYS CA C 23 56.315 56.315 57.855 -1.540 19682 6761 1 14 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.781 0.268 19682 6762 1 14 . 1 1 23 23 LYS H H 23 8.309 8.309 8.211 0.098 19682 6763 1 14 . 1 1 24 24 LYS N N 24 123.434 123.434 118.998 4.436 19682 6764 1 14 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.526 -0.200 19682 6765 1 14 . 1 1 24 24 LYS C C 24 177.026 177.026 175.296 1.730 19682 6766 1 14 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.202 0.157 19682 6767 1 14 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.181 -0.188 19682 6768 1 14 . 1 1 24 24 LYS H H 24 8.469 8.469 7.581 0.888 19682 6769 1 14 . 1 1 25 25 GLY N N 25 110.813 110.813 109.059 1.754 19682 6770 1 14 . 1 1 25 25 GLY C C 25 174.476 174.476 174.762 -0.286 19682 6771 1 14 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.387 0.887 19682 6772 1 14 . 1 1 25 25 GLY H H 25 8.531 8.531 8.197 0.334 19682 6773 1 14 . 1 1 26 26 GLY N N 26 108.690 108.690 108.143 0.547 19682 6774 1 14 . 1 1 26 26 GLY C C 26 173.851 173.851 174.323 -0.472 19682 6775 1 14 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.417 0.652 19682 6776 1 14 . 1 1 26 26 GLY H H 26 8.279 8.279 8.346 -0.067 19682 6777 1 14 . 1 1 27 27 GLU N N 27 121.707 121.707 121.307 0.400 19682 6778 1 14 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.517 0.067 19682 6779 1 14 . 1 1 27 27 GLU C C 27 174.204 174.204 175.122 -0.918 19682 6780 1 14 . 1 1 27 27 GLU CA C 27 54.440 54.440 55.396 -0.956 19682 6781 1 14 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.729 -0.292 19682 6782 1 14 . 1 1 27 27 GLU H H 27 8.321 8.321 8.519 -0.198 19682 6783 1 14 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.770 -0.376 19682 6784 1 14 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.719 1.092 19682 6785 1 14 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.920 0.238 19682 6786 1 14 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.755 -0.358 19682 6787 1 14 . 1 1 29 29 PRO C C 29 176.462 176.462 175.532 0.930 19682 6788 1 14 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.184 0.660 19682 6789 1 14 . 1 1 29 29 PRO CB C 29 31.961 31.961 33.618 -1.657 19682 6790 1 14 . 1 1 30 30 ALA N N 30 123.850 123.850 118.867 4.983 19682 6791 1 14 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.483 -0.209 19682 6792 1 14 . 1 1 30 30 ALA C C 30 177.368 177.368 178.944 -1.576 19682 6793 1 14 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.280 -0.023 19682 6794 1 14 . 1 1 30 30 ALA CB C 30 19.237 19.237 20.657 -1.420 19682 6795 1 14 . 1 1 30 30 ALA H H 30 8.290 8.290 8.431 -0.141 19682 6796 1 14 . 1 1 31 31 LEU N N 31 121.430 121.430 115.351 6.079 19682 6797 1 14 . 1 1 31 31 LEU HA H 31 4.333 4.333 3.866 0.467 19682 6798 1 14 . 1 1 31 31 LEU C C 31 176.804 176.804 175.909 0.895 19682 6799 1 14 . 1 1 31 31 LEU CA C 31 55.015 55.015 56.709 -1.694 19682 6800 1 14 . 1 1 31 31 LEU CB C 31 42.444 42.444 40.840 1.604 19682 6801 1 14 . 1 1 31 31 LEU H H 31 8.139 8.139 8.184 -0.045 19682 6802 1 14 . 1 1 32 32 ILE N N 32 123.070 123.070 123.694 -0.624 19682 6803 1 14 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.963 0.205 19682 6804 1 14 . 1 1 32 32 ILE C C 32 175.887 175.887 176.827 -0.940 19682 6805 1 14 . 1 1 32 32 ILE CA C 32 60.690 60.690 62.950 -2.260 19682 6806 1 14 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.592 0.886 19682 6807 1 14 . 1 1 32 32 ILE H H 32 8.140 8.140 7.633 0.507 19682 6808 1 14 . 1 1 33 33 VAL N N 33 124.923 124.923 124.395 0.528 19682 6809 1 14 . 1 1 33 33 VAL HA H 33 4.087 4.087 3.774 0.313 19682 6810 1 14 . 1 1 33 33 VAL C C 33 175.232 175.232 174.577 0.655 19682 6811 1 14 . 1 1 33 33 VAL CA C 33 61.851 61.851 63.149 -1.298 19682 6812 1 14 . 1 1 33 33 VAL CB C 33 32.920 32.920 29.085 3.835 19682 6813 1 14 . 1 1 33 33 VAL H H 33 8.198 8.198 8.889 -0.691 19682 6814 1 14 . 1 1 34 34 ASP N N 34 125.813 125.813 123.054 2.759 19682 6815 1 14 . 1 1 34 34 ASP HA H 34 4.860 4.860 5.054 -0.194 19682 6816 1 14 . 1 1 34 34 ASP C C 34 174.919 174.919 175.536 -0.617 19682 6817 1 14 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.397 -0.471 19682 6818 1 14 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.150 -0.646 19682 6819 1 14 . 1 1 34 34 ASP H H 34 8.336 8.336 7.666 0.670 19682 6820 1 14 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.454 -0.090 19682 6821 1 14 . 1 1 35 35 PRO C C 35 177.091 177.091 177.526 -0.435 19682 6822 1 14 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.503 0.011 19682 6823 1 14 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.189 -0.016 19682 6824 1 14 . 1 1 36 36 LEU N N 36 119.977 119.977 114.238 5.739 19682 6825 1 14 . 1 1 36 36 LEU HA H 36 4.256 4.256 3.884 0.372 19682 6826 1 14 . 1 1 36 36 LEU C C 36 177.479 177.479 177.526 -0.047 19682 6827 1 14 . 1 1 36 36 LEU CA C 36 55.226 55.226 57.133 -1.907 19682 6828 1 14 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.487 1.148 19682 6829 1 14 . 1 1 36 36 LEU H H 36 8.316 8.316 7.842 0.474 19682 6830 1 14 . 1 1 37 37 MET N N 37 120.231 120.231 120.982 -0.751 19682 6831 1 14 . 1 1 37 37 MET HA H 37 4.326 4.326 4.354 -0.028 19682 6832 1 14 . 1 1 37 37 MET C C 37 175.171 175.171 176.058 -0.887 19682 6833 1 14 . 1 1 37 37 MET CA C 37 55.160 55.160 55.830 -0.670 19682 6834 1 14 . 1 1 37 37 MET CB C 37 32.514 32.514 31.622 0.892 19682 6835 1 14 . 1 1 37 37 MET H H 37 7.893 7.893 8.059 -0.166 19682 6836 1 14 . 1 1 38 38 LYS N N 38 122.361 122.361 124.827 -2.466 19682 6837 1 14 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.087 0.073 19682 6838 1 14 . 1 1 38 38 LYS C C 38 175.837 175.837 176.733 -0.896 19682 6839 1 14 . 1 1 38 38 LYS CA C 38 56.105 56.105 58.593 -2.488 19682 6840 1 14 . 1 1 38 38 LYS CB C 38 33.214 33.214 33.054 0.160 19682 6841 1 14 . 1 1 38 38 LYS H H 38 7.929 7.929 8.355 -0.426 19682 6842 1 14 . 1 1 39 39 TYR N N 39 120.347 120.347 115.074 5.273 19682 6843 1 14 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.587 -0.017 19682 6844 1 14 . 1 1 39 39 TYR C C 39 174.325 174.325 174.497 -0.172 19682 6845 1 14 . 1 1 39 39 TYR CA C 39 57.424 57.424 57.926 -0.502 19682 6846 1 14 . 1 1 39 39 TYR CB C 39 38.609 38.609 41.526 -2.917 19682 6847 1 14 . 1 1 39 39 TYR H H 39 8.020 8.020 7.948 0.072 19682 6848 1 14 . 1 1 40 40 ILE N N 40 119.688 119.688 116.692 2.996 19682 6849 1 14 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.796 0.179 19682 6850 1 14 . 1 1 40 40 ILE C C 40 175.181 175.181 174.686 0.495 19682 6851 1 14 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.519 -2.939 19682 6852 1 14 . 1 1 40 40 ILE CB C 40 39.694 39.694 37.567 2.127 19682 6853 1 14 . 1 1 40 40 ILE H H 40 8.000 8.000 8.090 -0.090 19682 6854 1 14 . 1 1 41 41 CYS N N 41 129.049 129.049 126.833 2.216 19682 6855 1 14 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.688 -0.716 19682 6856 1 14 . 1 1 41 41 CYS C C 41 177.197 177.197 176.546 0.651 19682 6857 1 14 . 1 1 41 41 CYS CA C 41 59.057 59.057 57.507 1.550 19682 6858 1 14 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.636 4.738 19682 6859 1 14 . 1 1 41 41 CYS H H 41 7.990 7.990 8.486 -0.496 19682 6860 1 14 . 1 1 42 42 HIS N N 42 127.633 127.633 127.630 0.003 19682 6861 1 14 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.127 0.005 19682 6862 1 14 . 1 1 42 42 HIS C C 42 174.385 174.385 176.805 -2.420 19682 6863 1 14 . 1 1 42 42 HIS CA C 42 57.991 57.991 59.183 -1.192 19682 6864 1 14 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.856 -1.156 19682 6865 1 14 . 1 1 42 42 HIS H H 42 8.933 8.933 8.231 0.702 19682 6866 1 14 . 1 1 43 43 ILE N N 43 119.482 119.482 117.828 1.654 19682 6867 1 14 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.994 0.171 19682 6868 1 14 . 1 1 43 43 ILE C C 43 176.673 176.673 177.087 -0.414 19682 6869 1 14 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.918 -1.796 19682 6870 1 14 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.598 -0.264 19682 6871 1 14 . 1 1 43 43 ILE H H 43 8.944 8.944 8.495 0.449 19682 6872 1 14 . 1 1 44 44 CYS N N 44 117.996 117.996 114.532 3.464 19682 6873 1 14 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.726 0.158 19682 6874 1 14 . 1 1 44 44 CYS C C 44 176.008 176.008 174.788 1.220 19682 6875 1 14 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.833 1.168 19682 6876 1 14 . 1 1 44 44 CYS CB C 44 31.055 31.055 29.010 2.045 19682 6877 1 14 . 1 1 44 44 CYS H H 44 8.221 8.221 8.099 0.122 19682 6878 1 14 . 1 1 45 45 ASN N N 45 117.410 117.410 116.719 0.691 19682 6879 1 14 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.381 0.006 19682 6880 1 14 . 1 1 45 45 ASN C C 45 173.893 173.893 174.034 -0.141 19682 6881 1 14 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.862 0.152 19682 6882 1 14 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.691 0.163 19682 6883 1 14 . 1 1 45 45 ASN H H 45 8.040 8.040 8.611 -0.571 19682 6884 1 14 . 1 1 46 46 ARG N N 46 117.127 117.127 119.972 -2.845 19682 6885 1 14 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.495 0.225 19682 6886 1 14 . 1 1 46 46 ARG C C 46 176.865 176.865 176.839 0.026 19682 6887 1 14 . 1 1 46 46 ARG CA C 46 55.427 55.427 55.320 0.107 19682 6888 1 14 . 1 1 46 46 ARG CB C 46 34.152 34.152 29.928 4.224 19682 6889 1 14 . 1 1 46 46 ARG H H 46 8.201 8.201 7.535 0.666 19682 6890 1 14 . 1 1 47 47 GLY N N 47 109.334 109.334 111.443 -2.109 19682 6891 1 14 . 1 1 47 47 GLY C C 47 173.670 173.670 174.532 -0.862 19682 6892 1 14 . 1 1 47 47 GLY CA C 47 45.017 45.017 45.259 -0.242 19682 6893 1 14 . 1 1 47 47 GLY H H 47 8.902 8.902 8.998 -0.096 19682 6894 1 14 . 1 1 48 48 ASP N N 48 117.908 117.908 119.941 -2.033 19682 6895 1 14 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.685 0.015 19682 6896 1 14 . 1 1 48 48 ASP C C 48 173.871 173.871 176.834 -2.963 19682 6897 1 14 . 1 1 48 48 ASP CA C 48 52.409 52.409 54.962 -2.553 19682 6898 1 14 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.626 -0.766 19682 6899 1 14 . 1 1 48 48 ASP H H 48 8.046 8.046 8.228 -0.182 19682 6900 1 14 . 1 1 49 49 VAL N N 49 117.921 117.921 123.305 -5.384 19682 6901 1 14 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.066 -0.363 19682 6902 1 14 . 1 1 49 49 VAL C C 49 177.096 177.096 176.532 0.564 19682 6903 1 14 . 1 1 49 49 VAL CA C 49 62.491 62.491 63.050 -0.558 19682 6904 1 14 . 1 1 49 49 VAL CB C 49 29.423 29.423 29.806 -0.383 19682 6905 1 14 . 1 1 49 49 VAL H H 49 8.772 8.772 8.170 0.602 19682 6906 1 14 . 1 1 50 50 GLU N N 50 120.434 120.434 126.595 -6.161 19682 6907 1 14 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.164 -0.332 19682 6908 1 14 . 1 1 50 50 GLU C C 50 178.779 178.779 178.327 0.452 19682 6909 1 14 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.672 1.248 19682 6910 1 14 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.452 -0.315 19682 6911 1 14 . 1 1 50 50 GLU H H 50 9.047 9.047 8.192 0.855 19682 6912 1 14 . 1 1 51 51 GLU N N 51 119.158 119.158 120.778 -1.620 19682 6913 1 14 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.057 0.250 19682 6914 1 14 . 1 1 51 51 GLU C C 51 177.358 177.358 177.568 -0.210 19682 6915 1 14 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.959 -0.703 19682 6916 1 14 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.438 -1.212 19682 6917 1 14 . 1 1 51 51 GLU H H 51 9.822 9.822 8.728 1.094 19682 6918 1 14 . 1 1 52 52 SER N N 52 116.430 116.430 111.092 5.338 19682 6919 1 14 . 1 1 52 52 SER HA H 52 4.716 4.716 4.554 0.162 19682 6920 1 14 . 1 1 52 52 SER C C 52 172.309 172.309 173.903 -1.594 19682 6921 1 14 . 1 1 52 52 SER CA C 52 57.745 57.745 57.286 0.459 19682 6922 1 14 . 1 1 52 52 SER CB C 52 64.494 64.494 63.731 0.763 19682 6923 1 14 . 1 1 52 52 SER H H 52 8.291 8.291 8.131 0.160 19682 6924 1 14 . 1 1 53 53 MET N N 53 121.812 121.812 124.025 -2.213 19682 6925 1 14 . 1 1 53 53 MET HA H 53 4.577 4.577 4.321 0.256 19682 6926 1 14 . 1 1 53 53 MET C C 53 174.385 174.385 175.090 -0.705 19682 6927 1 14 . 1 1 53 53 MET CA C 53 54.784 54.784 55.384 -0.600 19682 6928 1 14 . 1 1 53 53 MET CB C 53 33.410 33.410 32.700 0.710 19682 6929 1 14 . 1 1 53 53 MET H H 53 7.648 7.648 7.295 0.353 19682 6930 1 14 . 1 1 54 54 LEU N N 54 128.167 128.167 127.219 0.948 19682 6931 1 14 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.460 -0.212 19682 6932 1 14 . 1 1 54 54 LEU C C 54 175.111 175.111 175.426 -0.315 19682 6933 1 14 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.990 -0.367 19682 6934 1 14 . 1 1 54 54 LEU CB C 54 43.759 43.759 43.003 0.756 19682 6935 1 14 . 1 1 54 54 LEU H H 54 9.007 9.007 8.365 0.642 19682 6936 1 14 . 1 1 55 55 LEU N N 55 122.173 122.173 120.780 1.393 19682 6937 1 14 . 1 1 55 55 LEU HA H 55 4.805 4.805 5.249 -0.444 19682 6938 1 14 . 1 1 55 55 LEU C C 55 176.260 176.260 175.968 0.292 19682 6939 1 14 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.166 0.081 19682 6940 1 14 . 1 1 55 55 LEU CB C 55 43.273 43.273 45.159 -1.886 19682 6941 1 14 . 1 1 55 55 LEU H H 55 8.139 8.139 8.197 -0.058 19682 6942 1 14 . 1 1 56 56 CYS N N 56 126.541 126.541 125.914 0.627 19682 6943 1 14 . 1 1 56 56 CYS HA H 56 4.726 4.726 5.136 -0.410 19682 6944 1 14 . 1 1 56 56 CYS C C 56 177.671 177.671 176.897 0.774 19682 6945 1 14 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.453 1.767 19682 6946 1 14 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.657 3.426 19682 6947 1 14 . 1 1 56 56 CYS H H 56 8.996 8.996 8.564 0.432 19682 6948 1 14 . 1 1 57 57 ASP N N 57 130.338 130.338 129.015 1.323 19682 6949 1 14 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.444 0.223 19682 6950 1 14 . 1 1 57 57 ASP C C 57 176.159 176.159 177.048 -0.889 19682 6951 1 14 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.658 0.799 19682 6952 1 14 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.056 1.145 19682 6953 1 14 . 1 1 57 57 ASP H H 57 9.373 9.373 8.810 0.563 19682 6954 1 14 . 1 1 58 58 GLY N N 58 114.137 114.137 106.989 7.148 19682 6955 1 14 . 1 1 58 58 GLY C C 58 174.801 174.801 173.300 1.501 19682 6956 1 14 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.669 1.313 19682 6957 1 14 . 1 1 58 58 GLY H H 58 10.023 10.023 8.252 1.771 19682 6958 1 14 . 1 1 59 59 CYS N N 59 120.775 120.775 116.081 4.694 19682 6959 1 14 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.652 0.239 19682 6960 1 14 . 1 1 59 59 CYS C C 59 175.564 175.564 172.553 3.011 19682 6961 1 14 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.453 1.288 19682 6962 1 14 . 1 1 59 59 CYS CB C 59 33.079 33.079 28.344 4.735 19682 6963 1 14 . 1 1 59 59 CYS H H 59 8.132 8.132 7.328 0.804 19682 6964 1 14 . 1 1 60 60 ASP N N 60 119.232 119.232 121.909 -2.677 19682 6965 1 14 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.872 -0.183 19682 6966 1 14 . 1 1 60 60 ASP C C 60 174.738 174.738 174.110 0.628 19682 6967 1 14 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.635 1.830 19682 6968 1 14 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.625 -0.584 19682 6969 1 14 . 1 1 60 60 ASP H H 60 8.085 8.085 8.350 -0.265 19682 6970 1 14 . 1 1 61 61 ASP N N 61 121.704 121.704 123.872 -2.168 19682 6971 1 14 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.675 0.174 19682 6972 1 14 . 1 1 61 61 ASP C C 61 175.454 175.454 174.146 1.308 19682 6973 1 14 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.806 1.687 19682 6974 1 14 . 1 1 61 61 ASP CB C 61 42.194 42.194 44.210 -2.016 19682 6975 1 14 . 1 1 61 61 ASP H H 61 8.703 8.703 8.308 0.395 19682 6976 1 14 . 1 1 62 62 SER N N 62 113.381 113.381 116.515 -3.134 19682 6977 1 14 . 1 1 62 62 SER HA H 62 5.703 5.703 5.551 0.152 19682 6978 1 14 . 1 1 62 62 SER C C 62 173.821 173.821 173.295 0.526 19682 6979 1 14 . 1 1 62 62 SER CA C 62 56.165 56.165 56.400 -0.235 19682 6980 1 14 . 1 1 62 62 SER CB C 62 65.275 65.275 64.414 0.861 19682 6981 1 14 . 1 1 62 62 SER H H 62 8.313 8.313 8.498 -0.185 19682 6982 1 14 . 1 1 63 63 TYR N N 63 120.467 120.467 122.995 -2.528 19682 6983 1 14 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.592 0.759 19682 6984 1 14 . 1 1 63 63 TYR C C 63 175.393 175.393 175.277 0.116 19682 6985 1 14 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.913 -0.226 19682 6986 1 14 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.496 1.830 19682 6987 1 14 . 1 1 63 63 TYR H H 63 8.815 8.815 8.363 0.452 19682 6988 1 14 . 1 1 64 64 HIS N N 64 121.957 121.957 121.517 0.440 19682 6989 1 14 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.086 -0.236 19682 6990 1 14 . 1 1 64 64 HIS C C 64 178.559 178.559 176.852 1.707 19682 6991 1 14 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.181 2.309 19682 6992 1 14 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.622 0.414 19682 6993 1 14 . 1 1 64 64 HIS H H 64 9.276 9.276 7.901 1.375 19682 6994 1 14 . 1 1 65 65 THR N N 65 113.100 113.100 114.697 -1.597 19682 6995 1 14 . 1 1 65 65 THR HA H 65 3.603 3.603 3.845 -0.242 19682 6996 1 14 . 1 1 65 65 THR C C 65 176.824 176.824 176.181 0.643 19682 6997 1 14 . 1 1 65 65 THR CA C 65 64.805 64.805 65.872 -1.067 19682 6998 1 14 . 1 1 65 65 THR CB C 65 66.441 66.441 68.949 -2.508 19682 6999 1 14 . 1 1 65 65 THR H H 65 8.832 8.832 7.945 0.887 19682 7000 1 14 . 1 1 66 66 PHE N N 66 111.288 111.288 118.454 -7.166 19682 7001 1 14 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.581 0.144 19682 7002 1 14 . 1 1 66 66 PHE C C 66 176.846 176.846 176.772 0.074 19682 7003 1 14 . 1 1 66 66 PHE CA C 66 56.215 56.215 59.097 -2.882 19682 7004 1 14 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.537 -0.107 19682 7005 1 14 . 1 1 66 66 PHE H H 66 6.541 6.541 7.717 -1.176 19682 7006 1 14 . 1 1 67 67 CYS N N 67 123.228 123.228 117.021 6.207 19682 7007 1 14 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.405 0.088 19682 7008 1 14 . 1 1 67 67 CYS C C 67 174.627 174.627 175.311 -0.684 19682 7009 1 14 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.376 1.760 19682 7010 1 14 . 1 1 67 67 CYS CB C 67 30.603 30.603 25.950 4.653 19682 7011 1 14 . 1 1 67 67 CYS H H 67 7.384 7.384 7.872 -0.488 19682 7012 1 14 . 1 1 68 68 LEU N N 68 119.645 119.645 118.647 0.998 19682 7013 1 14 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.735 -0.608 19682 7014 1 14 . 1 1 68 68 LEU C C 68 174.738 174.738 175.189 -0.451 19682 7015 1 14 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.600 1.411 19682 7016 1 14 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.024 0.099 19682 7017 1 14 . 1 1 68 68 LEU H H 68 6.514 6.514 7.452 -0.938 19682 7018 1 14 . 1 1 69 69 LEU N N 69 119.803 119.803 118.078 1.725 19682 7019 1 14 . 1 1 69 69 LEU HA H 69 4.683 4.683 5.069 -0.386 19682 7020 1 14 . 1 1 69 69 LEU C C 69 174.879 174.879 175.330 -0.451 19682 7021 1 14 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.107 -0.890 19682 7022 1 14 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.683 1.652 19682 7023 1 14 . 1 1 69 69 LEU H H 69 8.050 8.050 8.138 -0.088 19682 7024 1 14 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.875 0.159 19682 7025 1 14 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.130 0.915 19682 7026 1 14 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.927 1.106 19682 7027 1 14 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.667 -0.219 19682 7028 1 14 . 1 1 71 71 PRO C C 71 177.632 177.632 176.324 1.308 19682 7029 1 14 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.828 0.160 19682 7030 1 14 . 1 1 71 71 PRO CB C 71 32.129 32.129 31.664 0.465 19682 7031 1 14 . 1 1 72 72 LEU N N 72 121.033 121.033 125.821 -4.788 19682 7032 1 14 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.160 0.486 19682 7033 1 14 . 1 1 72 72 LEU C C 72 177.983 177.983 177.864 0.119 19682 7034 1 14 . 1 1 72 72 LEU CA C 72 54.037 54.037 55.104 -1.067 19682 7035 1 14 . 1 1 72 72 LEU CB C 72 43.384 43.384 41.689 1.695 19682 7036 1 14 . 1 1 72 72 LEU H H 72 7.660 7.660 7.721 -0.061 19682 7037 1 14 . 1 1 73 73 THR N N 73 112.645 112.645 116.582 -3.937 19682 7038 1 14 . 1 1 73 73 THR HA H 73 4.289 4.289 4.216 0.073 19682 7039 1 14 . 1 1 73 73 THR C C 73 174.305 174.305 174.705 -0.400 19682 7040 1 14 . 1 1 73 73 THR CA C 73 62.324 62.324 64.266 -1.942 19682 7041 1 14 . 1 1 73 73 THR CB C 73 69.019 69.019 69.147 -0.128 19682 7042 1 14 . 1 1 73 73 THR H H 73 8.694 8.694 8.400 0.294 19682 7043 1 14 . 1 1 74 74 SER N N 74 114.234 114.234 113.931 0.303 19682 7044 1 14 . 1 1 74 74 SER HA H 74 4.584 4.584 4.661 -0.077 19682 7045 1 14 . 1 1 74 74 SER C C 74 172.833 172.833 172.757 0.076 19682 7046 1 14 . 1 1 74 74 SER CA C 74 56.827 56.827 57.057 -0.230 19682 7047 1 14 . 1 1 74 74 SER CB C 74 64.678 64.678 65.097 -0.419 19682 7048 1 14 . 1 1 74 74 SER H H 74 7.503 7.503 7.434 0.069 19682 7049 1 14 . 1 1 75 75 ILE N N 75 123.720 123.720 123.320 0.400 19682 7050 1 14 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.216 -0.137 19682 7051 1 14 . 1 1 75 75 ILE C C 75 174.819 174.819 175.244 -0.425 19682 7052 1 14 . 1 1 75 75 ILE CA C 75 58.608 58.608 58.362 0.246 19682 7053 1 14 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.198 0.590 19682 7054 1 14 . 1 1 75 75 ILE H H 75 8.498 8.498 8.349 0.149 19682 7055 1 14 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.484 -0.076 19682 7056 1 14 . 1 1 76 76 PRO C C 76 176.339 176.339 176.953 -0.614 19682 7057 1 14 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.856 0.148 19682 7058 1 14 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.061 1.075 19682 7059 1 14 . 1 1 77 77 LYS N N 77 121.662 121.662 122.260 -0.598 19682 7060 1 14 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.835 0.500 19682 7061 1 14 . 1 1 77 77 LYS C C 77 177.278 177.278 175.567 1.711 19682 7062 1 14 . 1 1 77 77 LYS CA C 77 56.298 56.298 58.421 -2.123 19682 7063 1 14 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.462 1.315 19682 7064 1 14 . 1 1 77 77 LYS H H 77 8.516 8.516 8.664 -0.148 19682 7065 1 14 . 1 1 78 78 GLY N N 78 110.250 110.250 107.246 3.004 19682 7066 1 14 . 1 1 78 78 GLY C C 78 172.995 172.995 173.244 -0.249 19682 7067 1 14 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.592 -1.046 19682 7068 1 14 . 1 1 78 78 GLY H H 78 8.150 8.150 8.065 0.085 19682 7069 1 14 . 1 1 79 79 GLU N N 79 121.820 121.820 121.847 -0.027 19682 7070 1 14 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.497 -0.128 19682 7071 1 14 . 1 1 79 79 GLU C C 79 175.847 175.847 175.575 0.272 19682 7072 1 14 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.585 0.392 19682 7073 1 14 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.778 0.860 19682 7074 1 14 . 1 1 79 79 GLU H H 79 8.342 8.342 7.936 0.406 19682 7075 1 14 . 1 1 80 80 TRP N N 80 126.690 126.690 128.222 -1.532 19682 7076 1 14 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.939 -0.425 19682 7077 1 14 . 1 1 80 80 TRP C C 80 172.733 172.733 174.608 -1.875 19682 7078 1 14 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.694 2.873 19682 7079 1 14 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.236 -0.827 19682 7080 1 14 . 1 1 80 80 TRP H H 80 9.370 9.370 8.167 1.203 19682 7081 1 14 . 1 1 81 81 LEU N N 81 125.572 125.572 128.588 -3.016 19682 7082 1 14 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.109 0.912 19682 7083 1 14 . 1 1 81 81 LEU C C 81 174.617 174.617 175.831 -1.214 19682 7084 1 14 . 1 1 81 81 LEU CA C 81 51.434 51.434 53.305 -1.871 19682 7085 1 14 . 1 1 81 81 LEU CB C 81 44.860 44.860 42.080 2.780 19682 7086 1 14 . 1 1 81 81 LEU H H 81 6.540 6.540 7.873 -1.333 19682 7087 1 14 . 1 1 82 82 CYS N N 82 125.868 125.868 122.046 3.822 19682 7088 1 14 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.606 -0.077 19682 7089 1 14 . 1 1 82 82 CYS C C 82 172.652 172.652 174.965 -2.313 19682 7090 1 14 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.283 1.279 19682 7091 1 14 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.527 3.017 19682 7092 1 14 . 1 1 82 82 CYS H H 82 9.086 9.086 7.954 1.132 19682 7093 1 14 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.012 0.056 19682 7094 1 14 . 1 1 83 83 PRO C C 83 178.541 178.541 178.595 -0.054 19682 7095 1 14 . 1 1 83 83 PRO CA C 83 65.267 65.267 66.033 -0.766 19682 7096 1 14 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.664 0.545 19682 7097 1 14 . 1 1 84 84 ARG N N 84 117.140 117.140 116.309 0.831 19682 7098 1 14 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.159 0.038 19682 7099 1 14 . 1 1 84 84 ARG C C 84 177.983 177.983 177.094 0.889 19682 7100 1 14 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.180 0.357 19682 7101 1 14 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.204 1.611 19682 7102 1 14 . 1 1 84 84 ARG H H 84 8.041 8.041 8.354 -0.313 19682 7103 1 14 . 1 1 85 85 CYS N N 85 123.417 123.417 117.501 5.916 19682 7104 1 14 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.181 -0.278 19682 7105 1 14 . 1 1 85 85 CYS C C 85 177.298 177.298 176.826 0.472 19682 7106 1 14 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.415 2.753 19682 7107 1 14 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.176 3.862 19682 7108 1 14 . 1 1 85 85 CYS H H 85 8.210 8.210 7.491 0.719 19682 7109 1 14 . 1 1 86 86 VAL N N 86 118.037 118.037 120.745 -2.708 19682 7110 1 14 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.635 0.005 19682 7111 1 14 . 1 1 86 86 VAL C C 86 176.623 176.623 177.139 -0.516 19682 7112 1 14 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.929 -1.421 19682 7113 1 14 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.646 0.156 19682 7114 1 14 . 1 1 86 86 VAL H H 86 7.951 7.951 7.959 -0.008 19682 7115 1 14 . 1 1 87 87 VAL N N 87 119.227 119.227 119.872 -0.645 19682 7116 1 14 . 1 1 87 87 VAL HA H 87 3.976 3.976 4.076 -0.100 19682 7117 1 14 . 1 1 87 87 VAL C C 87 176.774 176.774 175.154 1.620 19682 7118 1 14 . 1 1 87 87 VAL CA C 87 63.182 63.182 60.760 2.422 19682 7119 1 14 . 1 1 87 87 VAL CB C 87 32.210 32.210 29.023 3.187 19682 7120 1 14 . 1 1 87 87 VAL H H 87 7.255 7.255 7.412 -0.157 19682 7121 1 14 . 1 1 88 88 GLU N N 88 122.469 122.469 125.551 -3.082 19682 7122 1 14 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.157 0.042 19682 7123 1 14 . 1 1 88 88 GLU C C 88 176.623 176.623 176.431 0.192 19682 7124 1 14 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.135 0.815 19682 7125 1 14 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.127 -0.037 19682 7126 1 14 . 1 1 88 88 GLU H H 88 7.986 7.986 7.679 0.307 19682 7127 1 14 . 1 1 89 89 GLU N N 89 121.343 121.343 121.864 -0.521 19682 7128 1 14 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.266 -0.077 19682 7129 1 14 . 1 1 89 89 GLU C C 89 176.744 176.744 175.960 0.784 19682 7130 1 14 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.221 0.735 19682 7131 1 14 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.690 0.222 19682 7132 1 14 . 1 1 89 89 GLU H H 89 8.168 8.168 8.605 -0.437 19682 7133 1 14 . 1 1 90 90 VAL N N 90 120.127 120.127 126.593 -6.466 19682 7134 1 14 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.181 -0.097 19682 7135 1 14 . 1 1 90 90 VAL C C 90 176.290 176.290 175.256 1.034 19682 7136 1 14 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.148 0.444 19682 7137 1 14 . 1 1 90 90 VAL CB C 90 32.527 32.527 32.838 -0.311 19682 7138 1 14 . 1 1 90 90 VAL H H 90 8.027 8.027 8.553 -0.526 19682 7139 1 14 . 1 1 91 91 SER N N 91 118.678 118.678 116.244 2.434 19682 7140 1 14 . 1 1 91 91 SER HA H 91 4.439 4.439 4.605 -0.166 19682 7141 1 14 . 1 1 91 91 SER C C 91 173.932 173.932 173.339 0.593 19682 7142 1 14 . 1 1 91 91 SER CA C 91 58.189 58.189 57.555 0.634 19682 7143 1 14 . 1 1 91 91 SER CB C 91 63.706 63.706 63.612 0.094 19682 7144 1 14 . 1 1 91 91 SER H H 91 8.222 8.222 8.025 0.197 19682 7145 1 14 . 1 1 92 92 LYS N N 92 124.547 124.547 126.006 -1.459 19682 7146 1 14 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.174 0.433 19682 7147 1 14 . 1 1 92 92 LYS C C 92 174.395 174.395 174.000 0.395 19682 7148 1 14 . 1 1 92 92 LYS CA C 92 54.272 54.272 56.113 -1.841 19682 7149 1 14 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.417 0.229 19682 7150 1 14 . 1 1 92 92 LYS H H 92 8.165 8.165 8.475 -0.310 19682 7151 1 14 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.478 -0.059 19682 7152 1 14 . 1 1 93 93 PRO C C 93 176.194 176.194 176.752 -0.558 19682 7153 1 14 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.733 0.685 19682 7154 1 14 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.644 0.252 19682 7155 1 15 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.961 -0.211 19682 7156 1 15 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.124 1.167 19682 7157 1 15 . 1 1 2 2 HIS CB C 2 30.558 30.558 31.312 -0.754 19682 7158 1 15 . 1 1 2 2 HIS H H 2 8.134 8.134 8.001 0.133 19682 7159 1 15 . 1 1 3 3 MET N N 3 123.164 123.164 124.177 -1.013 19682 7160 1 15 . 1 1 3 3 MET HA H 3 4.494 4.494 4.523 -0.029 19682 7161 1 15 . 1 1 3 3 MET C C 3 176.078 176.078 175.973 0.105 19682 7162 1 15 . 1 1 3 3 MET CA C 3 55.504 55.504 54.592 0.912 19682 7163 1 15 . 1 1 3 3 MET CB C 3 32.860 32.860 32.523 0.337 19682 7164 1 15 . 1 1 3 3 MET H H 3 8.419 8.419 8.653 -0.234 19682 7165 1 15 . 1 1 4 4 SER N N 4 117.403 117.403 118.663 -1.260 19682 7166 1 15 . 1 1 4 4 SER HA H 4 4.439 4.439 4.450 -0.011 19682 7167 1 15 . 1 1 4 4 SER C C 4 175.011 175.011 174.891 0.120 19682 7168 1 15 . 1 1 4 4 SER CA C 4 58.516 58.516 58.448 0.068 19682 7169 1 15 . 1 1 4 4 SER CB C 4 63.773 63.773 63.123 0.650 19682 7170 1 15 . 1 1 4 4 SER H H 4 8.416 8.416 8.716 -0.300 19682 7171 1 15 . 1 1 5 5 GLY N N 5 111.174 111.174 113.670 -2.496 19682 7172 1 15 . 1 1 5 5 GLY C C 5 174.567 174.567 173.812 0.755 19682 7173 1 15 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.113 0.072 19682 7174 1 15 . 1 1 5 5 GLY H H 5 8.475 8.475 7.610 0.865 19682 7175 1 15 . 1 1 6 6 GLY N N 6 108.594 108.594 107.880 0.714 19682 7176 1 15 . 1 1 6 6 GLY C C 6 173.781 173.781 175.091 -1.310 19682 7177 1 15 . 1 1 6 6 GLY CA C 6 44.983 44.983 46.125 -1.142 19682 7178 1 15 . 1 1 6 6 GLY H H 6 8.274 8.274 8.969 -0.695 19682 7179 1 15 . 1 1 7 7 SER N N 7 116.558 116.558 117.870 -1.312 19682 7180 1 15 . 1 1 7 7 SER C C 7 172.995 172.995 173.532 -0.537 19682 7181 1 15 . 1 1 7 7 SER CA C 7 56.387 56.387 55.890 0.497 19682 7182 1 15 . 1 1 7 7 SER CB C 7 63.508 63.508 63.886 -0.378 19682 7183 1 15 . 1 1 7 7 SER H H 7 8.220 8.220 8.169 0.051 19682 7184 1 15 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.593 -0.139 19682 7185 1 15 . 1 1 8 8 PRO C C 8 176.864 176.864 175.815 1.049 19682 7186 1 15 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.261 1.088 19682 7187 1 15 . 1 1 8 8 PRO CB C 8 32.010 32.010 29.890 2.120 19682 7188 1 15 . 1 1 9 9 LEU N N 9 121.497 121.497 120.167 1.330 19682 7189 1 15 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.399 -0.095 19682 7190 1 15 . 1 1 9 9 LEU C C 9 177.237 177.237 176.047 1.190 19682 7191 1 15 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.750 0.273 19682 7192 1 15 . 1 1 9 9 LEU CB C 9 42.353 42.353 39.976 2.377 19682 7193 1 15 . 1 1 9 9 LEU H H 9 8.196 8.196 7.607 0.589 19682 7194 1 15 . 1 1 10 10 ALA N N 10 124.964 124.964 129.722 -4.758 19682 7195 1 15 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.619 -0.217 19682 7196 1 15 . 1 1 10 10 ALA C C 10 177.812 177.812 176.971 0.841 19682 7197 1 15 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.377 1.031 19682 7198 1 15 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.695 0.543 19682 7199 1 15 . 1 1 10 10 ALA H H 10 8.242 8.242 8.059 0.183 19682 7200 1 15 . 1 1 11 11 THR N N 11 112.852 112.852 116.515 -3.663 19682 7201 1 15 . 1 1 11 11 THR HA H 11 4.341 4.341 4.469 -0.128 19682 7202 1 15 . 1 1 11 11 THR C C 11 175.181 175.181 174.830 0.351 19682 7203 1 15 . 1 1 11 11 THR CA C 11 61.870 61.870 62.333 -0.463 19682 7204 1 15 . 1 1 11 11 THR CB C 11 69.622 69.622 69.153 0.469 19682 7205 1 15 . 1 1 11 11 THR H H 11 8.081 8.081 8.266 -0.185 19682 7206 1 15 . 1 1 12 12 GLY N N 12 110.929 110.929 116.100 -5.171 19682 7207 1 15 . 1 1 12 12 GLY C C 12 174.395 174.395 174.070 0.325 19682 7208 1 15 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.461 -0.085 19682 7209 1 15 . 1 1 12 12 GLY H H 12 8.408 8.408 8.467 -0.059 19682 7210 1 15 . 1 1 13 13 THR N N 13 113.482 113.482 116.384 -2.902 19682 7211 1 15 . 1 1 13 13 THR HA H 13 4.445 4.445 4.247 0.198 19682 7212 1 15 . 1 1 13 13 THR C C 13 174.889 174.889 174.988 -0.099 19682 7213 1 15 . 1 1 13 13 THR CA C 13 61.816 61.816 62.475 -0.659 19682 7214 1 15 . 1 1 13 13 THR CB C 13 69.812 69.812 68.364 1.448 19682 7215 1 15 . 1 1 13 13 THR H H 13 8.130 8.130 8.072 0.058 19682 7216 1 15 . 1 1 14 14 THR N N 14 116.080 116.080 121.008 -4.928 19682 7217 1 15 . 1 1 14 14 THR HA H 14 4.370 4.370 4.317 0.053 19682 7218 1 15 . 1 1 14 14 THR C C 14 174.385 174.385 173.486 0.899 19682 7219 1 15 . 1 1 14 14 THR CA C 14 61.788 61.788 62.447 -0.659 19682 7220 1 15 . 1 1 14 14 THR CB C 14 69.696 69.696 68.940 0.756 19682 7221 1 15 . 1 1 14 14 THR H H 14 8.199 8.199 8.193 0.006 19682 7222 1 15 . 1 1 15 15 ALA N N 15 126.054 126.054 128.925 -2.871 19682 7223 1 15 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.503 -0.202 19682 7224 1 15 . 1 1 15 15 ALA C C 15 177.469 177.469 175.382 2.087 19682 7225 1 15 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.748 1.098 19682 7226 1 15 . 1 1 15 15 ALA CB C 15 19.184 19.184 20.456 -1.272 19682 7227 1 15 . 1 1 15 15 ALA H H 15 8.349 8.349 8.613 -0.264 19682 7228 1 15 . 1 1 16 16 ASN N N 16 117.718 117.718 119.251 -1.533 19682 7229 1 15 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.798 -0.054 19682 7230 1 15 . 1 1 16 16 ASN C C 16 175.575 175.575 173.607 1.968 19682 7231 1 15 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.542 0.655 19682 7232 1 15 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.798 -1.066 19682 7233 1 15 . 1 1 16 16 ASN H H 16 8.403 8.403 8.467 -0.064 19682 7234 1 15 . 1 1 17 17 THR N N 17 114.153 114.153 116.083 -1.930 19682 7235 1 15 . 1 1 17 17 THR HA H 17 4.312 4.312 4.581 -0.269 19682 7236 1 15 . 1 1 17 17 THR C C 17 174.799 174.799 173.899 0.900 19682 7237 1 15 . 1 1 17 17 THR CA C 17 61.973 61.973 62.104 -0.131 19682 7238 1 15 . 1 1 17 17 THR CB C 17 69.624 69.624 69.064 0.560 19682 7239 1 15 . 1 1 17 17 THR H H 17 8.081 8.081 8.376 -0.295 19682 7240 1 15 . 1 1 18 18 ARG N N 18 122.990 122.990 124.770 -1.780 19682 7241 1 15 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.512 -0.187 19682 7242 1 15 . 1 1 18 18 ARG C C 18 176.875 176.875 174.757 2.118 19682 7243 1 15 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.519 1.032 19682 7244 1 15 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.342 -0.755 19682 7245 1 15 . 1 1 18 18 ARG H H 18 8.351 8.351 8.501 -0.150 19682 7246 1 15 . 1 1 19 19 GLY N N 19 109.993 109.993 108.271 1.722 19682 7247 1 15 . 1 1 19 19 GLY C C 19 174.002 174.002 172.834 1.168 19682 7248 1 15 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.390 0.924 19682 7249 1 15 . 1 1 19 19 GLY H H 19 8.394 8.394 8.410 -0.016 19682 7250 1 15 . 1 1 20 20 ALA N N 20 123.732 123.732 123.477 0.255 19682 7251 1 15 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.522 -0.180 19682 7252 1 15 . 1 1 20 20 ALA C C 20 178.034 178.034 177.957 0.077 19682 7253 1 15 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.239 0.411 19682 7254 1 15 . 1 1 20 20 ALA CB C 20 19.221 19.221 18.978 0.243 19682 7255 1 15 . 1 1 20 20 ALA H H 20 8.185 8.185 8.259 -0.074 19682 7256 1 15 . 1 1 21 21 SER N N 21 114.750 114.750 120.788 -6.038 19682 7257 1 15 . 1 1 21 21 SER HA H 21 4.419 4.419 4.405 0.014 19682 7258 1 15 . 1 1 21 21 SER C C 21 174.627 174.627 173.752 0.875 19682 7259 1 15 . 1 1 21 21 SER CA C 21 58.495 58.495 57.745 0.750 19682 7260 1 15 . 1 1 21 21 SER CB C 21 63.697 63.697 62.493 1.204 19682 7261 1 15 . 1 1 21 21 SER H H 21 8.319 8.319 8.593 -0.274 19682 7262 1 15 . 1 1 22 22 GLN N N 22 122.092 122.092 123.825 -1.733 19682 7263 1 15 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.266 0.078 19682 7264 1 15 . 1 1 22 22 GLN C C 22 175.857 175.857 175.656 0.201 19682 7265 1 15 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.282 0.492 19682 7266 1 15 . 1 1 22 22 GLN CB C 22 29.398 29.398 29.326 0.072 19682 7267 1 15 . 1 1 22 22 GLN H H 22 8.343 8.343 7.829 0.514 19682 7268 1 15 . 1 1 23 23 LYS N N 23 122.663 122.663 125.673 -3.010 19682 7269 1 15 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.144 0.153 19682 7270 1 15 . 1 1 23 23 LYS C C 23 176.502 176.502 176.391 0.111 19682 7271 1 15 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.405 -0.090 19682 7272 1 15 . 1 1 23 23 LYS CB C 23 33.048 33.048 31.627 1.421 19682 7273 1 15 . 1 1 23 23 LYS H H 23 8.309 8.309 8.411 -0.102 19682 7274 1 15 . 1 1 24 24 LYS N N 24 123.434 123.434 124.688 -1.254 19682 7275 1 15 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.220 0.106 19682 7276 1 15 . 1 1 24 24 LYS C C 24 177.026 177.026 177.251 -0.225 19682 7277 1 15 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.823 -0.464 19682 7278 1 15 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.634 0.359 19682 7279 1 15 . 1 1 24 24 LYS H H 24 8.469 8.469 8.076 0.393 19682 7280 1 15 . 1 1 25 25 GLY N N 25 110.813 110.813 110.369 0.444 19682 7281 1 15 . 1 1 25 25 GLY C C 25 174.476 174.476 173.623 0.853 19682 7282 1 15 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.414 0.860 19682 7283 1 15 . 1 1 25 25 GLY H H 25 8.531 8.531 8.313 0.218 19682 7284 1 15 . 1 1 26 26 GLY N N 26 108.690 108.690 110.877 -2.187 19682 7285 1 15 . 1 1 26 26 GLY C C 26 173.851 173.851 173.280 0.571 19682 7286 1 15 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.128 -0.059 19682 7287 1 15 . 1 1 26 26 GLY H H 26 8.279 8.279 8.199 0.080 19682 7288 1 15 . 1 1 27 27 GLU N N 27 121.707 121.707 120.997 0.710 19682 7289 1 15 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.262 0.322 19682 7290 1 15 . 1 1 27 27 GLU C C 27 174.204 174.204 174.013 0.191 19682 7291 1 15 . 1 1 27 27 GLU CA C 27 54.440 54.440 55.974 -1.534 19682 7292 1 15 . 1 1 27 27 GLU CB C 27 29.437 29.437 29.488 -0.051 19682 7293 1 15 . 1 1 27 27 GLU H H 27 8.321 8.321 8.346 -0.025 19682 7294 1 15 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.501 -0.107 19682 7295 1 15 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.956 0.855 19682 7296 1 15 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.718 0.440 19682 7297 1 15 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.295 0.102 19682 7298 1 15 . 1 1 29 29 PRO C C 29 176.462 176.462 176.909 -0.447 19682 7299 1 15 . 1 1 29 29 PRO CA C 29 62.844 62.844 63.381 -0.537 19682 7300 1 15 . 1 1 29 29 PRO CB C 29 31.961 31.961 30.814 1.147 19682 7301 1 15 . 1 1 30 30 ALA N N 30 123.850 123.850 126.984 -3.134 19682 7302 1 15 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.044 0.230 19682 7303 1 15 . 1 1 30 30 ALA C C 30 177.368 177.368 176.839 0.529 19682 7304 1 15 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.610 -0.353 19682 7305 1 15 . 1 1 30 30 ALA CB C 30 19.237 19.237 18.577 0.660 19682 7306 1 15 . 1 1 30 30 ALA H H 30 8.290 8.290 8.047 0.243 19682 7307 1 15 . 1 1 31 31 LEU N N 31 121.430 121.430 118.329 3.101 19682 7308 1 15 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.560 -0.227 19682 7309 1 15 . 1 1 31 31 LEU C C 31 176.804 176.804 176.098 0.706 19682 7310 1 15 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.710 0.305 19682 7311 1 15 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.015 0.429 19682 7312 1 15 . 1 1 31 31 LEU H H 31 8.139 8.139 8.475 -0.336 19682 7313 1 15 . 1 1 32 32 ILE N N 32 123.070 123.070 119.023 4.047 19682 7314 1 15 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.733 0.435 19682 7315 1 15 . 1 1 32 32 ILE C C 32 175.887 175.887 176.870 -0.983 19682 7316 1 15 . 1 1 32 32 ILE CA C 32 60.690 60.690 62.373 -1.683 19682 7317 1 15 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.942 1.535 19682 7318 1 15 . 1 1 32 32 ILE H H 32 8.140 8.140 7.755 0.385 19682 7319 1 15 . 1 1 33 33 VAL N N 33 124.923 124.923 121.201 3.722 19682 7320 1 15 . 1 1 33 33 VAL HA H 33 4.087 4.087 3.991 0.096 19682 7321 1 15 . 1 1 33 33 VAL C C 33 175.232 175.232 176.001 -0.769 19682 7322 1 15 . 1 1 33 33 VAL CA C 33 61.851 61.851 63.050 -1.199 19682 7323 1 15 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.212 0.708 19682 7324 1 15 . 1 1 33 33 VAL H H 33 8.198 8.198 8.144 0.054 19682 7325 1 15 . 1 1 34 34 ASP N N 34 125.813 125.813 118.954 6.859 19682 7326 1 15 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.827 0.033 19682 7327 1 15 . 1 1 34 34 ASP C C 34 174.919 174.919 174.562 0.357 19682 7328 1 15 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.947 -1.021 19682 7329 1 15 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.508 -1.004 19682 7330 1 15 . 1 1 34 34 ASP H H 34 8.336 8.336 7.809 0.527 19682 7331 1 15 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.726 -0.362 19682 7332 1 15 . 1 1 35 35 PRO C C 35 177.091 177.091 176.184 0.907 19682 7333 1 15 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.149 0.365 19682 7334 1 15 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.523 -0.350 19682 7335 1 15 . 1 1 36 36 LEU N N 36 119.977 119.977 118.958 1.019 19682 7336 1 15 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.512 -0.256 19682 7337 1 15 . 1 1 36 36 LEU C C 36 177.479 177.479 175.900 1.579 19682 7338 1 15 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.294 0.932 19682 7339 1 15 . 1 1 36 36 LEU CB C 36 41.635 41.635 43.561 -1.926 19682 7340 1 15 . 1 1 36 36 LEU H H 36 8.316 8.316 7.724 0.592 19682 7341 1 15 . 1 1 37 37 MET N N 37 120.231 120.231 119.418 0.813 19682 7342 1 15 . 1 1 37 37 MET HA H 37 4.326 4.326 4.231 0.095 19682 7343 1 15 . 1 1 37 37 MET C C 37 175.171 175.171 175.206 -0.035 19682 7344 1 15 . 1 1 37 37 MET CA C 37 55.160 55.160 55.428 -0.268 19682 7345 1 15 . 1 1 37 37 MET CB C 37 32.514 32.514 30.100 2.414 19682 7346 1 15 . 1 1 37 37 MET H H 37 7.893 7.893 7.826 0.067 19682 7347 1 15 . 1 1 38 38 LYS N N 38 122.361 122.361 125.518 -3.157 19682 7348 1 15 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.121 0.039 19682 7349 1 15 . 1 1 38 38 LYS C C 38 175.837 175.837 175.245 0.592 19682 7350 1 15 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.685 0.420 19682 7351 1 15 . 1 1 38 38 LYS CB C 38 33.214 33.214 30.839 2.375 19682 7352 1 15 . 1 1 38 38 LYS H H 38 7.929 7.929 8.481 -0.552 19682 7353 1 15 . 1 1 39 39 TYR N N 39 120.347 120.347 115.425 4.922 19682 7354 1 15 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.106 0.464 19682 7355 1 15 . 1 1 39 39 TYR C C 39 174.325 174.325 174.965 -0.640 19682 7356 1 15 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.834 -1.410 19682 7357 1 15 . 1 1 39 39 TYR CB C 39 38.609 38.609 35.389 3.220 19682 7358 1 15 . 1 1 39 39 TYR H H 39 8.020 8.020 7.275 0.745 19682 7359 1 15 . 1 1 40 40 ILE N N 40 119.688 119.688 118.969 0.719 19682 7360 1 15 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.214 -0.239 19682 7361 1 15 . 1 1 40 40 ILE C C 40 175.181 175.181 175.373 -0.192 19682 7362 1 15 . 1 1 40 40 ILE CA C 40 58.580 58.580 59.113 -0.533 19682 7363 1 15 . 1 1 40 40 ILE CB C 40 39.694 39.694 42.214 -2.520 19682 7364 1 15 . 1 1 40 40 ILE H H 40 8.000 8.000 7.505 0.495 19682 7365 1 15 . 1 1 41 41 CYS N N 41 129.049 129.049 125.768 3.281 19682 7366 1 15 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.112 -0.140 19682 7367 1 15 . 1 1 41 41 CYS C C 41 177.197 177.197 176.013 1.184 19682 7368 1 15 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.963 0.094 19682 7369 1 15 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.493 5.881 19682 7370 1 15 . 1 1 41 41 CYS H H 41 7.990 7.990 8.638 -0.648 19682 7371 1 15 . 1 1 42 42 HIS N N 42 127.633 127.633 128.642 -1.009 19682 7372 1 15 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.194 -0.062 19682 7373 1 15 . 1 1 42 42 HIS C C 42 174.385 174.385 175.943 -1.558 19682 7374 1 15 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.755 -0.764 19682 7375 1 15 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.842 -1.142 19682 7376 1 15 . 1 1 42 42 HIS H H 42 8.933 8.933 8.497 0.436 19682 7377 1 15 . 1 1 43 43 ILE N N 43 119.482 119.482 119.081 0.401 19682 7378 1 15 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.999 0.166 19682 7379 1 15 . 1 1 43 43 ILE C C 43 176.673 176.673 176.911 -0.238 19682 7380 1 15 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.312 -1.190 19682 7381 1 15 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.698 -0.364 19682 7382 1 15 . 1 1 43 43 ILE H H 43 8.944 8.944 7.814 1.130 19682 7383 1 15 . 1 1 44 44 CYS N N 44 117.996 117.996 116.256 1.740 19682 7384 1 15 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.518 0.366 19682 7385 1 15 . 1 1 44 44 CYS C C 44 176.008 176.008 176.446 -0.438 19682 7386 1 15 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.156 -0.155 19682 7387 1 15 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.080 2.975 19682 7388 1 15 . 1 1 44 44 CYS H H 44 8.221 8.221 7.952 0.269 19682 7389 1 15 . 1 1 45 45 ASN N N 45 117.410 117.410 116.751 0.659 19682 7390 1 15 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.285 0.102 19682 7391 1 15 . 1 1 45 45 ASN C C 45 173.893 173.893 174.225 -0.332 19682 7392 1 15 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.529 -0.515 19682 7393 1 15 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.528 0.326 19682 7394 1 15 . 1 1 45 45 ASN H H 45 8.040 8.040 8.550 -0.510 19682 7395 1 15 . 1 1 46 46 ARG N N 46 117.127 117.127 121.613 -4.486 19682 7396 1 15 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.415 0.305 19682 7397 1 15 . 1 1 46 46 ARG C C 46 176.865 176.865 175.682 1.183 19682 7398 1 15 . 1 1 46 46 ARG CA C 46 55.427 55.427 56.035 -0.608 19682 7399 1 15 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.850 3.302 19682 7400 1 15 . 1 1 46 46 ARG H H 46 8.201 8.201 7.783 0.418 19682 7401 1 15 . 1 1 47 47 GLY N N 47 109.334 109.334 110.744 -1.410 19682 7402 1 15 . 1 1 47 47 GLY C C 47 173.670 173.670 173.720 -0.050 19682 7403 1 15 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.633 0.384 19682 7404 1 15 . 1 1 47 47 GLY H H 47 8.902 8.902 8.581 0.321 19682 7405 1 15 . 1 1 48 48 ASP N N 48 117.908 117.908 120.066 -2.158 19682 7406 1 15 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.437 0.263 19682 7407 1 15 . 1 1 48 48 ASP C C 48 173.871 173.871 177.372 -3.501 19682 7408 1 15 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.044 -3.635 19682 7409 1 15 . 1 1 48 48 ASP CB C 48 40.859 40.859 40.933 -0.074 19682 7410 1 15 . 1 1 48 48 ASP H H 48 8.046 8.046 8.266 -0.220 19682 7411 1 15 . 1 1 49 49 VAL N N 49 117.921 117.921 120.614 -2.693 19682 7412 1 15 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.052 -0.349 19682 7413 1 15 . 1 1 49 49 VAL C C 49 177.096 177.096 175.929 1.167 19682 7414 1 15 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.195 0.296 19682 7415 1 15 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.392 -0.969 19682 7416 1 15 . 1 1 49 49 VAL H H 49 8.772 8.772 7.930 0.842 19682 7417 1 15 . 1 1 50 50 GLU N N 50 120.434 120.434 125.893 -5.459 19682 7418 1 15 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.193 -0.361 19682 7419 1 15 . 1 1 50 50 GLU C C 50 178.779 178.779 178.013 0.766 19682 7420 1 15 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.664 1.256 19682 7421 1 15 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.732 -0.595 19682 7422 1 15 . 1 1 50 50 GLU H H 50 9.047 9.047 8.023 1.024 19682 7423 1 15 . 1 1 51 51 GLU N N 51 119.158 119.158 118.985 0.173 19682 7424 1 15 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.139 0.168 19682 7425 1 15 . 1 1 51 51 GLU C C 51 177.358 177.358 177.217 0.141 19682 7426 1 15 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.272 -0.016 19682 7427 1 15 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.067 -0.842 19682 7428 1 15 . 1 1 51 51 GLU H H 51 9.822 9.822 8.856 0.966 19682 7429 1 15 . 1 1 52 52 SER N N 52 116.430 116.430 112.819 3.611 19682 7430 1 15 . 1 1 52 52 SER HA H 52 4.716 4.716 4.651 0.065 19682 7431 1 15 . 1 1 52 52 SER C C 52 172.309 172.309 173.663 -1.354 19682 7432 1 15 . 1 1 52 52 SER CA C 52 57.745 57.745 57.603 0.142 19682 7433 1 15 . 1 1 52 52 SER CB C 52 64.494 64.494 64.047 0.447 19682 7434 1 15 . 1 1 52 52 SER H H 52 8.291 8.291 7.727 0.564 19682 7435 1 15 . 1 1 53 53 MET N N 53 121.812 121.812 123.901 -2.089 19682 7436 1 15 . 1 1 53 53 MET HA H 53 4.577 4.577 4.516 0.061 19682 7437 1 15 . 1 1 53 53 MET C C 53 174.385 174.385 174.901 -0.516 19682 7438 1 15 . 1 1 53 53 MET CA C 53 54.784 54.784 54.842 -0.058 19682 7439 1 15 . 1 1 53 53 MET CB C 53 33.410 33.410 32.576 0.834 19682 7440 1 15 . 1 1 53 53 MET H H 53 7.648 7.648 7.285 0.363 19682 7441 1 15 . 1 1 54 54 LEU N N 54 128.167 128.167 128.441 -0.274 19682 7442 1 15 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.464 -0.216 19682 7443 1 15 . 1 1 54 54 LEU C C 54 175.111 175.111 175.610 -0.499 19682 7444 1 15 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.452 0.171 19682 7445 1 15 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.500 1.259 19682 7446 1 15 . 1 1 54 54 LEU H H 54 9.007 9.007 8.677 0.330 19682 7447 1 15 . 1 1 55 55 LEU N N 55 122.173 122.173 125.112 -2.939 19682 7448 1 15 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.960 -0.155 19682 7449 1 15 . 1 1 55 55 LEU C C 55 176.260 176.260 176.385 -0.125 19682 7450 1 15 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.471 -0.224 19682 7451 1 15 . 1 1 55 55 LEU CB C 55 43.273 43.273 42.955 0.318 19682 7452 1 15 . 1 1 55 55 LEU H H 55 8.139 8.139 8.400 -0.261 19682 7453 1 15 . 1 1 56 56 CYS N N 56 126.541 126.541 128.780 -2.239 19682 7454 1 15 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.760 -0.034 19682 7455 1 15 . 1 1 56 56 CYS C C 56 177.671 177.671 176.412 1.259 19682 7456 1 15 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.753 1.467 19682 7457 1 15 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.488 4.595 19682 7458 1 15 . 1 1 56 56 CYS H H 56 8.996 8.996 9.126 -0.130 19682 7459 1 15 . 1 1 57 57 ASP N N 57 130.338 130.338 130.034 0.304 19682 7460 1 15 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.475 0.192 19682 7461 1 15 . 1 1 57 57 ASP C C 57 176.159 176.159 176.946 -0.787 19682 7462 1 15 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.448 1.009 19682 7463 1 15 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.026 1.175 19682 7464 1 15 . 1 1 57 57 ASP H H 57 9.373 9.373 8.861 0.512 19682 7465 1 15 . 1 1 58 58 GLY N N 58 114.137 114.137 105.012 9.125 19682 7466 1 15 . 1 1 58 58 GLY C C 58 174.801 174.801 173.786 1.015 19682 7467 1 15 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.678 1.304 19682 7468 1 15 . 1 1 58 58 GLY H H 58 10.023 10.023 8.355 1.668 19682 7469 1 15 . 1 1 59 59 CYS N N 59 120.775 120.775 116.724 4.051 19682 7470 1 15 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.778 0.113 19682 7471 1 15 . 1 1 59 59 CYS C C 59 175.564 175.564 173.317 2.247 19682 7472 1 15 . 1 1 59 59 CYS CA C 59 58.741 58.741 59.672 -0.931 19682 7473 1 15 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.431 3.648 19682 7474 1 15 . 1 1 59 59 CYS H H 59 8.132 8.132 7.701 0.431 19682 7475 1 15 . 1 1 60 60 ASP N N 60 119.232 119.232 118.636 0.596 19682 7476 1 15 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.612 0.077 19682 7477 1 15 . 1 1 60 60 ASP C C 60 174.738 174.738 174.638 0.100 19682 7478 1 15 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.159 1.306 19682 7479 1 15 . 1 1 60 60 ASP CB C 60 41.041 41.041 40.851 0.190 19682 7480 1 15 . 1 1 60 60 ASP H H 60 8.085 8.085 8.493 -0.408 19682 7481 1 15 . 1 1 61 61 ASP N N 61 121.704 121.704 120.118 1.586 19682 7482 1 15 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.715 0.134 19682 7483 1 15 . 1 1 61 61 ASP C C 61 175.454 175.454 175.047 0.407 19682 7484 1 15 . 1 1 61 61 ASP CA C 61 55.493 55.493 55.446 0.047 19682 7485 1 15 . 1 1 61 61 ASP CB C 61 42.194 42.194 42.305 -0.111 19682 7486 1 15 . 1 1 61 61 ASP H H 61 8.703 8.703 8.312 0.391 19682 7487 1 15 . 1 1 62 62 SER N N 62 113.381 113.381 115.227 -1.846 19682 7488 1 15 . 1 1 62 62 SER HA H 62 5.703 5.703 5.779 -0.076 19682 7489 1 15 . 1 1 62 62 SER C C 62 173.821 173.821 173.062 0.759 19682 7490 1 15 . 1 1 62 62 SER CA C 62 56.165 56.165 57.113 -0.948 19682 7491 1 15 . 1 1 62 62 SER CB C 62 65.275 65.275 66.553 -1.278 19682 7492 1 15 . 1 1 62 62 SER H H 62 8.313 8.313 8.541 -0.228 19682 7493 1 15 . 1 1 63 63 TYR N N 63 120.467 120.467 119.789 0.678 19682 7494 1 15 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.586 0.765 19682 7495 1 15 . 1 1 63 63 TYR C C 63 175.393 175.393 174.764 0.629 19682 7496 1 15 . 1 1 63 63 TYR CA C 63 56.687 56.687 57.081 -0.394 19682 7497 1 15 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.717 1.609 19682 7498 1 15 . 1 1 63 63 TYR H H 63 8.815 8.815 8.849 -0.034 19682 7499 1 15 . 1 1 64 64 HIS N N 64 121.957 121.957 124.161 -2.204 19682 7500 1 15 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.972 -0.122 19682 7501 1 15 . 1 1 64 64 HIS C C 64 178.559 178.559 177.323 1.236 19682 7502 1 15 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.540 1.950 19682 7503 1 15 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.521 0.515 19682 7504 1 15 . 1 1 64 64 HIS H H 64 9.276 9.276 8.082 1.194 19682 7505 1 15 . 1 1 65 65 THR N N 65 113.100 113.100 117.437 -4.337 19682 7506 1 15 . 1 1 65 65 THR HA H 65 3.603 3.603 3.854 -0.251 19682 7507 1 15 . 1 1 65 65 THR C C 65 176.824 176.824 176.302 0.522 19682 7508 1 15 . 1 1 65 65 THR CA C 65 64.805 64.805 66.289 -1.484 19682 7509 1 15 . 1 1 65 65 THR CB C 65 66.441 66.441 68.824 -2.383 19682 7510 1 15 . 1 1 65 65 THR H H 65 8.832 8.832 8.006 0.826 19682 7511 1 15 . 1 1 66 66 PHE N N 66 111.288 111.288 115.558 -4.270 19682 7512 1 15 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.675 0.050 19682 7513 1 15 . 1 1 66 66 PHE C C 66 176.846 176.846 175.745 1.101 19682 7514 1 15 . 1 1 66 66 PHE CA C 66 56.215 56.215 57.931 -1.716 19682 7515 1 15 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.634 -0.204 19682 7516 1 15 . 1 1 66 66 PHE H H 66 6.541 6.541 8.079 -1.538 19682 7517 1 15 . 1 1 67 67 CYS N N 67 123.228 123.228 118.115 5.113 19682 7518 1 15 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.462 0.031 19682 7519 1 15 . 1 1 67 67 CYS C C 67 174.627 174.627 175.528 -0.901 19682 7520 1 15 . 1 1 67 67 CYS CA C 67 62.136 62.136 58.843 3.292 19682 7521 1 15 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.167 3.436 19682 7522 1 15 . 1 1 67 67 CYS H H 67 7.384 7.384 7.190 0.194 19682 7523 1 15 . 1 1 68 68 LEU N N 68 119.645 119.645 120.117 -0.472 19682 7524 1 15 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.413 -0.286 19682 7525 1 15 . 1 1 68 68 LEU C C 68 174.738 174.738 175.845 -1.107 19682 7526 1 15 . 1 1 68 68 LEU CA C 68 55.011 55.011 55.216 -0.205 19682 7527 1 15 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.761 1.362 19682 7528 1 15 . 1 1 68 68 LEU H H 68 6.514 6.514 7.615 -1.101 19682 7529 1 15 . 1 1 69 69 LEU N N 69 119.803 119.803 121.007 -1.204 19682 7530 1 15 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.828 -0.145 19682 7531 1 15 . 1 1 69 69 LEU C C 69 174.879 174.879 175.371 -0.492 19682 7532 1 15 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.503 -1.286 19682 7533 1 15 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.832 1.503 19682 7534 1 15 . 1 1 69 69 LEU H H 69 8.050 8.050 8.311 -0.261 19682 7535 1 15 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.728 0.306 19682 7536 1 15 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.114 0.931 19682 7537 1 15 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.144 1.889 19682 7538 1 15 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.613 -0.165 19682 7539 1 15 . 1 1 71 71 PRO C C 71 177.632 177.632 176.746 0.886 19682 7540 1 15 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.666 0.322 19682 7541 1 15 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.372 -0.243 19682 7542 1 15 . 1 1 72 72 LEU N N 72 121.033 121.033 124.815 -3.782 19682 7543 1 15 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.550 0.096 19682 7544 1 15 . 1 1 72 72 LEU C C 72 177.983 177.983 177.603 0.380 19682 7545 1 15 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.564 -0.527 19682 7546 1 15 . 1 1 72 72 LEU CB C 72 43.384 43.384 41.383 2.001 19682 7547 1 15 . 1 1 72 72 LEU H H 72 7.660 7.660 8.340 -0.680 19682 7548 1 15 . 1 1 73 73 THR N N 73 112.645 112.645 117.976 -5.331 19682 7549 1 15 . 1 1 73 73 THR HA H 73 4.289 4.289 4.240 0.049 19682 7550 1 15 . 1 1 73 73 THR C C 73 174.305 174.305 174.093 0.212 19682 7551 1 15 . 1 1 73 73 THR CA C 73 62.324 62.324 63.440 -1.115 19682 7552 1 15 . 1 1 73 73 THR CB C 73 69.019 69.019 69.214 -0.195 19682 7553 1 15 . 1 1 73 73 THR H H 73 8.694 8.694 8.710 -0.016 19682 7554 1 15 . 1 1 74 74 SER N N 74 114.234 114.234 116.468 -2.234 19682 7555 1 15 . 1 1 74 74 SER HA H 74 4.584 4.584 4.577 0.007 19682 7556 1 15 . 1 1 74 74 SER C C 74 172.833 172.833 173.215 -0.382 19682 7557 1 15 . 1 1 74 74 SER CA C 74 56.827 56.827 57.356 -0.529 19682 7558 1 15 . 1 1 74 74 SER CB C 74 64.678 64.678 65.650 -0.972 19682 7559 1 15 . 1 1 74 74 SER H H 74 7.503 7.503 7.592 -0.089 19682 7560 1 15 . 1 1 75 75 ILE N N 75 123.720 123.720 122.423 1.297 19682 7561 1 15 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.386 -0.307 19682 7562 1 15 . 1 1 75 75 ILE C C 75 174.819 174.819 175.258 -0.439 19682 7563 1 15 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.234 -0.626 19682 7564 1 15 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.940 -0.152 19682 7565 1 15 . 1 1 75 75 ILE H H 75 8.498 8.498 8.411 0.087 19682 7566 1 15 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.394 0.014 19682 7567 1 15 . 1 1 76 76 PRO C C 76 176.339 176.339 176.394 -0.055 19682 7568 1 15 . 1 1 76 76 PRO CA C 76 63.004 63.004 63.494 -0.490 19682 7569 1 15 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.969 0.167 19682 7570 1 15 . 1 1 77 77 LYS N N 77 121.662 121.662 115.891 5.771 19682 7571 1 15 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.948 0.387 19682 7572 1 15 . 1 1 77 77 LYS C C 77 177.278 177.278 176.543 0.735 19682 7573 1 15 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.263 -0.965 19682 7574 1 15 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.648 1.129 19682 7575 1 15 . 1 1 77 77 LYS H H 77 8.516 8.516 8.217 0.299 19682 7576 1 15 . 1 1 78 78 GLY N N 78 110.250 110.250 106.583 3.667 19682 7577 1 15 . 1 1 78 78 GLY C C 78 172.995 172.995 173.154 -0.159 19682 7578 1 15 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.029 -0.482 19682 7579 1 15 . 1 1 78 78 GLY H H 78 8.150 8.150 7.752 0.398 19682 7580 1 15 . 1 1 79 79 GLU N N 79 121.820 121.820 122.027 -0.207 19682 7581 1 15 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.183 0.186 19682 7582 1 15 . 1 1 79 79 GLU C C 79 175.847 175.847 175.441 0.406 19682 7583 1 15 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.597 0.380 19682 7584 1 15 . 1 1 79 79 GLU CB C 79 30.638 30.638 28.712 1.925 19682 7585 1 15 . 1 1 79 79 GLU H H 79 8.342 8.342 8.473 -0.131 19682 7586 1 15 . 1 1 80 80 TRP N N 80 126.690 126.690 127.629 -0.939 19682 7587 1 15 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.931 -0.417 19682 7588 1 15 . 1 1 80 80 TRP C C 80 172.733 172.733 174.010 -1.277 19682 7589 1 15 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.546 3.022 19682 7590 1 15 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.500 -1.091 19682 7591 1 15 . 1 1 80 80 TRP H H 80 9.370 9.370 8.062 1.308 19682 7592 1 15 . 1 1 81 81 LEU N N 81 125.572 125.572 126.619 -1.047 19682 7593 1 15 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.181 0.840 19682 7594 1 15 . 1 1 81 81 LEU C C 81 174.617 174.617 175.209 -0.592 19682 7595 1 15 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.623 -1.189 19682 7596 1 15 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.846 1.014 19682 7597 1 15 . 1 1 81 81 LEU H H 81 6.540 6.540 7.654 -1.114 19682 7598 1 15 . 1 1 82 82 CYS N N 82 125.868 125.868 120.582 5.286 19682 7599 1 15 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.878 -0.349 19682 7600 1 15 . 1 1 82 82 CYS C C 82 172.652 172.652 175.028 -2.376 19682 7601 1 15 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.398 1.164 19682 7602 1 15 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.357 3.187 19682 7603 1 15 . 1 1 82 82 CYS H H 82 9.086 9.086 7.925 1.161 19682 7604 1 15 . 1 1 83 83 PRO HA H 83 4.068 4.068 3.948 0.120 19682 7605 1 15 . 1 1 83 83 PRO C C 83 178.541 178.541 178.706 -0.165 19682 7606 1 15 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.645 -0.378 19682 7607 1 15 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.676 0.533 19682 7608 1 15 . 1 1 84 84 ARG N N 84 117.140 117.140 118.298 -1.158 19682 7609 1 15 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.070 0.127 19682 7610 1 15 . 1 1 84 84 ARG C C 84 177.983 177.983 178.006 -0.023 19682 7611 1 15 . 1 1 84 84 ARG CA C 84 58.537 58.537 59.037 -0.500 19682 7612 1 15 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.991 0.824 19682 7613 1 15 . 1 1 84 84 ARG H H 84 8.041 8.041 8.574 -0.533 19682 7614 1 15 . 1 1 85 85 CYS N N 85 123.417 123.417 116.104 7.313 19682 7615 1 15 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.372 -0.469 19682 7616 1 15 . 1 1 85 85 CYS C C 85 177.298 177.298 176.698 0.600 19682 7617 1 15 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.726 2.442 19682 7618 1 15 . 1 1 85 85 CYS CB C 85 30.038 30.038 25.915 4.123 19682 7619 1 15 . 1 1 85 85 CYS H H 85 8.210 8.210 7.589 0.621 19682 7620 1 15 . 1 1 86 86 VAL N N 86 118.037 118.037 118.967 -0.930 19682 7621 1 15 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.753 -0.113 19682 7622 1 15 . 1 1 86 86 VAL C C 86 176.623 176.623 177.837 -1.214 19682 7623 1 15 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.713 -1.205 19682 7624 1 15 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.567 0.235 19682 7625 1 15 . 1 1 86 86 VAL H H 86 7.951 7.951 7.191 0.760 19682 7626 1 15 . 1 1 87 87 VAL N N 87 119.227 119.227 120.617 -1.390 19682 7627 1 15 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.659 0.317 19682 7628 1 15 . 1 1 87 87 VAL C C 87 176.774 176.774 177.682 -0.908 19682 7629 1 15 . 1 1 87 87 VAL CA C 87 63.182 63.182 65.936 -2.754 19682 7630 1 15 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.737 0.473 19682 7631 1 15 . 1 1 87 87 VAL H H 87 7.255 7.255 7.706 -0.451 19682 7632 1 15 . 1 1 88 88 GLU N N 88 122.469 122.469 118.410 4.059 19682 7633 1 15 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.066 0.133 19682 7634 1 15 . 1 1 88 88 GLU C C 88 176.623 176.623 176.298 0.325 19682 7635 1 15 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.747 0.203 19682 7636 1 15 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.867 0.223 19682 7637 1 15 . 1 1 88 88 GLU H H 88 7.986 7.986 7.908 0.078 19682 7638 1 15 . 1 1 89 89 GLU N N 89 121.343 121.343 117.262 4.081 19682 7639 1 15 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.104 0.085 19682 7640 1 15 . 1 1 89 89 GLU C C 89 176.744 176.744 175.082 1.662 19682 7641 1 15 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.934 0.022 19682 7642 1 15 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.590 0.322 19682 7643 1 15 . 1 1 89 89 GLU H H 89 8.168 8.168 7.448 0.720 19682 7644 1 15 . 1 1 90 90 VAL N N 90 120.127 120.127 123.774 -3.647 19682 7645 1 15 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.119 -0.035 19682 7646 1 15 . 1 1 90 90 VAL C C 90 176.290 176.290 176.073 0.217 19682 7647 1 15 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.396 0.196 19682 7648 1 15 . 1 1 90 90 VAL CB C 90 32.527 32.527 32.238 0.289 19682 7649 1 15 . 1 1 90 90 VAL H H 90 8.027 8.027 8.275 -0.248 19682 7650 1 15 . 1 1 91 91 SER N N 91 118.678 118.678 122.776 -4.098 19682 7651 1 15 . 1 1 91 91 SER HA H 91 4.439 4.439 4.409 0.030 19682 7652 1 15 . 1 1 91 91 SER C C 91 173.932 173.932 174.195 -0.263 19682 7653 1 15 . 1 1 91 91 SER CA C 91 58.189 58.189 59.156 -0.967 19682 7654 1 15 . 1 1 91 91 SER CB C 91 63.706 63.706 62.694 1.012 19682 7655 1 15 . 1 1 91 91 SER H H 91 8.222 8.222 8.426 -0.204 19682 7656 1 15 . 1 1 92 92 LYS N N 92 124.547 124.547 126.004 -1.457 19682 7657 1 15 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.868 -0.261 19682 7658 1 15 . 1 1 92 92 LYS C C 92 174.395 174.395 173.727 0.668 19682 7659 1 15 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.009 0.263 19682 7660 1 15 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.664 -0.018 19682 7661 1 15 . 1 1 92 92 LYS H H 92 8.165 8.165 8.408 -0.243 19682 7662 1 15 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.497 -0.078 19682 7663 1 15 . 1 1 93 93 PRO C C 93 176.194 176.194 176.316 -0.122 19682 7664 1 15 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.905 0.513 19682 7665 1 15 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.333 -0.437 19682 7666 1 16 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.618 0.132 19682 7667 1 16 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.318 -0.026 19682 7668 1 16 . 1 1 2 2 HIS CB C 2 30.558 30.558 28.877 1.681 19682 7669 1 16 . 1 1 2 2 HIS H H 2 8.134 8.134 8.556 -0.422 19682 7670 1 16 . 1 1 3 3 MET N N 3 123.164 123.164 123.066 0.098 19682 7671 1 16 . 1 1 3 3 MET HA H 3 4.494 4.494 4.560 -0.066 19682 7672 1 16 . 1 1 3 3 MET C C 3 176.078 176.078 176.009 0.069 19682 7673 1 16 . 1 1 3 3 MET CA C 3 55.504 55.504 55.245 0.259 19682 7674 1 16 . 1 1 3 3 MET CB C 3 32.860 32.860 33.288 -0.428 19682 7675 1 16 . 1 1 3 3 MET H H 3 8.419 8.419 8.015 0.404 19682 7676 1 16 . 1 1 4 4 SER N N 4 117.403 117.403 116.621 0.782 19682 7677 1 16 . 1 1 4 4 SER HA H 4 4.439 4.439 4.418 0.021 19682 7678 1 16 . 1 1 4 4 SER C C 4 175.011 175.011 174.753 0.258 19682 7679 1 16 . 1 1 4 4 SER CA C 4 58.516 58.516 59.064 -0.548 19682 7680 1 16 . 1 1 4 4 SER CB C 4 63.773 63.773 61.390 2.383 19682 7681 1 16 . 1 1 4 4 SER H H 4 8.416 8.416 8.136 0.280 19682 7682 1 16 . 1 1 5 5 GLY N N 5 111.174 111.174 111.606 -0.432 19682 7683 1 16 . 1 1 5 5 GLY C C 5 174.567 174.567 173.336 1.231 19682 7684 1 16 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.525 0.660 19682 7685 1 16 . 1 1 5 5 GLY H H 5 8.475 8.475 7.877 0.598 19682 7686 1 16 . 1 1 6 6 GLY N N 6 108.594 108.594 107.451 1.143 19682 7687 1 16 . 1 1 6 6 GLY C C 6 173.781 173.781 174.827 -1.046 19682 7688 1 16 . 1 1 6 6 GLY CA C 6 44.983 44.983 46.486 -1.503 19682 7689 1 16 . 1 1 6 6 GLY H H 6 8.274 8.274 9.313 -1.039 19682 7690 1 16 . 1 1 7 7 SER N N 7 116.558 116.558 115.351 1.207 19682 7691 1 16 . 1 1 7 7 SER C C 7 172.995 172.995 172.489 0.506 19682 7692 1 16 . 1 1 7 7 SER CA C 7 56.387 56.387 55.288 1.099 19682 7693 1 16 . 1 1 7 7 SER CB C 7 63.508 63.508 64.157 -0.649 19682 7694 1 16 . 1 1 7 7 SER H H 7 8.220 8.220 8.025 0.195 19682 7695 1 16 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.528 -0.074 19682 7696 1 16 . 1 1 8 8 PRO C C 8 176.864 176.864 175.773 1.091 19682 7697 1 16 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.784 0.565 19682 7698 1 16 . 1 1 8 8 PRO CB C 8 32.010 32.010 30.648 1.362 19682 7699 1 16 . 1 1 9 9 LEU N N 9 121.497 121.497 122.264 -0.767 19682 7700 1 16 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.791 -0.487 19682 7701 1 16 . 1 1 9 9 LEU C C 9 177.237 177.237 176.267 0.970 19682 7702 1 16 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.672 0.351 19682 7703 1 16 . 1 1 9 9 LEU CB C 9 42.353 42.353 42.224 0.129 19682 7704 1 16 . 1 1 9 9 LEU H H 9 8.196 8.196 7.971 0.225 19682 7705 1 16 . 1 1 10 10 ALA N N 10 124.964 124.964 126.376 -1.412 19682 7706 1 16 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.615 -0.213 19682 7707 1 16 . 1 1 10 10 ALA C C 10 177.812 177.812 175.798 2.014 19682 7708 1 16 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.022 0.386 19682 7709 1 16 . 1 1 10 10 ALA CB C 10 19.238 19.238 19.837 -0.599 19682 7710 1 16 . 1 1 10 10 ALA H H 10 8.242 8.242 8.456 -0.214 19682 7711 1 16 . 1 1 11 11 THR N N 11 112.852 112.852 113.684 -0.832 19682 7712 1 16 . 1 1 11 11 THR HA H 11 4.341 4.341 4.960 -0.619 19682 7713 1 16 . 1 1 11 11 THR C C 11 175.181 175.181 173.959 1.222 19682 7714 1 16 . 1 1 11 11 THR CA C 11 61.870 61.870 63.134 -1.264 19682 7715 1 16 . 1 1 11 11 THR CB C 11 69.622 69.622 70.282 -0.660 19682 7716 1 16 . 1 1 11 11 THR H H 11 8.081 8.081 10.355 -2.275 19682 7717 1 16 . 1 1 12 12 GLY N N 12 110.929 110.929 110.678 0.251 19682 7718 1 16 . 1 1 12 12 GLY C C 12 174.395 174.395 172.996 1.399 19682 7719 1 16 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.793 0.583 19682 7720 1 16 . 1 1 12 12 GLY H H 12 8.408 8.408 9.031 -0.623 19682 7721 1 16 . 1 1 13 13 THR N N 13 113.482 113.482 114.821 -1.339 19682 7722 1 16 . 1 1 13 13 THR HA H 13 4.445 4.445 4.518 -0.073 19682 7723 1 16 . 1 1 13 13 THR C C 13 174.889 174.889 173.655 1.234 19682 7724 1 16 . 1 1 13 13 THR CA C 13 61.816 61.816 61.020 0.796 19682 7725 1 16 . 1 1 13 13 THR CB C 13 69.812 69.812 69.926 -0.114 19682 7726 1 16 . 1 1 13 13 THR H H 13 8.130 8.130 8.095 0.035 19682 7727 1 16 . 1 1 14 14 THR N N 14 116.080 116.080 120.479 -4.399 19682 7728 1 16 . 1 1 14 14 THR HA H 14 4.370 4.370 4.585 -0.215 19682 7729 1 16 . 1 1 14 14 THR C C 14 174.385 174.385 172.911 1.474 19682 7730 1 16 . 1 1 14 14 THR CA C 14 61.788 61.788 62.905 -1.117 19682 7731 1 16 . 1 1 14 14 THR CB C 14 69.696 69.696 69.284 0.412 19682 7732 1 16 . 1 1 14 14 THR H H 14 8.199 8.199 8.292 -0.093 19682 7733 1 16 . 1 1 15 15 ALA N N 15 126.054 126.054 126.919 -0.865 19682 7734 1 16 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.483 -0.182 19682 7735 1 16 . 1 1 15 15 ALA C C 15 177.469 177.469 176.269 1.200 19682 7736 1 16 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.904 0.942 19682 7737 1 16 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.316 -0.132 19682 7738 1 16 . 1 1 15 15 ALA H H 15 8.349 8.349 8.224 0.125 19682 7739 1 16 . 1 1 16 16 ASN N N 16 117.718 117.718 118.441 -0.723 19682 7740 1 16 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.730 0.014 19682 7741 1 16 . 1 1 16 16 ASN C C 16 175.575 175.575 174.026 1.549 19682 7742 1 16 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.067 0.130 19682 7743 1 16 . 1 1 16 16 ASN CB C 16 38.732 38.732 38.952 -0.220 19682 7744 1 16 . 1 1 16 16 ASN H H 16 8.403 8.403 8.549 -0.146 19682 7745 1 16 . 1 1 17 17 THR N N 17 114.153 114.153 118.690 -4.537 19682 7746 1 16 . 1 1 17 17 THR HA H 17 4.312 4.312 4.504 -0.192 19682 7747 1 16 . 1 1 17 17 THR C C 17 174.799 174.799 174.463 0.336 19682 7748 1 16 . 1 1 17 17 THR CA C 17 61.973 61.973 63.572 -1.599 19682 7749 1 16 . 1 1 17 17 THR CB C 17 69.624 69.624 68.793 0.831 19682 7750 1 16 . 1 1 17 17 THR H H 17 8.081 8.081 8.177 -0.096 19682 7751 1 16 . 1 1 18 18 ARG N N 18 122.990 122.990 123.798 -0.808 19682 7752 1 16 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.625 -0.300 19682 7753 1 16 . 1 1 18 18 ARG C C 18 176.875 176.875 174.890 1.985 19682 7754 1 16 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.117 1.434 19682 7755 1 16 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.145 -0.558 19682 7756 1 16 . 1 1 18 18 ARG H H 18 8.351 8.351 8.635 -0.284 19682 7757 1 16 . 1 1 19 19 GLY N N 19 109.993 109.993 108.255 1.738 19682 7758 1 16 . 1 1 19 19 GLY C C 19 174.002 174.002 173.587 0.415 19682 7759 1 16 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.830 0.484 19682 7760 1 16 . 1 1 19 19 GLY H H 19 8.394 8.394 9.120 -0.726 19682 7761 1 16 . 1 1 20 20 ALA N N 20 123.732 123.732 126.349 -2.617 19682 7762 1 16 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.471 -0.129 19682 7763 1 16 . 1 1 20 20 ALA C C 20 178.034 178.034 176.641 1.393 19682 7764 1 16 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.108 0.543 19682 7765 1 16 . 1 1 20 20 ALA CB C 20 19.221 19.221 20.279 -1.058 19682 7766 1 16 . 1 1 20 20 ALA H H 20 8.185 8.185 8.163 0.022 19682 7767 1 16 . 1 1 21 21 SER N N 21 114.750 114.750 117.441 -2.691 19682 7768 1 16 . 1 1 21 21 SER HA H 21 4.419 4.419 4.591 -0.172 19682 7769 1 16 . 1 1 21 21 SER C C 21 174.627 174.627 172.995 1.632 19682 7770 1 16 . 1 1 21 21 SER CA C 21 58.495 58.495 58.939 -0.444 19682 7771 1 16 . 1 1 21 21 SER CB C 21 63.697 63.697 63.920 -0.223 19682 7772 1 16 . 1 1 21 21 SER H H 21 8.319 8.319 8.247 0.072 19682 7773 1 16 . 1 1 22 22 GLN N N 22 122.092 122.092 123.953 -1.861 19682 7774 1 16 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.463 -0.119 19682 7775 1 16 . 1 1 22 22 GLN C C 22 175.857 175.857 174.393 1.464 19682 7776 1 16 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.861 -1.086 19682 7777 1 16 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.955 0.443 19682 7778 1 16 . 1 1 22 22 GLN H H 22 8.343 8.343 8.519 -0.176 19682 7779 1 16 . 1 1 23 23 LYS N N 23 122.663 122.663 123.542 -0.879 19682 7780 1 16 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.836 -0.539 19682 7781 1 16 . 1 1 23 23 LYS C C 23 176.502 176.502 175.143 1.359 19682 7782 1 16 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.168 0.147 19682 7783 1 16 . 1 1 23 23 LYS CB C 23 33.048 33.048 34.557 -1.510 19682 7784 1 16 . 1 1 23 23 LYS H H 23 8.309 8.309 8.500 -0.191 19682 7785 1 16 . 1 1 24 24 LYS N N 24 123.434 123.434 119.306 4.128 19682 7786 1 16 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.921 -0.595 19682 7787 1 16 . 1 1 24 24 LYS C C 24 177.026 177.026 175.270 1.756 19682 7788 1 16 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.359 1.000 19682 7789 1 16 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.949 -0.956 19682 7790 1 16 . 1 1 24 24 LYS H H 24 8.469 8.469 8.798 -0.329 19682 7791 1 16 . 1 1 25 25 GLY N N 25 110.813 110.813 107.478 3.335 19682 7792 1 16 . 1 1 25 25 GLY C C 25 174.476 174.476 174.674 -0.198 19682 7793 1 16 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.841 0.433 19682 7794 1 16 . 1 1 25 25 GLY H H 25 8.531 8.531 9.300 -0.769 19682 7795 1 16 . 1 1 26 26 GLY N N 26 108.690 108.690 109.176 -0.486 19682 7796 1 16 . 1 1 26 26 GLY C C 26 173.851 173.851 173.937 -0.086 19682 7797 1 16 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.116 -0.047 19682 7798 1 16 . 1 1 26 26 GLY H H 26 8.279 8.279 8.768 -0.489 19682 7799 1 16 . 1 1 27 27 GLU N N 27 121.707 121.707 122.105 -0.398 19682 7800 1 16 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.799 -0.215 19682 7801 1 16 . 1 1 27 27 GLU C C 27 174.204 174.204 175.074 -0.870 19682 7802 1 16 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.572 -0.132 19682 7803 1 16 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.519 -1.082 19682 7804 1 16 . 1 1 27 27 GLU H H 27 8.321 8.321 8.519 -0.198 19682 7805 1 16 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.841 -0.447 19682 7806 1 16 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.121 1.690 19682 7807 1 16 . 1 1 28 28 PRO CB C 28 32.158 32.158 32.010 0.149 19682 7808 1 16 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.376 0.021 19682 7809 1 16 . 1 1 29 29 PRO C C 29 176.462 176.462 176.064 0.398 19682 7810 1 16 . 1 1 29 29 PRO CA C 29 62.844 62.844 63.048 -0.204 19682 7811 1 16 . 1 1 29 29 PRO CB C 29 31.961 31.961 30.655 1.306 19682 7812 1 16 . 1 1 30 30 ALA N N 30 123.850 123.850 128.165 -4.315 19682 7813 1 16 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.402 -0.128 19682 7814 1 16 . 1 1 30 30 ALA C C 30 177.368 177.368 176.988 0.380 19682 7815 1 16 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.657 0.600 19682 7816 1 16 . 1 1 30 30 ALA CB C 30 19.237 19.237 17.988 1.249 19682 7817 1 16 . 1 1 30 30 ALA H H 30 8.290 8.290 8.157 0.133 19682 7818 1 16 . 1 1 31 31 LEU N N 31 121.430 121.430 121.809 -0.379 19682 7819 1 16 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.040 0.293 19682 7820 1 16 . 1 1 31 31 LEU C C 31 176.804 176.804 176.264 0.540 19682 7821 1 16 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.630 0.385 19682 7822 1 16 . 1 1 31 31 LEU CB C 31 42.444 42.444 41.002 1.442 19682 7823 1 16 . 1 1 31 31 LEU H H 31 8.139 8.139 7.835 0.304 19682 7824 1 16 . 1 1 32 32 ILE N N 32 123.070 123.070 124.887 -1.817 19682 7825 1 16 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.036 0.132 19682 7826 1 16 . 1 1 32 32 ILE C C 32 175.887 175.887 177.089 -1.202 19682 7827 1 16 . 1 1 32 32 ILE CA C 32 60.690 60.690 62.045 -1.355 19682 7828 1 16 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.241 1.236 19682 7829 1 16 . 1 1 32 32 ILE H H 32 8.140 8.140 8.510 -0.370 19682 7830 1 16 . 1 1 33 33 VAL N N 33 124.923 124.923 122.821 2.102 19682 7831 1 16 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.279 -0.192 19682 7832 1 16 . 1 1 33 33 VAL C C 33 175.232 175.232 175.242 -0.010 19682 7833 1 16 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.419 -0.568 19682 7834 1 16 . 1 1 33 33 VAL CB C 33 32.920 32.920 32.627 0.293 19682 7835 1 16 . 1 1 33 33 VAL H H 33 8.198 8.198 7.992 0.206 19682 7836 1 16 . 1 1 34 34 ASP N N 34 125.813 125.813 116.775 9.038 19682 7837 1 16 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.893 -0.033 19682 7838 1 16 . 1 1 34 34 ASP C C 34 174.919 174.919 174.986 -0.067 19682 7839 1 16 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.137 -0.211 19682 7840 1 16 . 1 1 34 34 ASP CB C 34 41.504 41.504 40.434 1.070 19682 7841 1 16 . 1 1 34 34 ASP H H 34 8.336 8.336 8.034 0.302 19682 7842 1 16 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.396 -0.032 19682 7843 1 16 . 1 1 35 35 PRO C C 35 177.091 177.091 176.693 0.398 19682 7844 1 16 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.956 -0.442 19682 7845 1 16 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.092 0.081 19682 7846 1 16 . 1 1 36 36 LEU N N 36 119.977 119.977 120.948 -0.971 19682 7847 1 16 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.589 -0.333 19682 7848 1 16 . 1 1 36 36 LEU C C 36 177.479 177.479 175.006 2.473 19682 7849 1 16 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.690 0.536 19682 7850 1 16 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.089 -0.454 19682 7851 1 16 . 1 1 36 36 LEU H H 36 8.316 8.316 7.482 0.834 19682 7852 1 16 . 1 1 37 37 MET N N 37 120.231 120.231 118.740 1.491 19682 7853 1 16 . 1 1 37 37 MET HA H 37 4.326 4.326 4.285 0.041 19682 7854 1 16 . 1 1 37 37 MET C C 37 175.171 175.171 174.271 0.900 19682 7855 1 16 . 1 1 37 37 MET CA C 37 55.160 55.160 54.769 0.391 19682 7856 1 16 . 1 1 37 37 MET CB C 37 32.514 32.514 33.586 -1.071 19682 7857 1 16 . 1 1 37 37 MET H H 37 7.893 7.893 7.803 0.090 19682 7858 1 16 . 1 1 38 38 LYS N N 38 122.361 122.361 117.963 4.398 19682 7859 1 16 . 1 1 38 38 LYS HA H 38 4.160 4.160 3.953 0.207 19682 7860 1 16 . 1 1 38 38 LYS C C 38 175.837 175.837 174.952 0.885 19682 7861 1 16 . 1 1 38 38 LYS CA C 38 56.105 56.105 56.328 -0.223 19682 7862 1 16 . 1 1 38 38 LYS CB C 38 33.214 33.214 30.814 2.400 19682 7863 1 16 . 1 1 38 38 LYS H H 38 7.929 7.929 8.027 -0.098 19682 7864 1 16 . 1 1 39 39 TYR N N 39 120.347 120.347 118.644 1.703 19682 7865 1 16 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.297 0.273 19682 7866 1 16 . 1 1 39 39 TYR C C 39 174.325 174.325 175.690 -1.365 19682 7867 1 16 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.063 -0.639 19682 7868 1 16 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.200 1.409 19682 7869 1 16 . 1 1 39 39 TYR H H 39 8.020 8.020 7.842 0.178 19682 7870 1 16 . 1 1 40 40 ILE N N 40 119.688 119.688 123.188 -3.500 19682 7871 1 16 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.175 -0.200 19682 7872 1 16 . 1 1 40 40 ILE C C 40 175.181 175.181 175.797 -0.616 19682 7873 1 16 . 1 1 40 40 ILE CA C 40 58.580 58.580 60.772 -2.192 19682 7874 1 16 . 1 1 40 40 ILE CB C 40 39.694 39.694 38.657 1.038 19682 7875 1 16 . 1 1 40 40 ILE H H 40 8.000 8.000 8.042 -0.042 19682 7876 1 16 . 1 1 41 41 CYS N N 41 129.049 129.049 127.293 1.756 19682 7877 1 16 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.508 -0.536 19682 7878 1 16 . 1 1 41 41 CYS C C 41 177.197 177.197 176.271 0.926 19682 7879 1 16 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.415 0.642 19682 7880 1 16 . 1 1 41 41 CYS CB C 41 31.374 31.374 27.377 3.997 19682 7881 1 16 . 1 1 41 41 CYS H H 41 7.990 7.990 8.375 -0.385 19682 7882 1 16 . 1 1 42 42 HIS N N 42 127.633 127.633 127.371 0.262 19682 7883 1 16 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.277 -0.145 19682 7884 1 16 . 1 1 42 42 HIS C C 42 174.385 174.385 175.177 -0.792 19682 7885 1 16 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.981 0.010 19682 7886 1 16 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.691 -0.991 19682 7887 1 16 . 1 1 42 42 HIS H H 42 8.933 8.933 8.499 0.434 19682 7888 1 16 . 1 1 43 43 ILE N N 43 119.482 119.482 116.475 3.007 19682 7889 1 16 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.009 0.156 19682 7890 1 16 . 1 1 43 43 ILE C C 43 176.673 176.673 176.606 0.067 19682 7891 1 16 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.053 0.069 19682 7892 1 16 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.554 -1.220 19682 7893 1 16 . 1 1 43 43 ILE H H 43 8.944 8.944 7.269 1.675 19682 7894 1 16 . 1 1 44 44 CYS N N 44 117.996 117.996 116.339 1.657 19682 7895 1 16 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.663 0.221 19682 7896 1 16 . 1 1 44 44 CYS C C 44 176.008 176.008 176.096 -0.088 19682 7897 1 16 . 1 1 44 44 CYS CA C 44 59.001 59.001 58.911 0.090 19682 7898 1 16 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.764 2.291 19682 7899 1 16 . 1 1 44 44 CYS H H 44 8.221 8.221 8.205 0.016 19682 7900 1 16 . 1 1 45 45 ASN N N 45 117.410 117.410 118.510 -1.100 19682 7901 1 16 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.466 -0.079 19682 7902 1 16 . 1 1 45 45 ASN C C 45 173.893 173.893 174.273 -0.380 19682 7903 1 16 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.791 -0.777 19682 7904 1 16 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.416 0.438 19682 7905 1 16 . 1 1 45 45 ASN H H 45 8.040 8.040 8.493 -0.453 19682 7906 1 16 . 1 1 46 46 ARG N N 46 117.127 117.127 123.542 -6.415 19682 7907 1 16 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.491 0.229 19682 7908 1 16 . 1 1 46 46 ARG C C 46 176.865 176.865 176.260 0.605 19682 7909 1 16 . 1 1 46 46 ARG CA C 46 55.427 55.427 55.393 0.034 19682 7910 1 16 . 1 1 46 46 ARG CB C 46 34.152 34.152 30.562 3.590 19682 7911 1 16 . 1 1 46 46 ARG H H 46 8.201 8.201 7.763 0.438 19682 7912 1 16 . 1 1 47 47 GLY N N 47 109.334 109.334 114.755 -5.421 19682 7913 1 16 . 1 1 47 47 GLY C C 47 173.670 173.670 174.132 -0.462 19682 7914 1 16 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.510 0.507 19682 7915 1 16 . 1 1 47 47 GLY H H 47 8.902 8.902 8.951 -0.049 19682 7916 1 16 . 1 1 48 48 ASP N N 48 117.908 117.908 124.221 -6.313 19682 7917 1 16 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.436 0.264 19682 7918 1 16 . 1 1 48 48 ASP C C 48 173.871 173.871 177.022 -3.151 19682 7919 1 16 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.757 -4.348 19682 7920 1 16 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.165 -0.306 19682 7921 1 16 . 1 1 48 48 ASP H H 48 8.046 8.046 7.883 0.163 19682 7922 1 16 . 1 1 49 49 VAL N N 49 117.921 117.921 120.576 -2.655 19682 7923 1 16 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.290 -0.587 19682 7924 1 16 . 1 1 49 49 VAL C C 49 177.096 177.096 176.702 0.394 19682 7925 1 16 . 1 1 49 49 VAL CA C 49 62.491 62.491 61.799 0.692 19682 7926 1 16 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.253 -0.830 19682 7927 1 16 . 1 1 49 49 VAL H H 49 8.772 8.772 7.932 0.840 19682 7928 1 16 . 1 1 50 50 GLU N N 50 120.434 120.434 125.904 -5.470 19682 7929 1 16 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.208 -0.376 19682 7930 1 16 . 1 1 50 50 GLU C C 50 178.779 178.779 177.796 0.983 19682 7931 1 16 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.811 1.109 19682 7932 1 16 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.802 -0.666 19682 7933 1 16 . 1 1 50 50 GLU H H 50 9.047 9.047 8.083 0.964 19682 7934 1 16 . 1 1 51 51 GLU N N 51 119.158 119.158 118.935 0.223 19682 7935 1 16 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.179 0.128 19682 7936 1 16 . 1 1 51 51 GLU C C 51 177.358 177.358 177.432 -0.074 19682 7937 1 16 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.603 -0.347 19682 7938 1 16 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.207 -0.983 19682 7939 1 16 . 1 1 51 51 GLU H H 51 9.822 9.822 8.808 1.014 19682 7940 1 16 . 1 1 52 52 SER N N 52 116.430 116.430 113.291 3.139 19682 7941 1 16 . 1 1 52 52 SER HA H 52 4.716 4.716 4.622 0.094 19682 7942 1 16 . 1 1 52 52 SER C C 52 172.309 172.309 173.744 -1.435 19682 7943 1 16 . 1 1 52 52 SER CA C 52 57.745 57.745 58.593 -0.848 19682 7944 1 16 . 1 1 52 52 SER CB C 52 64.494 64.494 64.343 0.151 19682 7945 1 16 . 1 1 52 52 SER H H 52 8.291 8.291 7.828 0.463 19682 7946 1 16 . 1 1 53 53 MET N N 53 121.812 121.812 124.083 -2.271 19682 7947 1 16 . 1 1 53 53 MET HA H 53 4.577 4.577 4.534 0.043 19682 7948 1 16 . 1 1 53 53 MET C C 53 174.385 174.385 175.423 -1.038 19682 7949 1 16 . 1 1 53 53 MET CA C 53 54.784 54.784 55.691 -0.906 19682 7950 1 16 . 1 1 53 53 MET CB C 53 33.410 33.410 32.672 0.738 19682 7951 1 16 . 1 1 53 53 MET H H 53 7.648 7.648 7.315 0.333 19682 7952 1 16 . 1 1 54 54 LEU N N 54 128.167 128.167 128.536 -0.369 19682 7953 1 16 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.569 -0.321 19682 7954 1 16 . 1 1 54 54 LEU C C 54 175.111 175.111 175.814 -0.703 19682 7955 1 16 . 1 1 54 54 LEU CA C 54 53.623 53.623 54.036 -0.413 19682 7956 1 16 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.891 0.868 19682 7957 1 16 . 1 1 54 54 LEU H H 54 9.007 9.007 8.816 0.191 19682 7958 1 16 . 1 1 55 55 LEU N N 55 122.173 122.173 123.569 -1.396 19682 7959 1 16 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.557 0.248 19682 7960 1 16 . 1 1 55 55 LEU C C 55 176.260 176.260 176.301 -0.041 19682 7961 1 16 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.478 -0.231 19682 7962 1 16 . 1 1 55 55 LEU CB C 55 43.273 43.273 42.950 0.323 19682 7963 1 16 . 1 1 55 55 LEU H H 55 8.139 8.139 8.275 -0.136 19682 7964 1 16 . 1 1 56 56 CYS N N 56 126.541 126.541 127.910 -1.369 19682 7965 1 16 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.743 -0.017 19682 7966 1 16 . 1 1 56 56 CYS C C 56 177.671 177.671 176.101 1.570 19682 7967 1 16 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.314 1.906 19682 7968 1 16 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.469 4.614 19682 7969 1 16 . 1 1 56 56 CYS H H 56 8.996 8.996 8.349 0.647 19682 7970 1 16 . 1 1 57 57 ASP N N 57 130.338 130.338 129.262 1.076 19682 7971 1 16 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.408 0.259 19682 7972 1 16 . 1 1 57 57 ASP C C 57 176.159 176.159 177.030 -0.871 19682 7973 1 16 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.614 0.843 19682 7974 1 16 . 1 1 57 57 ASP CB C 57 42.201 42.201 40.807 1.394 19682 7975 1 16 . 1 1 57 57 ASP H H 57 9.373 9.373 8.445 0.928 19682 7976 1 16 . 1 1 58 58 GLY N N 58 114.137 114.137 106.556 7.581 19682 7977 1 16 . 1 1 58 58 GLY C C 58 174.801 174.801 173.440 1.361 19682 7978 1 16 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.540 1.442 19682 7979 1 16 . 1 1 58 58 GLY H H 58 10.023 10.023 8.242 1.781 19682 7980 1 16 . 1 1 59 59 CYS N N 59 120.775 120.775 117.965 2.810 19682 7981 1 16 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.609 0.282 19682 7982 1 16 . 1 1 59 59 CYS C C 59 175.564 175.564 172.510 3.054 19682 7983 1 16 . 1 1 59 59 CYS CA C 59 58.741 58.741 58.153 0.588 19682 7984 1 16 . 1 1 59 59 CYS CB C 59 33.079 33.079 30.337 2.742 19682 7985 1 16 . 1 1 59 59 CYS H H 59 8.132 8.132 7.387 0.745 19682 7986 1 16 . 1 1 60 60 ASP N N 60 119.232 119.232 120.918 -1.686 19682 7987 1 16 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.646 0.043 19682 7988 1 16 . 1 1 60 60 ASP C C 60 174.738 174.738 175.426 -0.688 19682 7989 1 16 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.224 2.241 19682 7990 1 16 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.280 -0.239 19682 7991 1 16 . 1 1 60 60 ASP H H 60 8.085 8.085 8.486 -0.401 19682 7992 1 16 . 1 1 61 61 ASP N N 61 121.704 121.704 120.057 1.647 19682 7993 1 16 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.739 0.110 19682 7994 1 16 . 1 1 61 61 ASP C C 61 175.454 175.454 175.158 0.296 19682 7995 1 16 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.233 1.260 19682 7996 1 16 . 1 1 61 61 ASP CB C 61 42.194 42.194 42.712 -0.518 19682 7997 1 16 . 1 1 61 61 ASP H H 61 8.703 8.703 7.891 0.812 19682 7998 1 16 . 1 1 62 62 SER N N 62 113.381 113.381 115.564 -2.183 19682 7999 1 16 . 1 1 62 62 SER HA H 62 5.703 5.703 5.356 0.347 19682 8000 1 16 . 1 1 62 62 SER C C 62 173.821 173.821 173.005 0.816 19682 8001 1 16 . 1 1 62 62 SER CA C 62 56.165 56.165 57.178 -1.013 19682 8002 1 16 . 1 1 62 62 SER CB C 62 65.275 65.275 65.507 -0.232 19682 8003 1 16 . 1 1 62 62 SER H H 62 8.313 8.313 8.460 -0.147 19682 8004 1 16 . 1 1 63 63 TYR N N 63 120.467 120.467 122.250 -1.783 19682 8005 1 16 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.683 0.668 19682 8006 1 16 . 1 1 63 63 TYR C C 63 175.393 175.393 174.946 0.447 19682 8007 1 16 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.603 0.084 19682 8008 1 16 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.675 1.651 19682 8009 1 16 . 1 1 63 63 TYR H H 63 8.815 8.815 8.834 -0.019 19682 8010 1 16 . 1 1 64 64 HIS N N 64 121.957 121.957 119.519 2.438 19682 8011 1 16 . 1 1 64 64 HIS HA H 64 4.850 4.850 5.076 -0.226 19682 8012 1 16 . 1 1 64 64 HIS C C 64 178.559 178.559 177.466 1.093 19682 8013 1 16 . 1 1 64 64 HIS CA C 64 57.490 57.490 54.973 2.517 19682 8014 1 16 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.977 0.059 19682 8015 1 16 . 1 1 64 64 HIS H H 64 9.276 9.276 8.065 1.211 19682 8016 1 16 . 1 1 65 65 THR N N 65 113.100 113.100 114.728 -1.628 19682 8017 1 16 . 1 1 65 65 THR HA H 65 3.603 3.603 3.836 -0.233 19682 8018 1 16 . 1 1 65 65 THR C C 65 176.824 176.824 174.839 1.985 19682 8019 1 16 . 1 1 65 65 THR CA C 65 64.805 64.805 66.204 -1.399 19682 8020 1 16 . 1 1 65 65 THR CB C 65 66.441 66.441 68.998 -2.557 19682 8021 1 16 . 1 1 65 65 THR H H 65 8.832 8.832 8.304 0.528 19682 8022 1 16 . 1 1 66 66 PHE N N 66 111.288 111.288 113.143 -1.855 19682 8023 1 16 . 1 1 66 66 PHE HA H 66 4.725 4.725 5.076 -0.351 19682 8024 1 16 . 1 1 66 66 PHE C C 66 176.846 176.846 174.771 2.075 19682 8025 1 16 . 1 1 66 66 PHE CA C 66 56.215 56.215 54.676 1.539 19682 8026 1 16 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.108 0.321 19682 8027 1 16 . 1 1 66 66 PHE H H 66 6.541 6.541 7.823 -1.282 19682 8028 1 16 . 1 1 67 67 CYS N N 67 123.228 123.228 118.232 4.996 19682 8029 1 16 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.555 -0.062 19682 8030 1 16 . 1 1 67 67 CYS C C 67 174.627 174.627 174.582 0.045 19682 8031 1 16 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.276 2.860 19682 8032 1 16 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.264 3.340 19682 8033 1 16 . 1 1 67 67 CYS H H 67 7.384 7.384 7.557 -0.173 19682 8034 1 16 . 1 1 68 68 LEU N N 68 119.645 119.645 120.289 -0.644 19682 8035 1 16 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.587 -0.460 19682 8036 1 16 . 1 1 68 68 LEU C C 68 174.738 174.738 175.349 -0.611 19682 8037 1 16 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.445 1.566 19682 8038 1 16 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.493 -0.370 19682 8039 1 16 . 1 1 68 68 LEU H H 68 6.514 6.514 7.472 -0.958 19682 8040 1 16 . 1 1 69 69 LEU N N 69 119.803 119.803 121.766 -1.963 19682 8041 1 16 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.753 -0.070 19682 8042 1 16 . 1 1 69 69 LEU C C 69 174.879 174.879 175.388 -0.509 19682 8043 1 16 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.685 -1.468 19682 8044 1 16 . 1 1 69 69 LEU CB C 69 44.335 44.335 43.366 0.969 19682 8045 1 16 . 1 1 69 69 LEU H H 69 8.050 8.050 8.335 -0.285 19682 8046 1 16 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.805 0.229 19682 8047 1 16 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.415 0.630 19682 8048 1 16 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.367 1.666 19682 8049 1 16 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.451 -0.003 19682 8050 1 16 . 1 1 71 71 PRO C C 71 177.632 177.632 176.940 0.692 19682 8051 1 16 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.170 0.818 19682 8052 1 16 . 1 1 71 71 PRO CB C 71 32.129 32.129 33.051 -0.922 19682 8053 1 16 . 1 1 72 72 LEU N N 72 121.033 121.033 123.550 -2.517 19682 8054 1 16 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.318 0.328 19682 8055 1 16 . 1 1 72 72 LEU C C 72 177.983 177.983 177.006 0.977 19682 8056 1 16 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.542 -0.505 19682 8057 1 16 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.481 3.903 19682 8058 1 16 . 1 1 72 72 LEU H H 72 7.660 7.660 8.272 -0.612 19682 8059 1 16 . 1 1 73 73 THR N N 73 112.645 112.645 115.018 -2.373 19682 8060 1 16 . 1 1 73 73 THR HA H 73 4.289 4.289 4.127 0.162 19682 8061 1 16 . 1 1 73 73 THR C C 73 174.305 174.305 175.241 -0.936 19682 8062 1 16 . 1 1 73 73 THR CA C 73 62.324 62.324 63.792 -1.468 19682 8063 1 16 . 1 1 73 73 THR CB C 73 69.019 69.019 69.109 -0.090 19682 8064 1 16 . 1 1 73 73 THR H H 73 8.694 8.694 7.789 0.905 19682 8065 1 16 . 1 1 74 74 SER N N 74 114.234 114.234 116.724 -2.490 19682 8066 1 16 . 1 1 74 74 SER HA H 74 4.584 4.584 4.587 -0.003 19682 8067 1 16 . 1 1 74 74 SER C C 74 172.833 172.833 173.806 -0.973 19682 8068 1 16 . 1 1 74 74 SER CA C 74 56.827 56.827 57.471 -0.644 19682 8069 1 16 . 1 1 74 74 SER CB C 74 64.678 64.678 65.103 -0.425 19682 8070 1 16 . 1 1 74 74 SER H H 74 7.503 7.503 7.855 -0.352 19682 8071 1 16 . 1 1 75 75 ILE N N 75 123.720 123.720 126.663 -2.943 19682 8072 1 16 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.107 -0.028 19682 8073 1 16 . 1 1 75 75 ILE C C 75 174.819 174.819 175.590 -0.771 19682 8074 1 16 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.817 -1.209 19682 8075 1 16 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.425 0.363 19682 8076 1 16 . 1 1 75 75 ILE H H 75 8.498 8.498 8.429 0.069 19682 8077 1 16 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.515 -0.107 19682 8078 1 16 . 1 1 76 76 PRO C C 76 176.339 176.339 177.083 -0.744 19682 8079 1 16 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.278 0.726 19682 8080 1 16 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.508 -0.372 19682 8081 1 16 . 1 1 77 77 LYS N N 77 121.662 121.662 120.508 1.154 19682 8082 1 16 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.289 0.046 19682 8083 1 16 . 1 1 77 77 LYS C C 77 177.278 177.278 177.192 0.086 19682 8084 1 16 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.368 -0.070 19682 8085 1 16 . 1 1 77 77 LYS CB C 77 32.777 32.777 30.826 1.951 19682 8086 1 16 . 1 1 77 77 LYS H H 77 8.516 8.516 8.555 -0.039 19682 8087 1 16 . 1 1 78 78 GLY N N 78 110.250 110.250 114.398 -4.148 19682 8088 1 16 . 1 1 78 78 GLY C C 78 172.995 172.995 174.456 -1.461 19682 8089 1 16 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.991 -1.445 19682 8090 1 16 . 1 1 78 78 GLY H H 78 8.150 8.150 8.234 -0.084 19682 8091 1 16 . 1 1 79 79 GLU N N 79 121.820 121.820 123.913 -2.093 19682 8092 1 16 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.411 -0.042 19682 8093 1 16 . 1 1 79 79 GLU C C 79 175.847 175.847 175.709 0.138 19682 8094 1 16 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.620 0.357 19682 8095 1 16 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.150 0.488 19682 8096 1 16 . 1 1 79 79 GLU H H 79 8.342 8.342 8.272 0.070 19682 8097 1 16 . 1 1 80 80 TRP N N 80 126.690 126.690 123.392 3.298 19682 8098 1 16 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.845 -0.331 19682 8099 1 16 . 1 1 80 80 TRP C C 80 172.733 172.733 174.261 -1.528 19682 8100 1 16 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.840 2.728 19682 8101 1 16 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.861 -1.452 19682 8102 1 16 . 1 1 80 80 TRP H H 80 9.370 9.370 8.309 1.061 19682 8103 1 16 . 1 1 81 81 LEU N N 81 125.572 125.572 128.311 -2.739 19682 8104 1 16 . 1 1 81 81 LEU HA H 81 5.021 5.021 3.993 1.028 19682 8105 1 16 . 1 1 81 81 LEU C C 81 174.617 174.617 175.541 -0.924 19682 8106 1 16 . 1 1 81 81 LEU CA C 81 51.434 51.434 54.324 -2.890 19682 8107 1 16 . 1 1 81 81 LEU CB C 81 44.860 44.860 41.390 3.470 19682 8108 1 16 . 1 1 81 81 LEU H H 81 6.540 6.540 7.975 -1.435 19682 8109 1 16 . 1 1 82 82 CYS N N 82 125.868 125.868 121.202 4.666 19682 8110 1 16 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.409 0.120 19682 8111 1 16 . 1 1 82 82 CYS C C 82 172.652 172.652 174.968 -2.316 19682 8112 1 16 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.615 0.947 19682 8113 1 16 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.253 3.291 19682 8114 1 16 . 1 1 82 82 CYS H H 82 9.086 9.086 7.859 1.227 19682 8115 1 16 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.003 0.065 19682 8116 1 16 . 1 1 83 83 PRO C C 83 178.541 178.541 178.393 0.148 19682 8117 1 16 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.346 -0.079 19682 8118 1 16 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.675 0.534 19682 8119 1 16 . 1 1 84 84 ARG N N 84 117.140 117.140 118.142 -1.002 19682 8120 1 16 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.084 0.113 19682 8121 1 16 . 1 1 84 84 ARG C C 84 177.983 177.983 178.678 -0.695 19682 8122 1 16 . 1 1 84 84 ARG CA C 84 58.537 58.537 59.176 -0.639 19682 8123 1 16 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.676 1.139 19682 8124 1 16 . 1 1 84 84 ARG H H 84 8.041 8.041 8.507 -0.466 19682 8125 1 16 . 1 1 85 85 CYS N N 85 123.417 123.417 117.239 6.178 19682 8126 1 16 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.199 -0.296 19682 8127 1 16 . 1 1 85 85 CYS C C 85 177.298 177.298 177.186 0.112 19682 8128 1 16 . 1 1 85 85 CYS CA C 85 64.168 64.168 62.002 2.166 19682 8129 1 16 . 1 1 85 85 CYS CB C 85 30.038 30.038 25.820 4.218 19682 8130 1 16 . 1 1 85 85 CYS H H 85 8.210 8.210 7.630 0.580 19682 8131 1 16 . 1 1 86 86 VAL N N 86 118.037 118.037 120.141 -2.104 19682 8132 1 16 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.796 -0.156 19682 8133 1 16 . 1 1 86 86 VAL C C 86 176.623 176.623 177.532 -0.909 19682 8134 1 16 . 1 1 86 86 VAL CA C 86 64.508 64.508 64.894 -0.386 19682 8135 1 16 . 1 1 86 86 VAL CB C 86 31.802 31.802 30.969 0.833 19682 8136 1 16 . 1 1 86 86 VAL H H 86 7.951 7.951 7.220 0.731 19682 8137 1 16 . 1 1 87 87 VAL N N 87 119.227 119.227 118.081 1.146 19682 8138 1 16 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.795 0.181 19682 8139 1 16 . 1 1 87 87 VAL C C 87 176.774 176.774 176.862 -0.088 19682 8140 1 16 . 1 1 87 87 VAL CA C 87 63.182 63.182 64.899 -1.717 19682 8141 1 16 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.514 0.696 19682 8142 1 16 . 1 1 87 87 VAL H H 87 7.255 7.255 7.771 -0.516 19682 8143 1 16 . 1 1 88 88 GLU N N 88 122.469 122.469 119.286 3.183 19682 8144 1 16 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.348 -0.149 19682 8145 1 16 . 1 1 88 88 GLU C C 88 176.623 176.623 175.448 1.175 19682 8146 1 16 . 1 1 88 88 GLU CA C 88 56.950 56.950 55.793 1.157 19682 8147 1 16 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.387 -0.297 19682 8148 1 16 . 1 1 88 88 GLU H H 88 7.986 7.986 7.494 0.492 19682 8149 1 16 . 1 1 89 89 GLU N N 89 121.343 121.343 121.691 -0.348 19682 8150 1 16 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.155 0.034 19682 8151 1 16 . 1 1 89 89 GLU C C 89 176.744 176.744 176.309 0.435 19682 8152 1 16 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.338 0.618 19682 8153 1 16 . 1 1 89 89 GLU CB C 89 29.912 29.912 30.095 -0.183 19682 8154 1 16 . 1 1 89 89 GLU H H 89 8.168 8.168 8.455 -0.287 19682 8155 1 16 . 1 1 90 90 VAL N N 90 120.127 120.127 120.514 -0.387 19682 8156 1 16 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.819 0.265 19682 8157 1 16 . 1 1 90 90 VAL C C 90 176.290 176.290 174.450 1.840 19682 8158 1 16 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.989 -0.397 19682 8159 1 16 . 1 1 90 90 VAL CB C 90 32.527 32.527 30.657 1.870 19682 8160 1 16 . 1 1 90 90 VAL H H 90 8.027 8.027 8.250 -0.223 19682 8161 1 16 . 1 1 91 91 SER N N 91 118.678 118.678 117.184 1.494 19682 8162 1 16 . 1 1 91 91 SER HA H 91 4.439 4.439 4.796 -0.357 19682 8163 1 16 . 1 1 91 91 SER C C 91 173.932 173.932 172.634 1.298 19682 8164 1 16 . 1 1 91 91 SER CA C 91 58.189 58.189 57.485 0.704 19682 8165 1 16 . 1 1 91 91 SER CB C 91 63.706 63.706 65.020 -1.314 19682 8166 1 16 . 1 1 91 91 SER H H 91 8.222 8.222 7.683 0.539 19682 8167 1 16 . 1 1 92 92 LYS N N 92 124.547 124.547 122.955 1.592 19682 8168 1 16 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.722 -0.115 19682 8169 1 16 . 1 1 92 92 LYS C C 92 174.395 174.395 174.380 0.015 19682 8170 1 16 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.544 0.729 19682 8171 1 16 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.602 0.044 19682 8172 1 16 . 1 1 92 92 LYS H H 92 8.165 8.165 8.304 -0.139 19682 8173 1 16 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.601 -0.182 19682 8174 1 16 . 1 1 93 93 PRO C C 93 176.194 176.194 175.942 0.252 19682 8175 1 16 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.624 0.794 19682 8176 1 16 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.742 -0.846 19682 8177 1 17 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.527 0.223 19682 8178 1 17 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.597 -0.305 19682 8179 1 17 . 1 1 2 2 HIS CB C 2 30.558 30.558 29.916 0.642 19682 8180 1 17 . 1 1 2 2 HIS H H 2 8.134 8.134 8.596 -0.462 19682 8181 1 17 . 1 1 3 3 MET N N 3 123.164 123.164 125.712 -2.548 19682 8182 1 17 . 1 1 3 3 MET HA H 3 4.494 4.494 4.472 0.022 19682 8183 1 17 . 1 1 3 3 MET C C 3 176.078 176.078 176.682 -0.604 19682 8184 1 17 . 1 1 3 3 MET CA C 3 55.504 55.504 54.416 1.088 19682 8185 1 17 . 1 1 3 3 MET CB C 3 32.860 32.860 33.813 -0.953 19682 8186 1 17 . 1 1 3 3 MET H H 3 8.419 8.419 8.535 -0.116 19682 8187 1 17 . 1 1 4 4 SER N N 4 117.403 117.403 117.476 -0.073 19682 8188 1 17 . 1 1 4 4 SER HA H 4 4.439 4.439 4.214 0.225 19682 8189 1 17 . 1 1 4 4 SER C C 4 175.011 175.011 175.660 -0.649 19682 8190 1 17 . 1 1 4 4 SER CA C 4 58.516 58.516 58.891 -0.375 19682 8191 1 17 . 1 1 4 4 SER CB C 4 63.773 63.773 61.827 1.946 19682 8192 1 17 . 1 1 4 4 SER H H 4 8.416 8.416 8.504 -0.088 19682 8193 1 17 . 1 1 5 5 GLY N N 5 111.174 111.174 113.363 -2.189 19682 8194 1 17 . 1 1 5 5 GLY C C 5 174.567 174.567 174.680 -0.113 19682 8195 1 17 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.432 -0.247 19682 8196 1 17 . 1 1 5 5 GLY H H 5 8.475 8.475 8.389 0.086 19682 8197 1 17 . 1 1 6 6 GLY N N 6 108.594 108.594 112.241 -3.647 19682 8198 1 17 . 1 1 6 6 GLY C C 6 173.781 173.781 173.009 0.772 19682 8199 1 17 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.782 0.201 19682 8200 1 17 . 1 1 6 6 GLY H H 6 8.274 8.274 8.174 0.100 19682 8201 1 17 . 1 1 7 7 SER N N 7 116.558 116.558 116.024 0.534 19682 8202 1 17 . 1 1 7 7 SER C C 7 172.995 172.995 172.190 0.805 19682 8203 1 17 . 1 1 7 7 SER CA C 7 56.387 56.387 57.035 -0.648 19682 8204 1 17 . 1 1 7 7 SER CB C 7 63.508 63.508 64.083 -0.575 19682 8205 1 17 . 1 1 7 7 SER H H 7 8.220 8.220 8.286 -0.066 19682 8206 1 17 . 1 1 8 8 PRO HA H 8 4.454 4.454 5.055 -0.601 19682 8207 1 17 . 1 1 8 8 PRO C C 8 176.864 176.864 175.692 1.172 19682 8208 1 17 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.798 0.551 19682 8209 1 17 . 1 1 8 8 PRO CB C 8 32.010 32.010 31.833 0.177 19682 8210 1 17 . 1 1 9 9 LEU N N 9 121.497 121.497 116.925 4.572 19682 8211 1 17 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.680 -0.376 19682 8212 1 17 . 1 1 9 9 LEU C C 9 177.237 177.237 175.198 2.039 19682 8213 1 17 . 1 1 9 9 LEU CA C 9 55.023 55.023 53.347 1.676 19682 8214 1 17 . 1 1 9 9 LEU CB C 9 42.353 42.353 42.859 -0.506 19682 8215 1 17 . 1 1 9 9 LEU H H 9 8.196 8.196 8.003 0.193 19682 8216 1 17 . 1 1 10 10 ALA N N 10 124.964 124.964 122.929 2.035 19682 8217 1 17 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.759 -0.357 19682 8218 1 17 . 1 1 10 10 ALA C C 10 177.812 177.812 177.802 0.010 19682 8219 1 17 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.328 0.080 19682 8220 1 17 . 1 1 10 10 ALA CB C 10 19.238 19.238 20.198 -0.959 19682 8221 1 17 . 1 1 10 10 ALA H H 10 8.242 8.242 8.321 -0.079 19682 8222 1 17 . 1 1 11 11 THR N N 11 112.852 112.852 115.813 -2.961 19682 8223 1 17 . 1 1 11 11 THR HA H 11 4.341 4.341 4.268 0.073 19682 8224 1 17 . 1 1 11 11 THR C C 11 175.181 175.181 175.887 -0.706 19682 8225 1 17 . 1 1 11 11 THR CA C 11 61.870 61.870 63.029 -1.159 19682 8226 1 17 . 1 1 11 11 THR CB C 11 69.622 69.622 68.967 0.655 19682 8227 1 17 . 1 1 11 11 THR H H 11 8.081 8.081 8.364 -0.283 19682 8228 1 17 . 1 1 12 12 GLY N N 12 110.929 110.929 113.383 -2.454 19682 8229 1 17 . 1 1 12 12 GLY C C 12 174.395 174.395 173.442 0.953 19682 8230 1 17 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.002 0.374 19682 8231 1 17 . 1 1 12 12 GLY H H 12 8.408 8.408 8.345 0.063 19682 8232 1 17 . 1 1 13 13 THR N N 13 113.482 113.482 116.382 -2.900 19682 8233 1 17 . 1 1 13 13 THR HA H 13 4.445 4.445 4.411 0.034 19682 8234 1 17 . 1 1 13 13 THR C C 13 174.889 174.889 173.260 1.629 19682 8235 1 17 . 1 1 13 13 THR CA C 13 61.816 61.816 62.298 -0.482 19682 8236 1 17 . 1 1 13 13 THR CB C 13 69.812 69.812 70.193 -0.381 19682 8237 1 17 . 1 1 13 13 THR H H 13 8.130 8.130 7.672 0.458 19682 8238 1 17 . 1 1 14 14 THR N N 14 116.080 116.080 119.159 -3.079 19682 8239 1 17 . 1 1 14 14 THR HA H 14 4.370 4.370 4.595 -0.225 19682 8240 1 17 . 1 1 14 14 THR C C 14 174.385 174.385 174.479 -0.094 19682 8241 1 17 . 1 1 14 14 THR CA C 14 61.788 61.788 61.154 0.634 19682 8242 1 17 . 1 1 14 14 THR CB C 14 69.696 69.696 70.393 -0.697 19682 8243 1 17 . 1 1 14 14 THR H H 14 8.199 8.199 8.079 0.120 19682 8244 1 17 . 1 1 15 15 ALA N N 15 126.054 126.054 129.035 -2.981 19682 8245 1 17 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.351 -0.050 19682 8246 1 17 . 1 1 15 15 ALA C C 15 177.469 177.469 176.466 1.003 19682 8247 1 17 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.201 0.645 19682 8248 1 17 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.181 1.003 19682 8249 1 17 . 1 1 15 15 ALA H H 15 8.349 8.349 8.442 -0.093 19682 8250 1 17 . 1 1 16 16 ASN N N 16 117.718 117.718 121.177 -3.459 19682 8251 1 17 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.953 -0.209 19682 8252 1 17 . 1 1 16 16 ASN C C 16 175.575 175.575 174.644 0.931 19682 8253 1 17 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.304 -0.108 19682 8254 1 17 . 1 1 16 16 ASN CB C 16 38.732 38.732 40.105 -1.373 19682 8255 1 17 . 1 1 16 16 ASN H H 16 8.403 8.403 8.283 0.120 19682 8256 1 17 . 1 1 17 17 THR N N 17 114.153 114.153 115.898 -1.745 19682 8257 1 17 . 1 1 17 17 THR HA H 17 4.312 4.312 4.437 -0.125 19682 8258 1 17 . 1 1 17 17 THR C C 17 174.799 174.799 173.604 1.195 19682 8259 1 17 . 1 1 17 17 THR CA C 17 61.973 61.973 61.670 0.303 19682 8260 1 17 . 1 1 17 17 THR CB C 17 69.624 69.624 69.602 0.022 19682 8261 1 17 . 1 1 17 17 THR H H 17 8.081 8.081 8.312 -0.231 19682 8262 1 17 . 1 1 18 18 ARG N N 18 122.990 122.990 123.545 -0.555 19682 8263 1 17 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.634 -0.309 19682 8264 1 17 . 1 1 18 18 ARG C C 18 176.875 176.875 175.558 1.317 19682 8265 1 17 . 1 1 18 18 ARG CA C 18 56.551 56.551 56.431 0.120 19682 8266 1 17 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.070 -0.483 19682 8267 1 17 . 1 1 18 18 ARG H H 18 8.351 8.351 8.568 -0.217 19682 8268 1 17 . 1 1 19 19 GLY N N 19 109.993 109.993 111.246 -1.253 19682 8269 1 17 . 1 1 19 19 GLY C C 19 174.002 174.002 174.081 -0.079 19682 8270 1 17 . 1 1 19 19 GLY CA C 19 45.314 45.314 45.135 0.180 19682 8271 1 17 . 1 1 19 19 GLY H H 19 8.394 8.394 8.613 -0.219 19682 8272 1 17 . 1 1 20 20 ALA N N 20 123.732 123.732 123.996 -0.264 19682 8273 1 17 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.631 -0.289 19682 8274 1 17 . 1 1 20 20 ALA C C 20 178.034 178.034 177.259 0.775 19682 8275 1 17 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.199 0.451 19682 8276 1 17 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.278 -0.057 19682 8277 1 17 . 1 1 20 20 ALA H H 20 8.185 8.185 7.964 0.221 19682 8278 1 17 . 1 1 21 21 SER N N 21 114.750 114.750 118.371 -3.621 19682 8279 1 17 . 1 1 21 21 SER HA H 21 4.419 4.419 4.579 -0.160 19682 8280 1 17 . 1 1 21 21 SER C C 21 174.627 174.627 173.844 0.783 19682 8281 1 17 . 1 1 21 21 SER CA C 21 58.495 58.495 57.723 0.772 19682 8282 1 17 . 1 1 21 21 SER CB C 21 63.697 63.697 64.823 -1.126 19682 8283 1 17 . 1 1 21 21 SER H H 21 8.319 8.319 8.326 -0.007 19682 8284 1 17 . 1 1 22 22 GLN N N 22 122.092 122.092 121.528 0.564 19682 8285 1 17 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.508 -0.164 19682 8286 1 17 . 1 1 22 22 GLN C C 22 175.857 175.857 174.765 1.092 19682 8287 1 17 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.561 0.214 19682 8288 1 17 . 1 1 22 22 GLN CB C 22 29.398 29.398 29.608 -0.210 19682 8289 1 17 . 1 1 22 22 GLN H H 22 8.343 8.343 8.553 -0.210 19682 8290 1 17 . 1 1 23 23 LYS N N 23 122.663 122.663 121.966 0.697 19682 8291 1 17 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.533 -0.236 19682 8292 1 17 . 1 1 23 23 LYS C C 23 176.502 176.502 176.463 0.039 19682 8293 1 17 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.076 0.239 19682 8294 1 17 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.962 0.086 19682 8295 1 17 . 1 1 23 23 LYS H H 23 8.309 8.309 8.315 -0.006 19682 8296 1 17 . 1 1 24 24 LYS N N 24 123.434 123.434 124.426 -0.992 19682 8297 1 17 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.453 -0.127 19682 8298 1 17 . 1 1 24 24 LYS C C 24 177.026 177.026 177.274 -0.248 19682 8299 1 17 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.696 0.663 19682 8300 1 17 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.431 -0.438 19682 8301 1 17 . 1 1 24 24 LYS H H 24 8.469 8.469 8.403 0.066 19682 8302 1 17 . 1 1 25 25 GLY N N 25 110.813 110.813 110.038 0.775 19682 8303 1 17 . 1 1 25 25 GLY C C 25 174.476 174.476 175.100 -0.624 19682 8304 1 17 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.988 0.286 19682 8305 1 17 . 1 1 25 25 GLY H H 25 8.531 8.531 8.613 -0.082 19682 8306 1 17 . 1 1 26 26 GLY N N 26 108.690 108.690 109.224 -0.534 19682 8307 1 17 . 1 1 26 26 GLY C C 26 173.851 173.851 174.086 -0.235 19682 8308 1 17 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.177 -0.108 19682 8309 1 17 . 1 1 26 26 GLY H H 26 8.279 8.279 8.262 0.017 19682 8310 1 17 . 1 1 27 27 GLU N N 27 121.707 121.707 120.704 1.003 19682 8311 1 17 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.509 0.075 19682 8312 1 17 . 1 1 27 27 GLU C C 27 174.204 174.204 175.026 -0.822 19682 8313 1 17 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.295 0.145 19682 8314 1 17 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.239 -0.802 19682 8315 1 17 . 1 1 27 27 GLU H H 27 8.321 8.321 8.302 0.019 19682 8316 1 17 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.710 -0.316 19682 8317 1 17 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.776 1.035 19682 8318 1 17 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.269 0.889 19682 8319 1 17 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.385 0.012 19682 8320 1 17 . 1 1 29 29 PRO C C 29 176.462 176.462 176.891 -0.429 19682 8321 1 17 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.588 0.256 19682 8322 1 17 . 1 1 29 29 PRO CB C 29 31.961 31.961 32.354 -0.393 19682 8323 1 17 . 1 1 30 30 ALA N N 30 123.850 123.850 122.998 0.852 19682 8324 1 17 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.217 0.057 19682 8325 1 17 . 1 1 30 30 ALA C C 30 177.368 177.368 177.721 -0.353 19682 8326 1 17 . 1 1 30 30 ALA CA C 30 52.257 52.257 51.930 0.327 19682 8327 1 17 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.326 -0.089 19682 8328 1 17 . 1 1 30 30 ALA H H 30 8.290 8.290 8.035 0.255 19682 8329 1 17 . 1 1 31 31 LEU N N 31 121.430 121.430 121.550 -0.120 19682 8330 1 17 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.147 0.185 19682 8331 1 17 . 1 1 31 31 LEU C C 31 176.804 176.804 178.087 -1.283 19682 8332 1 17 . 1 1 31 31 LEU CA C 31 55.015 55.015 55.366 -0.351 19682 8333 1 17 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.133 0.311 19682 8334 1 17 . 1 1 31 31 LEU H H 31 8.139 8.139 8.095 0.044 19682 8335 1 17 . 1 1 32 32 ILE N N 32 123.070 123.070 114.380 8.690 19682 8336 1 17 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.818 0.350 19682 8337 1 17 . 1 1 32 32 ILE C C 32 175.887 175.887 175.999 -0.112 19682 8338 1 17 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.683 -0.993 19682 8339 1 17 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.247 2.230 19682 8340 1 17 . 1 1 32 32 ILE H H 32 8.140 8.140 8.633 -0.493 19682 8341 1 17 . 1 1 33 33 VAL N N 33 124.923 124.923 118.060 6.863 19682 8342 1 17 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.253 -0.166 19682 8343 1 17 . 1 1 33 33 VAL C C 33 175.232 175.232 175.050 0.182 19682 8344 1 17 . 1 1 33 33 VAL CA C 33 61.851 61.851 61.778 0.073 19682 8345 1 17 . 1 1 33 33 VAL CB C 33 32.920 32.920 30.068 2.852 19682 8346 1 17 . 1 1 33 33 VAL H H 33 8.198 8.198 7.927 0.271 19682 8347 1 17 . 1 1 34 34 ASP N N 34 125.813 125.813 127.379 -1.566 19682 8348 1 17 . 1 1 34 34 ASP HA H 34 4.860 4.860 5.002 -0.142 19682 8349 1 17 . 1 1 34 34 ASP C C 34 174.919 174.919 175.088 -0.169 19682 8350 1 17 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.822 -0.896 19682 8351 1 17 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.595 -0.091 19682 8352 1 17 . 1 1 34 34 ASP H H 34 8.336 8.336 7.709 0.627 19682 8353 1 17 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.378 -0.014 19682 8354 1 17 . 1 1 35 35 PRO C C 35 177.091 177.091 177.411 -0.320 19682 8355 1 17 . 1 1 35 35 PRO CA C 35 63.514 63.514 64.174 -0.660 19682 8356 1 17 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.349 -0.176 19682 8357 1 17 . 1 1 36 36 LEU N N 36 119.977 119.977 118.688 1.289 19682 8358 1 17 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.408 -0.152 19682 8359 1 17 . 1 1 36 36 LEU C C 36 177.479 177.479 177.239 0.240 19682 8360 1 17 . 1 1 36 36 LEU CA C 36 55.226 55.226 55.341 -0.115 19682 8361 1 17 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.686 -0.051 19682 8362 1 17 . 1 1 36 36 LEU H H 36 8.316 8.316 7.893 0.423 19682 8363 1 17 . 1 1 37 37 MET N N 37 120.231 120.231 117.084 3.147 19682 8364 1 17 . 1 1 37 37 MET HA H 37 4.326 4.326 4.318 0.008 19682 8365 1 17 . 1 1 37 37 MET C C 37 175.171 175.171 175.800 -0.629 19682 8366 1 17 . 1 1 37 37 MET CA C 37 55.160 55.160 54.450 0.710 19682 8367 1 17 . 1 1 37 37 MET CB C 37 32.514 32.514 31.630 0.884 19682 8368 1 17 . 1 1 37 37 MET H H 37 7.893 7.893 7.850 0.043 19682 8369 1 17 . 1 1 38 38 LYS N N 38 122.361 122.361 121.085 1.276 19682 8370 1 17 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.155 0.005 19682 8371 1 17 . 1 1 38 38 LYS C C 38 175.837 175.837 176.267 -0.430 19682 8372 1 17 . 1 1 38 38 LYS CA C 38 56.105 56.105 56.398 -0.293 19682 8373 1 17 . 1 1 38 38 LYS CB C 38 33.214 33.214 33.016 0.198 19682 8374 1 17 . 1 1 38 38 LYS H H 38 7.929 7.929 7.462 0.467 19682 8375 1 17 . 1 1 39 39 TYR N N 39 120.347 120.347 124.458 -4.111 19682 8376 1 17 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.278 0.292 19682 8377 1 17 . 1 1 39 39 TYR C C 39 174.325 174.325 175.637 -1.312 19682 8378 1 17 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.968 -1.544 19682 8379 1 17 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.596 1.013 19682 8380 1 17 . 1 1 39 39 TYR H H 39 8.020 8.020 8.578 -0.558 19682 8381 1 17 . 1 1 40 40 ILE N N 40 119.688 119.688 123.418 -3.730 19682 8382 1 17 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.125 -0.150 19682 8383 1 17 . 1 1 40 40 ILE C C 40 175.181 175.181 175.227 -0.046 19682 8384 1 17 . 1 1 40 40 ILE CA C 40 58.580 58.580 58.705 -0.125 19682 8385 1 17 . 1 1 40 40 ILE CB C 40 39.694 39.694 39.376 0.319 19682 8386 1 17 . 1 1 40 40 ILE H H 40 8.000 8.000 8.025 -0.025 19682 8387 1 17 . 1 1 41 41 CYS N N 41 129.049 129.049 126.785 2.264 19682 8388 1 17 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.405 -0.433 19682 8389 1 17 . 1 1 41 41 CYS C C 41 177.197 177.197 176.085 1.112 19682 8390 1 17 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.416 0.641 19682 8391 1 17 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.499 5.875 19682 8392 1 17 . 1 1 41 41 CYS H H 41 7.990 7.990 8.349 -0.359 19682 8393 1 17 . 1 1 42 42 HIS N N 42 127.633 127.633 129.234 -1.601 19682 8394 1 17 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.107 0.025 19682 8395 1 17 . 1 1 42 42 HIS C C 42 174.385 174.385 176.883 -2.498 19682 8396 1 17 . 1 1 42 42 HIS CA C 42 57.991 57.991 59.703 -1.712 19682 8397 1 17 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.939 -1.239 19682 8398 1 17 . 1 1 42 42 HIS H H 42 8.933 8.933 8.139 0.794 19682 8399 1 17 . 1 1 43 43 ILE N N 43 119.482 119.482 118.506 0.976 19682 8400 1 17 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.927 0.238 19682 8401 1 17 . 1 1 43 43 ILE C C 43 176.673 176.673 177.071 -0.398 19682 8402 1 17 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.773 -1.651 19682 8403 1 17 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.172 0.162 19682 8404 1 17 . 1 1 43 43 ILE H H 43 8.944 8.944 8.405 0.539 19682 8405 1 17 . 1 1 44 44 CYS N N 44 117.996 117.996 116.804 1.192 19682 8406 1 17 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.565 0.319 19682 8407 1 17 . 1 1 44 44 CYS C C 44 176.008 176.008 175.386 0.622 19682 8408 1 17 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.371 -0.370 19682 8409 1 17 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.887 3.168 19682 8410 1 17 . 1 1 44 44 CYS H H 44 8.221 8.221 7.836 0.385 19682 8411 1 17 . 1 1 45 45 ASN N N 45 117.410 117.410 115.808 1.602 19682 8412 1 17 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.342 0.045 19682 8413 1 17 . 1 1 45 45 ASN C C 45 173.893 173.893 174.088 -0.195 19682 8414 1 17 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.465 0.549 19682 8415 1 17 . 1 1 45 45 ASN CB C 45 37.854 37.854 38.048 -0.194 19682 8416 1 17 . 1 1 45 45 ASN H H 45 8.040 8.040 8.403 -0.363 19682 8417 1 17 . 1 1 46 46 ARG N N 46 117.127 117.127 118.189 -1.062 19682 8418 1 17 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.638 0.082 19682 8419 1 17 . 1 1 46 46 ARG C C 46 176.865 176.865 175.655 1.210 19682 8420 1 17 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.722 0.705 19682 8421 1 17 . 1 1 46 46 ARG CB C 46 34.152 34.152 33.669 0.483 19682 8422 1 17 . 1 1 46 46 ARG H H 46 8.201 8.201 7.424 0.777 19682 8423 1 17 . 1 1 47 47 GLY N N 47 109.334 109.334 109.754 -0.420 19682 8424 1 17 . 1 1 47 47 GLY C C 47 173.670 173.670 174.412 -0.742 19682 8425 1 17 . 1 1 47 47 GLY CA C 47 45.017 45.017 45.101 -0.084 19682 8426 1 17 . 1 1 47 47 GLY H H 47 8.902 8.902 8.716 0.186 19682 8427 1 17 . 1 1 48 48 ASP N N 48 117.908 117.908 120.745 -2.837 19682 8428 1 17 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.469 0.231 19682 8429 1 17 . 1 1 48 48 ASP C C 48 173.871 173.871 177.367 -3.496 19682 8430 1 17 . 1 1 48 48 ASP CA C 48 52.409 52.409 56.194 -3.785 19682 8431 1 17 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.203 -0.344 19682 8432 1 17 . 1 1 48 48 ASP H H 48 8.046 8.046 8.304 -0.258 19682 8433 1 17 . 1 1 49 49 VAL N N 49 117.921 117.921 121.196 -3.275 19682 8434 1 17 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.221 -0.518 19682 8435 1 17 . 1 1 49 49 VAL C C 49 177.096 177.096 175.827 1.269 19682 8436 1 17 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.313 0.178 19682 8437 1 17 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.604 -1.181 19682 8438 1 17 . 1 1 49 49 VAL H H 49 8.772 8.772 8.141 0.631 19682 8439 1 17 . 1 1 50 50 GLU N N 50 120.434 120.434 122.556 -2.122 19682 8440 1 17 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.207 -0.375 19682 8441 1 17 . 1 1 50 50 GLU C C 50 178.779 178.779 177.771 1.008 19682 8442 1 17 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.611 1.309 19682 8443 1 17 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.862 -0.725 19682 8444 1 17 . 1 1 50 50 GLU H H 50 9.047 9.047 7.968 1.079 19682 8445 1 17 . 1 1 51 51 GLU N N 51 119.158 119.158 118.180 0.978 19682 8446 1 17 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.118 0.189 19682 8447 1 17 . 1 1 51 51 GLU C C 51 177.358 177.358 177.237 0.121 19682 8448 1 17 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.205 0.051 19682 8449 1 17 . 1 1 51 51 GLU CB C 51 28.225 28.225 28.922 -0.697 19682 8450 1 17 . 1 1 51 51 GLU H H 51 9.822 9.822 8.802 1.020 19682 8451 1 17 . 1 1 52 52 SER N N 52 116.430 116.430 114.950 1.480 19682 8452 1 17 . 1 1 52 52 SER HA H 52 4.716 4.716 4.694 0.022 19682 8453 1 17 . 1 1 52 52 SER C C 52 172.309 172.309 173.159 -0.850 19682 8454 1 17 . 1 1 52 52 SER CA C 52 57.745 57.745 57.310 0.435 19682 8455 1 17 . 1 1 52 52 SER CB C 52 64.494 64.494 64.159 0.335 19682 8456 1 17 . 1 1 52 52 SER H H 52 8.291 8.291 7.639 0.652 19682 8457 1 17 . 1 1 53 53 MET N N 53 121.812 121.812 119.309 2.503 19682 8458 1 17 . 1 1 53 53 MET HA H 53 4.577 4.577 4.934 -0.357 19682 8459 1 17 . 1 1 53 53 MET C C 53 174.385 174.385 175.272 -0.887 19682 8460 1 17 . 1 1 53 53 MET CA C 53 54.784 54.784 55.001 -0.217 19682 8461 1 17 . 1 1 53 53 MET CB C 53 33.410 33.410 33.834 -0.424 19682 8462 1 17 . 1 1 53 53 MET H H 53 7.648 7.648 7.326 0.322 19682 8463 1 17 . 1 1 54 54 LEU N N 54 128.167 128.167 124.025 4.142 19682 8464 1 17 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.621 -0.373 19682 8465 1 17 . 1 1 54 54 LEU C C 54 175.111 175.111 175.637 -0.526 19682 8466 1 17 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.705 -0.082 19682 8467 1 17 . 1 1 54 54 LEU CB C 54 43.759 43.759 44.546 -0.787 19682 8468 1 17 . 1 1 54 54 LEU H H 54 9.007 9.007 8.627 0.380 19682 8469 1 17 . 1 1 55 55 LEU N N 55 122.173 122.173 124.022 -1.849 19682 8470 1 17 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.814 -0.009 19682 8471 1 17 . 1 1 55 55 LEU C C 55 176.260 176.260 176.241 0.019 19682 8472 1 17 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.857 -0.610 19682 8473 1 17 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.356 -0.083 19682 8474 1 17 . 1 1 55 55 LEU H H 55 8.139 8.139 8.185 -0.046 19682 8475 1 17 . 1 1 56 56 CYS N N 56 126.541 126.541 128.356 -1.815 19682 8476 1 17 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.362 0.364 19682 8477 1 17 . 1 1 56 56 CYS C C 56 177.671 177.671 176.416 1.255 19682 8478 1 17 . 1 1 56 56 CYS CA C 56 60.220 60.220 59.055 1.165 19682 8479 1 17 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.313 4.770 19682 8480 1 17 . 1 1 56 56 CYS H H 56 8.996 8.996 8.855 0.141 19682 8481 1 17 . 1 1 57 57 ASP N N 57 130.338 130.338 129.152 1.186 19682 8482 1 17 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.527 0.140 19682 8483 1 17 . 1 1 57 57 ASP C C 57 176.159 176.159 177.253 -1.094 19682 8484 1 17 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.404 1.053 19682 8485 1 17 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.156 1.045 19682 8486 1 17 . 1 1 57 57 ASP H H 57 9.373 9.373 8.506 0.867 19682 8487 1 17 . 1 1 58 58 GLY N N 58 114.137 114.137 105.693 8.444 19682 8488 1 17 . 1 1 58 58 GLY C C 58 174.801 174.801 173.583 1.218 19682 8489 1 17 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.870 1.113 19682 8490 1 17 . 1 1 58 58 GLY H H 58 10.023 10.023 8.462 1.561 19682 8491 1 17 . 1 1 59 59 CYS N N 59 120.775 120.775 116.068 4.707 19682 8492 1 17 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.711 0.180 19682 8493 1 17 . 1 1 59 59 CYS C C 59 175.564 175.564 173.076 2.488 19682 8494 1 17 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.688 1.053 19682 8495 1 17 . 1 1 59 59 CYS CB C 59 33.079 33.079 28.765 4.314 19682 8496 1 17 . 1 1 59 59 CYS H H 59 8.132 8.132 7.369 0.763 19682 8497 1 17 . 1 1 60 60 ASP N N 60 119.232 119.232 119.514 -0.282 19682 8498 1 17 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.864 -0.175 19682 8499 1 17 . 1 1 60 60 ASP C C 60 174.738 174.738 175.578 -0.840 19682 8500 1 17 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.465 2.000 19682 8501 1 17 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.670 -0.629 19682 8502 1 17 . 1 1 60 60 ASP H H 60 8.085 8.085 8.544 -0.459 19682 8503 1 17 . 1 1 61 61 ASP N N 61 121.704 121.704 120.518 1.186 19682 8504 1 17 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.779 0.070 19682 8505 1 17 . 1 1 61 61 ASP C C 61 175.454 175.454 174.926 0.528 19682 8506 1 17 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.368 1.125 19682 8507 1 17 . 1 1 61 61 ASP CB C 61 42.194 42.194 42.849 -0.655 19682 8508 1 17 . 1 1 61 61 ASP H H 61 8.703 8.703 7.698 1.005 19682 8509 1 17 . 1 1 62 62 SER N N 62 113.381 113.381 117.515 -4.134 19682 8510 1 17 . 1 1 62 62 SER HA H 62 5.703 5.703 5.033 0.670 19682 8511 1 17 . 1 1 62 62 SER C C 62 173.821 173.821 172.910 0.911 19682 8512 1 17 . 1 1 62 62 SER CA C 62 56.165 56.165 57.518 -1.353 19682 8513 1 17 . 1 1 62 62 SER CB C 62 65.275 65.275 64.443 0.832 19682 8514 1 17 . 1 1 62 62 SER H H 62 8.313 8.313 8.639 -0.326 19682 8515 1 17 . 1 1 63 63 TYR N N 63 120.467 120.467 124.758 -4.291 19682 8516 1 17 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.740 0.611 19682 8517 1 17 . 1 1 63 63 TYR C C 63 175.393 175.393 175.260 0.133 19682 8518 1 17 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.672 0.014 19682 8519 1 17 . 1 1 63 63 TYR CB C 63 44.326 44.326 41.739 2.587 19682 8520 1 17 . 1 1 63 63 TYR H H 63 8.815 8.815 8.923 -0.108 19682 8521 1 17 . 1 1 64 64 HIS N N 64 121.957 121.957 124.593 -2.636 19682 8522 1 17 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.614 0.236 19682 8523 1 17 . 1 1 64 64 HIS C C 64 178.559 178.559 176.999 1.560 19682 8524 1 17 . 1 1 64 64 HIS CA C 64 57.490 57.490 56.873 0.617 19682 8525 1 17 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.207 0.829 19682 8526 1 17 . 1 1 64 64 HIS H H 64 9.276 9.276 7.994 1.282 19682 8527 1 17 . 1 1 65 65 THR N N 65 113.100 113.100 114.969 -1.869 19682 8528 1 17 . 1 1 65 65 THR HA H 65 3.603 3.603 3.881 -0.278 19682 8529 1 17 . 1 1 65 65 THR C C 65 176.824 176.824 176.400 0.424 19682 8530 1 17 . 1 1 65 65 THR CA C 65 64.805 64.805 65.910 -1.105 19682 8531 1 17 . 1 1 65 65 THR CB C 65 66.441 66.441 68.964 -2.523 19682 8532 1 17 . 1 1 65 65 THR H H 65 8.832 8.832 8.236 0.596 19682 8533 1 17 . 1 1 66 66 PHE N N 66 111.288 111.288 117.623 -6.335 19682 8534 1 17 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.647 0.078 19682 8535 1 17 . 1 1 66 66 PHE C C 66 176.846 176.846 176.719 0.127 19682 8536 1 17 . 1 1 66 66 PHE CA C 66 56.215 56.215 58.852 -2.638 19682 8537 1 17 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.446 -0.016 19682 8538 1 17 . 1 1 66 66 PHE H H 66 6.541 6.541 7.916 -1.375 19682 8539 1 17 . 1 1 67 67 CYS N N 67 123.228 123.228 117.132 6.096 19682 8540 1 17 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.441 0.052 19682 8541 1 17 . 1 1 67 67 CYS C C 67 174.627 174.627 175.287 -0.660 19682 8542 1 17 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.673 2.463 19682 8543 1 17 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.044 4.559 19682 8544 1 17 . 1 1 67 67 CYS H H 67 7.384 7.384 7.762 -0.378 19682 8545 1 17 . 1 1 68 68 LEU N N 68 119.645 119.645 120.011 -0.366 19682 8546 1 17 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.528 -0.401 19682 8547 1 17 . 1 1 68 68 LEU C C 68 174.738 174.738 175.196 -0.458 19682 8548 1 17 . 1 1 68 68 LEU CA C 68 55.011 55.011 53.662 1.349 19682 8549 1 17 . 1 1 68 68 LEU CB C 68 44.123 44.123 44.302 -0.179 19682 8550 1 17 . 1 1 68 68 LEU H H 68 6.514 6.514 7.288 -0.774 19682 8551 1 17 . 1 1 69 69 LEU N N 69 119.803 119.803 121.780 -1.977 19682 8552 1 17 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.705 -0.022 19682 8553 1 17 . 1 1 69 69 LEU C C 69 174.879 174.879 175.527 -0.648 19682 8554 1 17 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.702 -1.485 19682 8555 1 17 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.995 2.340 19682 8556 1 17 . 1 1 69 69 LEU H H 69 8.050 8.050 8.274 -0.224 19682 8557 1 17 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.795 0.239 19682 8558 1 17 . 1 1 70 70 PRO CA C 70 62.045 62.045 60.861 1.184 19682 8559 1 17 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.631 1.402 19682 8560 1 17 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.656 -0.208 19682 8561 1 17 . 1 1 71 71 PRO C C 71 177.632 177.632 177.210 0.422 19682 8562 1 17 . 1 1 71 71 PRO CA C 71 62.988 62.988 63.013 -0.025 19682 8563 1 17 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.106 0.023 19682 8564 1 17 . 1 1 72 72 LEU N N 72 121.033 121.033 126.115 -5.082 19682 8565 1 17 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.249 0.397 19682 8566 1 17 . 1 1 72 72 LEU C C 72 177.983 177.983 177.260 0.723 19682 8567 1 17 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.743 -0.706 19682 8568 1 17 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.531 3.853 19682 8569 1 17 . 1 1 72 72 LEU H H 72 7.660 7.660 7.993 -0.333 19682 8570 1 17 . 1 1 73 73 THR N N 73 112.645 112.645 117.307 -4.662 19682 8571 1 17 . 1 1 73 73 THR HA H 73 4.289 4.289 4.130 0.159 19682 8572 1 17 . 1 1 73 73 THR C C 73 174.305 174.305 174.866 -0.561 19682 8573 1 17 . 1 1 73 73 THR CA C 73 62.324 62.324 64.446 -2.122 19682 8574 1 17 . 1 1 73 73 THR CB C 73 69.019 69.019 69.288 -0.269 19682 8575 1 17 . 1 1 73 73 THR H H 73 8.694 8.694 7.927 0.767 19682 8576 1 17 . 1 1 74 74 SER N N 74 114.234 114.234 115.313 -1.079 19682 8577 1 17 . 1 1 74 74 SER HA H 74 4.584 4.584 4.560 0.024 19682 8578 1 17 . 1 1 74 74 SER C C 74 172.833 172.833 173.354 -0.521 19682 8579 1 17 . 1 1 74 74 SER CA C 74 56.827 56.827 57.071 -0.244 19682 8580 1 17 . 1 1 74 74 SER CB C 74 64.678 64.678 65.305 -0.627 19682 8581 1 17 . 1 1 74 74 SER H H 74 7.503 7.503 7.707 -0.204 19682 8582 1 17 . 1 1 75 75 ILE N N 75 123.720 123.720 122.487 1.233 19682 8583 1 17 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.203 -0.124 19682 8584 1 17 . 1 1 75 75 ILE C C 75 174.819 174.819 175.116 -0.297 19682 8585 1 17 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.445 -0.837 19682 8586 1 17 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.857 -0.069 19682 8587 1 17 . 1 1 75 75 ILE H H 75 8.498 8.498 8.316 0.182 19682 8588 1 17 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.540 -0.132 19682 8589 1 17 . 1 1 76 76 PRO C C 76 176.339 176.339 177.130 -0.791 19682 8590 1 17 . 1 1 76 76 PRO CA C 76 63.004 63.004 63.218 -0.214 19682 8591 1 17 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.441 0.695 19682 8592 1 17 . 1 1 77 77 LYS N N 77 121.662 121.662 124.531 -2.869 19682 8593 1 17 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.881 0.454 19682 8594 1 17 . 1 1 77 77 LYS C C 77 177.278 177.278 175.766 1.512 19682 8595 1 17 . 1 1 77 77 LYS CA C 77 56.298 56.298 58.224 -1.926 19682 8596 1 17 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.395 1.382 19682 8597 1 17 . 1 1 77 77 LYS H H 77 8.516 8.516 8.547 -0.031 19682 8598 1 17 . 1 1 78 78 GLY N N 78 110.250 110.250 107.338 2.912 19682 8599 1 17 . 1 1 78 78 GLY C C 78 172.995 172.995 173.136 -0.141 19682 8600 1 17 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.847 -0.301 19682 8601 1 17 . 1 1 78 78 GLY H H 78 8.150 8.150 7.964 0.186 19682 8602 1 17 . 1 1 79 79 GLU N N 79 121.820 121.820 122.316 -0.496 19682 8603 1 17 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.362 0.007 19682 8604 1 17 . 1 1 79 79 GLU C C 79 175.847 175.847 175.225 0.622 19682 8605 1 17 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.946 0.031 19682 8606 1 17 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.351 0.287 19682 8607 1 17 . 1 1 79 79 GLU H H 79 8.342 8.342 8.332 0.010 19682 8608 1 17 . 1 1 80 80 TRP N N 80 126.690 126.690 126.845 -0.155 19682 8609 1 17 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.900 -0.386 19682 8610 1 17 . 1 1 80 80 TRP C C 80 172.733 172.733 173.680 -0.947 19682 8611 1 17 . 1 1 80 80 TRP CA C 80 59.568 59.568 57.060 2.508 19682 8612 1 17 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.845 -1.436 19682 8613 1 17 . 1 1 80 80 TRP H H 80 9.370 9.370 8.726 0.644 19682 8614 1 17 . 1 1 81 81 LEU N N 81 125.572 125.572 126.914 -1.342 19682 8615 1 17 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.173 0.848 19682 8616 1 17 . 1 1 81 81 LEU C C 81 174.617 174.617 175.285 -0.668 19682 8617 1 17 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.471 -1.037 19682 8618 1 17 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.589 1.271 19682 8619 1 17 . 1 1 81 81 LEU H H 81 6.540 6.540 7.869 -1.329 19682 8620 1 17 . 1 1 82 82 CYS N N 82 125.868 125.868 120.753 5.115 19682 8621 1 17 . 1 1 82 82 CYS HA H 82 3.529 3.529 4.029 -0.500 19682 8622 1 17 . 1 1 82 82 CYS C C 82 172.652 172.652 175.147 -2.495 19682 8623 1 17 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.095 1.467 19682 8624 1 17 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.464 3.080 19682 8625 1 17 . 1 1 82 82 CYS H H 82 9.086 9.086 7.792 1.294 19682 8626 1 17 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.000 0.068 19682 8627 1 17 . 1 1 83 83 PRO C C 83 178.541 178.541 178.561 -0.020 19682 8628 1 17 . 1 1 83 83 PRO CA C 83 65.267 65.267 66.017 -0.750 19682 8629 1 17 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.772 0.437 19682 8630 1 17 . 1 1 84 84 ARG N N 84 117.140 117.140 117.838 -0.698 19682 8631 1 17 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.128 0.069 19682 8632 1 17 . 1 1 84 84 ARG C C 84 177.983 177.983 178.615 -0.632 19682 8633 1 17 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.686 -0.149 19682 8634 1 17 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.318 1.497 19682 8635 1 17 . 1 1 84 84 ARG H H 84 8.041 8.041 8.057 -0.016 19682 8636 1 17 . 1 1 85 85 CYS N N 85 123.417 123.417 117.892 5.525 19682 8637 1 17 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.323 -0.420 19682 8638 1 17 . 1 1 85 85 CYS C C 85 177.298 177.298 177.235 0.063 19682 8639 1 17 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.135 3.034 19682 8640 1 17 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.085 3.953 19682 8641 1 17 . 1 1 85 85 CYS H H 85 8.210 8.210 7.828 0.382 19682 8642 1 17 . 1 1 86 86 VAL N N 86 118.037 118.037 119.863 -1.826 19682 8643 1 17 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.706 -0.066 19682 8644 1 17 . 1 1 86 86 VAL C C 86 176.623 176.623 176.648 -0.025 19682 8645 1 17 . 1 1 86 86 VAL CA C 86 64.508 64.508 64.897 -0.389 19682 8646 1 17 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.514 0.288 19682 8647 1 17 . 1 1 86 86 VAL H H 86 7.951 7.951 7.280 0.671 19682 8648 1 17 . 1 1 87 87 VAL N N 87 119.227 119.227 117.348 1.879 19682 8649 1 17 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.785 0.191 19682 8650 1 17 . 1 1 87 87 VAL C C 87 176.774 176.774 176.073 0.701 19682 8651 1 17 . 1 1 87 87 VAL CA C 87 63.182 63.182 64.369 -1.187 19682 8652 1 17 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.823 0.387 19682 8653 1 17 . 1 1 87 87 VAL H H 87 7.255 7.255 7.120 0.135 19682 8654 1 17 . 1 1 88 88 GLU N N 88 122.469 122.469 119.586 2.883 19682 8655 1 17 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.135 0.064 19682 8656 1 17 . 1 1 88 88 GLU C C 88 176.623 176.623 175.761 0.862 19682 8657 1 17 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.532 0.418 19682 8658 1 17 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.976 0.114 19682 8659 1 17 . 1 1 88 88 GLU H H 88 7.986 7.986 7.803 0.183 19682 8660 1 17 . 1 1 89 89 GLU N N 89 121.343 121.343 122.410 -1.067 19682 8661 1 17 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.113 0.076 19682 8662 1 17 . 1 1 89 89 GLU C C 89 176.744 176.744 175.856 0.888 19682 8663 1 17 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.461 0.495 19682 8664 1 17 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.449 0.463 19682 8665 1 17 . 1 1 89 89 GLU H H 89 8.168 8.168 8.617 -0.449 19682 8666 1 17 . 1 1 90 90 VAL N N 90 120.127 120.127 122.170 -2.043 19682 8667 1 17 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.953 0.131 19682 8668 1 17 . 1 1 90 90 VAL C C 90 176.290 176.290 176.688 -0.398 19682 8669 1 17 . 1 1 90 90 VAL CA C 90 62.592 62.592 63.904 -1.312 19682 8670 1 17 . 1 1 90 90 VAL CB C 90 32.527 32.527 32.037 0.490 19682 8671 1 17 . 1 1 90 90 VAL H H 90 8.027 8.027 8.386 -0.359 19682 8672 1 17 . 1 1 91 91 SER N N 91 118.678 118.678 112.756 5.922 19682 8673 1 17 . 1 1 91 91 SER HA H 91 4.439 4.439 4.550 -0.111 19682 8674 1 17 . 1 1 91 91 SER C C 91 173.932 173.932 173.247 0.685 19682 8675 1 17 . 1 1 91 91 SER CA C 91 58.189 58.189 57.722 0.467 19682 8676 1 17 . 1 1 91 91 SER CB C 91 63.706 63.706 65.107 -1.401 19682 8677 1 17 . 1 1 91 91 SER H H 91 8.222 8.222 7.867 0.355 19682 8678 1 17 . 1 1 92 92 LYS N N 92 124.547 124.547 123.345 1.202 19682 8679 1 17 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.697 -0.090 19682 8680 1 17 . 1 1 92 92 LYS C C 92 174.395 174.395 174.297 0.098 19682 8681 1 17 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.031 0.241 19682 8682 1 17 . 1 1 92 92 LYS CB C 92 32.646 32.646 33.492 -0.846 19682 8683 1 17 . 1 1 92 92 LYS H H 92 8.165 8.165 8.547 -0.382 19682 8684 1 17 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.381 0.038 19682 8685 1 17 . 1 1 93 93 PRO C C 93 176.194 176.194 175.973 0.221 19682 8686 1 17 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.270 0.148 19682 8687 1 17 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.716 0.180 19682 8688 1 18 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.846 -0.096 19682 8689 1 18 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.293 0.999 19682 8690 1 18 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.623 -0.065 19682 8691 1 18 . 1 1 2 2 HIS H H 2 8.134 8.134 8.320 -0.186 19682 8692 1 18 . 1 1 3 3 MET N N 3 123.164 123.164 126.460 -3.296 19682 8693 1 18 . 1 1 3 3 MET HA H 3 4.494 4.494 4.318 0.176 19682 8694 1 18 . 1 1 3 3 MET C C 3 176.078 176.078 175.204 0.874 19682 8695 1 18 . 1 1 3 3 MET CA C 3 55.504 55.504 54.949 0.555 19682 8696 1 18 . 1 1 3 3 MET CB C 3 32.860 32.860 31.620 1.240 19682 8697 1 18 . 1 1 3 3 MET H H 3 8.419 8.419 8.654 -0.235 19682 8698 1 18 . 1 1 4 4 SER N N 4 117.403 117.403 115.962 1.441 19682 8699 1 18 . 1 1 4 4 SER HA H 4 4.439 4.439 4.341 0.098 19682 8700 1 18 . 1 1 4 4 SER C C 4 175.011 175.011 175.595 -0.584 19682 8701 1 18 . 1 1 4 4 SER CA C 4 58.516 58.516 59.181 -0.665 19682 8702 1 18 . 1 1 4 4 SER CB C 4 63.773 63.773 63.109 0.664 19682 8703 1 18 . 1 1 4 4 SER H H 4 8.416 8.416 8.167 0.249 19682 8704 1 18 . 1 1 5 5 GLY N N 5 111.174 111.174 111.963 -0.789 19682 8705 1 18 . 1 1 5 5 GLY C C 5 174.567 174.567 174.144 0.423 19682 8706 1 18 . 1 1 5 5 GLY CA C 5 45.185 45.185 46.287 -1.102 19682 8707 1 18 . 1 1 5 5 GLY H H 5 8.475 8.475 9.088 -0.613 19682 8708 1 18 . 1 1 6 6 GLY N N 6 108.594 108.594 107.992 0.602 19682 8709 1 18 . 1 1 6 6 GLY C C 6 173.781 173.781 173.909 -0.128 19682 8710 1 18 . 1 1 6 6 GLY CA C 6 44.983 44.983 44.670 0.313 19682 8711 1 18 . 1 1 6 6 GLY H H 6 8.274 8.274 7.966 0.308 19682 8712 1 18 . 1 1 7 7 SER N N 7 116.558 116.558 118.169 -1.611 19682 8713 1 18 . 1 1 7 7 SER C C 7 172.995 172.995 173.933 -0.938 19682 8714 1 18 . 1 1 7 7 SER CA C 7 56.387 56.387 57.038 -0.651 19682 8715 1 18 . 1 1 7 7 SER CB C 7 63.508 63.508 63.837 -0.329 19682 8716 1 18 . 1 1 7 7 SER H H 7 8.220 8.220 8.301 -0.081 19682 8717 1 18 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.407 0.047 19682 8718 1 18 . 1 1 8 8 PRO C C 8 176.864 176.864 176.173 0.691 19682 8719 1 18 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.978 0.370 19682 8720 1 18 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.139 -0.129 19682 8721 1 18 . 1 1 9 9 LEU N N 9 121.497 121.497 125.962 -4.465 19682 8722 1 18 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.312 -0.008 19682 8723 1 18 . 1 1 9 9 LEU C C 9 177.237 177.237 176.694 0.543 19682 8724 1 18 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.644 0.379 19682 8725 1 18 . 1 1 9 9 LEU CB C 9 42.353 42.353 42.741 -0.388 19682 8726 1 18 . 1 1 9 9 LEU H H 9 8.196 8.196 8.460 -0.264 19682 8727 1 18 . 1 1 10 10 ALA N N 10 124.964 124.964 130.064 -5.100 19682 8728 1 18 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.417 -0.015 19682 8729 1 18 . 1 1 10 10 ALA C C 10 177.812 177.812 176.433 1.379 19682 8730 1 18 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.171 0.237 19682 8731 1 18 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.546 0.692 19682 8732 1 18 . 1 1 10 10 ALA H H 10 8.242 8.242 8.667 -0.425 19682 8733 1 18 . 1 1 11 11 THR N N 11 112.852 112.852 116.822 -3.970 19682 8734 1 18 . 1 1 11 11 THR HA H 11 4.341 4.341 4.551 -0.210 19682 8735 1 18 . 1 1 11 11 THR C C 11 175.181 175.181 174.356 0.825 19682 8736 1 18 . 1 1 11 11 THR CA C 11 61.870 61.870 61.935 -0.066 19682 8737 1 18 . 1 1 11 11 THR CB C 11 69.622 69.622 69.356 0.266 19682 8738 1 18 . 1 1 11 11 THR H H 11 8.081 8.081 8.043 0.038 19682 8739 1 18 . 1 1 12 12 GLY N N 12 110.929 110.929 114.563 -3.634 19682 8740 1 18 . 1 1 12 12 GLY C C 12 174.395 174.395 173.103 1.292 19682 8741 1 18 . 1 1 12 12 GLY CA C 12 45.376 45.376 45.573 -0.197 19682 8742 1 18 . 1 1 12 12 GLY H H 12 8.408 8.408 8.517 -0.109 19682 8743 1 18 . 1 1 13 13 THR N N 13 113.482 113.482 117.832 -4.350 19682 8744 1 18 . 1 1 13 13 THR HA H 13 4.445 4.445 4.683 -0.238 19682 8745 1 18 . 1 1 13 13 THR C C 13 174.889 174.889 174.342 0.547 19682 8746 1 18 . 1 1 13 13 THR CA C 13 61.816 61.816 61.382 0.435 19682 8747 1 18 . 1 1 13 13 THR CB C 13 69.812 69.812 69.813 -0.001 19682 8748 1 18 . 1 1 13 13 THR H H 13 8.130 8.130 8.089 0.041 19682 8749 1 18 . 1 1 14 14 THR N N 14 116.080 116.080 115.459 0.621 19682 8750 1 18 . 1 1 14 14 THR HA H 14 4.370 4.370 4.630 -0.260 19682 8751 1 18 . 1 1 14 14 THR C C 14 174.385 174.385 173.823 0.562 19682 8752 1 18 . 1 1 14 14 THR CA C 14 61.788 61.788 61.356 0.431 19682 8753 1 18 . 1 1 14 14 THR CB C 14 69.696 69.696 70.294 -0.598 19682 8754 1 18 . 1 1 14 14 THR H H 14 8.199 8.199 8.129 0.070 19682 8755 1 18 . 1 1 15 15 ALA N N 15 126.054 126.054 128.367 -2.313 19682 8756 1 18 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.223 0.078 19682 8757 1 18 . 1 1 15 15 ALA C C 15 177.469 177.469 177.824 -0.355 19682 8758 1 18 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.525 0.321 19682 8759 1 18 . 1 1 15 15 ALA CB C 15 19.184 19.184 18.515 0.669 19682 8760 1 18 . 1 1 15 15 ALA H H 15 8.349 8.349 8.185 0.164 19682 8761 1 18 . 1 1 16 16 ASN N N 16 117.718 117.718 118.089 -0.371 19682 8762 1 18 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.609 0.135 19682 8763 1 18 . 1 1 16 16 ASN C C 16 175.575 175.575 174.549 1.026 19682 8764 1 18 . 1 1 16 16 ASN CA C 16 53.197 53.197 54.747 -1.550 19682 8765 1 18 . 1 1 16 16 ASN CB C 16 38.732 38.732 37.682 1.050 19682 8766 1 18 . 1 1 16 16 ASN H H 16 8.403 8.403 8.713 -0.310 19682 8767 1 18 . 1 1 17 17 THR N N 17 114.153 114.153 113.159 0.994 19682 8768 1 18 . 1 1 17 17 THR HA H 17 4.312 4.312 4.656 -0.344 19682 8769 1 18 . 1 1 17 17 THR C C 17 174.799 174.799 174.173 0.626 19682 8770 1 18 . 1 1 17 17 THR CA C 17 61.973 61.973 61.989 -0.016 19682 8771 1 18 . 1 1 17 17 THR CB C 17 69.624 69.624 70.143 -0.519 19682 8772 1 18 . 1 1 17 17 THR H H 17 8.081 8.081 8.175 -0.094 19682 8773 1 18 . 1 1 18 18 ARG N N 18 122.990 122.990 120.926 2.064 19682 8774 1 18 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.114 0.211 19682 8775 1 18 . 1 1 18 18 ARG C C 18 176.875 176.875 175.577 1.298 19682 8776 1 18 . 1 1 18 18 ARG CA C 18 56.551 56.551 56.523 0.028 19682 8777 1 18 . 1 1 18 18 ARG CB C 18 30.587 30.587 29.322 1.265 19682 8778 1 18 . 1 1 18 18 ARG H H 18 8.351 8.351 8.704 -0.353 19682 8779 1 18 . 1 1 19 19 GLY N N 19 109.993 109.993 107.952 2.041 19682 8780 1 18 . 1 1 19 19 GLY C C 19 174.002 174.002 173.300 0.702 19682 8781 1 18 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.990 0.324 19682 8782 1 18 . 1 1 19 19 GLY H H 19 8.394 8.394 8.350 0.044 19682 8783 1 18 . 1 1 20 20 ALA N N 20 123.732 123.732 123.723 0.009 19682 8784 1 18 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.579 -0.237 19682 8785 1 18 . 1 1 20 20 ALA C C 20 178.034 178.034 175.314 2.720 19682 8786 1 18 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.237 0.413 19682 8787 1 18 . 1 1 20 20 ALA CB C 20 19.221 19.221 21.030 -1.809 19682 8788 1 18 . 1 1 20 20 ALA H H 20 8.185 8.185 7.501 0.684 19682 8789 1 18 . 1 1 21 21 SER N N 21 114.750 114.750 116.460 -1.710 19682 8790 1 18 . 1 1 21 21 SER HA H 21 4.419 4.419 4.469 -0.050 19682 8791 1 18 . 1 1 21 21 SER C C 21 174.627 174.627 173.309 1.318 19682 8792 1 18 . 1 1 21 21 SER CA C 21 58.495 58.495 58.752 -0.258 19682 8793 1 18 . 1 1 21 21 SER CB C 21 63.697 63.697 63.849 -0.152 19682 8794 1 18 . 1 1 21 21 SER H H 21 8.319 8.319 8.430 -0.111 19682 8795 1 18 . 1 1 22 22 GLN N N 22 122.092 122.092 120.317 1.775 19682 8796 1 18 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.194 0.150 19682 8797 1 18 . 1 1 22 22 GLN C C 22 175.857 175.857 174.388 1.469 19682 8798 1 18 . 1 1 22 22 GLN CA C 22 55.775 55.775 56.364 -0.589 19682 8799 1 18 . 1 1 22 22 GLN CB C 22 29.398 29.398 28.596 0.802 19682 8800 1 18 . 1 1 22 22 GLN H H 22 8.343 8.343 8.212 0.131 19682 8801 1 18 . 1 1 23 23 LYS N N 23 122.663 122.663 124.056 -1.393 19682 8802 1 18 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.135 0.162 19682 8803 1 18 . 1 1 23 23 LYS C C 23 176.502 176.502 176.897 -0.395 19682 8804 1 18 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.743 -0.428 19682 8805 1 18 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.658 0.390 19682 8806 1 18 . 1 1 23 23 LYS H H 23 8.309 8.309 8.446 -0.137 19682 8807 1 18 . 1 1 24 24 LYS N N 24 123.434 123.434 127.628 -4.194 19682 8808 1 18 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.390 -0.064 19682 8809 1 18 . 1 1 24 24 LYS C C 24 177.026 177.026 176.919 0.107 19682 8810 1 18 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.688 0.671 19682 8811 1 18 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.739 0.254 19682 8812 1 18 . 1 1 24 24 LYS H H 24 8.469 8.469 8.459 0.010 19682 8813 1 18 . 1 1 25 25 GLY N N 25 110.813 110.813 110.409 0.404 19682 8814 1 18 . 1 1 25 25 GLY C C 25 174.476 174.476 174.172 0.304 19682 8815 1 18 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.887 0.387 19682 8816 1 18 . 1 1 25 25 GLY H H 25 8.531 8.531 8.314 0.217 19682 8817 1 18 . 1 1 26 26 GLY N N 26 108.690 108.690 108.481 0.209 19682 8818 1 18 . 1 1 26 26 GLY C C 26 173.851 173.851 173.459 0.392 19682 8819 1 18 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.316 -0.247 19682 8820 1 18 . 1 1 26 26 GLY H H 26 8.279 8.279 8.198 0.081 19682 8821 1 18 . 1 1 27 27 GLU N N 27 121.707 121.707 121.780 -0.073 19682 8822 1 18 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.542 0.042 19682 8823 1 18 . 1 1 27 27 GLU C C 27 174.204 174.204 174.355 -0.151 19682 8824 1 18 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.516 -0.076 19682 8825 1 18 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.222 -0.785 19682 8826 1 18 . 1 1 27 27 GLU H H 27 8.321 8.321 8.247 0.074 19682 8827 1 18 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.659 -0.265 19682 8828 1 18 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.847 0.964 19682 8829 1 18 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.572 0.586 19682 8830 1 18 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.343 0.054 19682 8831 1 18 . 1 1 29 29 PRO C C 29 176.462 176.462 175.899 0.563 19682 8832 1 18 . 1 1 29 29 PRO CA C 29 62.844 62.844 63.280 -0.436 19682 8833 1 18 . 1 1 29 29 PRO CB C 29 31.961 31.961 30.776 1.185 19682 8834 1 18 . 1 1 30 30 ALA N N 30 123.850 123.850 126.595 -2.745 19682 8835 1 18 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.450 -0.176 19682 8836 1 18 . 1 1 30 30 ALA C C 30 177.368 177.368 177.109 0.259 19682 8837 1 18 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.090 0.167 19682 8838 1 18 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.789 -0.552 19682 8839 1 18 . 1 1 30 30 ALA H H 30 8.290 8.290 8.362 -0.072 19682 8840 1 18 . 1 1 31 31 LEU N N 31 121.430 121.430 121.873 -0.443 19682 8841 1 18 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.309 0.024 19682 8842 1 18 . 1 1 31 31 LEU C C 31 176.804 176.804 176.053 0.751 19682 8843 1 18 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.637 0.378 19682 8844 1 18 . 1 1 31 31 LEU CB C 31 42.444 42.444 41.087 1.357 19682 8845 1 18 . 1 1 31 31 LEU H H 31 8.139 8.139 7.737 0.402 19682 8846 1 18 . 1 1 32 32 ILE N N 32 123.070 123.070 121.969 1.101 19682 8847 1 18 . 1 1 32 32 ILE HA H 32 4.168 4.168 3.801 0.367 19682 8848 1 18 . 1 1 32 32 ILE C C 32 175.887 175.887 175.461 0.426 19682 8849 1 18 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.650 -0.960 19682 8850 1 18 . 1 1 32 32 ILE CB C 32 38.477 38.477 36.646 1.831 19682 8851 1 18 . 1 1 32 32 ILE H H 32 8.140 8.140 8.319 -0.179 19682 8852 1 18 . 1 1 33 33 VAL N N 33 124.923 124.923 126.021 -1.098 19682 8853 1 18 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.005 0.082 19682 8854 1 18 . 1 1 33 33 VAL C C 33 175.232 175.232 175.373 -0.141 19682 8855 1 18 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.276 -0.425 19682 8856 1 18 . 1 1 33 33 VAL CB C 33 32.920 32.920 29.797 3.123 19682 8857 1 18 . 1 1 33 33 VAL H H 33 8.198 8.198 8.532 -0.334 19682 8858 1 18 . 1 1 34 34 ASP N N 34 125.813 125.813 126.627 -0.814 19682 8859 1 18 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.796 0.064 19682 8860 1 18 . 1 1 34 34 ASP C C 34 174.919 174.919 174.574 0.345 19682 8861 1 18 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.689 -0.763 19682 8862 1 18 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.711 -1.207 19682 8863 1 18 . 1 1 34 34 ASP H H 34 8.336 8.336 7.714 0.622 19682 8864 1 18 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.271 0.093 19682 8865 1 18 . 1 1 35 35 PRO C C 35 177.091 177.091 176.985 0.106 19682 8866 1 18 . 1 1 35 35 PRO CA C 35 63.514 63.514 64.334 -0.820 19682 8867 1 18 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.124 0.049 19682 8868 1 18 . 1 1 36 36 LEU N N 36 119.977 119.977 113.056 6.921 19682 8869 1 18 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.298 -0.042 19682 8870 1 18 . 1 1 36 36 LEU C C 36 177.479 177.479 175.518 1.961 19682 8871 1 18 . 1 1 36 36 LEU CA C 36 55.226 55.226 54.821 0.406 19682 8872 1 18 . 1 1 36 36 LEU CB C 36 41.635 41.635 42.535 -0.900 19682 8873 1 18 . 1 1 36 36 LEU H H 36 8.316 8.316 7.563 0.753 19682 8874 1 18 . 1 1 37 37 MET N N 37 120.231 120.231 118.947 1.284 19682 8875 1 18 . 1 1 37 37 MET HA H 37 4.326 4.326 4.183 0.143 19682 8876 1 18 . 1 1 37 37 MET C C 37 175.171 175.171 176.875 -1.704 19682 8877 1 18 . 1 1 37 37 MET CA C 37 55.160 55.160 57.764 -2.604 19682 8878 1 18 . 1 1 37 37 MET CB C 37 32.514 32.514 32.904 -0.390 19682 8879 1 18 . 1 1 37 37 MET H H 37 7.893 7.893 7.680 0.213 19682 8880 1 18 . 1 1 38 38 LYS N N 38 122.361 122.361 120.574 1.787 19682 8881 1 18 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.246 -0.086 19682 8882 1 18 . 1 1 38 38 LYS C C 38 175.837 175.837 175.950 -0.113 19682 8883 1 18 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.184 0.921 19682 8884 1 18 . 1 1 38 38 LYS CB C 38 33.214 33.214 30.265 2.949 19682 8885 1 18 . 1 1 38 38 LYS H H 38 7.929 7.929 7.795 0.134 19682 8886 1 18 . 1 1 39 39 TYR N N 39 120.347 120.347 123.702 -3.355 19682 8887 1 18 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.418 0.152 19682 8888 1 18 . 1 1 39 39 TYR C C 39 174.325 174.325 175.114 -0.789 19682 8889 1 18 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.325 -0.901 19682 8890 1 18 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.465 1.144 19682 8891 1 18 . 1 1 39 39 TYR H H 39 8.020 8.020 7.808 0.212 19682 8892 1 18 . 1 1 40 40 ILE N N 40 119.688 119.688 123.017 -3.329 19682 8893 1 18 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.256 -0.281 19682 8894 1 18 . 1 1 40 40 ILE C C 40 175.181 175.181 175.320 -0.139 19682 8895 1 18 . 1 1 40 40 ILE CA C 40 58.580 58.580 58.050 0.530 19682 8896 1 18 . 1 1 40 40 ILE CB C 40 39.694 39.694 40.321 -0.627 19682 8897 1 18 . 1 1 40 40 ILE H H 40 8.000 8.000 7.924 0.076 19682 8898 1 18 . 1 1 41 41 CYS N N 41 129.049 129.049 127.348 1.701 19682 8899 1 18 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.264 -0.292 19682 8900 1 18 . 1 1 41 41 CYS C C 41 177.197 177.197 176.139 1.058 19682 8901 1 18 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.822 0.235 19682 8902 1 18 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.171 6.203 19682 8903 1 18 . 1 1 41 41 CYS H H 41 7.990 7.990 8.533 -0.543 19682 8904 1 18 . 1 1 42 42 HIS N N 42 127.633 127.633 128.640 -1.007 19682 8905 1 18 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.104 0.028 19682 8906 1 18 . 1 1 42 42 HIS C C 42 174.385 174.385 176.441 -2.056 19682 8907 1 18 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.924 -0.933 19682 8908 1 18 . 1 1 42 42 HIS CB C 42 28.700 28.700 30.014 -1.314 19682 8909 1 18 . 1 1 42 42 HIS H H 42 8.933 8.933 8.709 0.224 19682 8910 1 18 . 1 1 43 43 ILE N N 43 119.482 119.482 118.871 0.611 19682 8911 1 18 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.661 0.504 19682 8912 1 18 . 1 1 43 43 ILE C C 43 176.673 176.673 177.262 -0.589 19682 8913 1 18 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.964 -1.842 19682 8914 1 18 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.302 0.032 19682 8915 1 18 . 1 1 43 43 ILE H H 43 8.944 8.944 8.150 0.794 19682 8916 1 18 . 1 1 44 44 CYS N N 44 117.996 117.996 115.920 2.076 19682 8917 1 18 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.524 0.360 19682 8918 1 18 . 1 1 44 44 CYS C C 44 176.008 176.008 174.734 1.274 19682 8919 1 18 . 1 1 44 44 CYS CA C 44 59.001 59.001 58.955 0.046 19682 8920 1 18 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.936 3.119 19682 8921 1 18 . 1 1 44 44 CYS H H 44 8.221 8.221 7.792 0.429 19682 8922 1 18 . 1 1 45 45 ASN N N 45 117.410 117.410 116.981 0.429 19682 8923 1 18 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.297 0.090 19682 8924 1 18 . 1 1 45 45 ASN C C 45 173.893 173.893 173.877 0.016 19682 8925 1 18 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.336 0.679 19682 8926 1 18 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.676 0.178 19682 8927 1 18 . 1 1 45 45 ASN H H 45 8.040 8.040 8.435 -0.395 19682 8928 1 18 . 1 1 46 46 ARG N N 46 117.127 117.127 118.177 -1.050 19682 8929 1 18 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.696 0.024 19682 8930 1 18 . 1 1 46 46 ARG C C 46 176.865 176.865 175.798 1.067 19682 8931 1 18 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.442 0.985 19682 8932 1 18 . 1 1 46 46 ARG CB C 46 34.152 34.152 32.404 1.748 19682 8933 1 18 . 1 1 46 46 ARG H H 46 8.201 8.201 7.388 0.813 19682 8934 1 18 . 1 1 47 47 GLY N N 47 109.334 109.334 110.452 -1.118 19682 8935 1 18 . 1 1 47 47 GLY C C 47 173.670 173.670 174.220 -0.550 19682 8936 1 18 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.820 0.197 19682 8937 1 18 . 1 1 47 47 GLY H H 47 8.902 8.902 8.900 0.002 19682 8938 1 18 . 1 1 48 48 ASP N N 48 117.908 117.908 120.245 -2.337 19682 8939 1 18 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.554 0.146 19682 8940 1 18 . 1 1 48 48 ASP C C 48 173.871 173.871 177.134 -3.263 19682 8941 1 18 . 1 1 48 48 ASP CA C 48 52.409 52.409 55.570 -3.161 19682 8942 1 18 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.402 -0.543 19682 8943 1 18 . 1 1 48 48 ASP H H 48 8.046 8.046 8.037 0.009 19682 8944 1 18 . 1 1 49 49 VAL N N 49 117.921 117.921 122.741 -4.820 19682 8945 1 18 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.122 -0.419 19682 8946 1 18 . 1 1 49 49 VAL C C 49 177.096 177.096 176.370 0.726 19682 8947 1 18 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.730 -0.239 19682 8948 1 18 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.235 -0.812 19682 8949 1 18 . 1 1 49 49 VAL H H 49 8.772 8.772 8.200 0.572 19682 8950 1 18 . 1 1 50 50 GLU N N 50 120.434 120.434 126.840 -6.406 19682 8951 1 18 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.156 -0.324 19682 8952 1 18 . 1 1 50 50 GLU C C 50 178.779 178.779 178.337 0.442 19682 8953 1 18 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.740 1.180 19682 8954 1 18 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.635 -0.498 19682 8955 1 18 . 1 1 50 50 GLU H H 50 9.047 9.047 8.167 0.880 19682 8956 1 18 . 1 1 51 51 GLU N N 51 119.158 119.158 119.613 -0.455 19682 8957 1 18 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.120 0.187 19682 8958 1 18 . 1 1 51 51 GLU C C 51 177.358 177.358 176.834 0.524 19682 8959 1 18 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.383 -0.127 19682 8960 1 18 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.500 -1.275 19682 8961 1 18 . 1 1 51 51 GLU H H 51 9.822 9.822 8.846 0.976 19682 8962 1 18 . 1 1 52 52 SER N N 52 116.430 116.430 112.956 3.474 19682 8963 1 18 . 1 1 52 52 SER HA H 52 4.716 4.716 4.596 0.120 19682 8964 1 18 . 1 1 52 52 SER C C 52 172.309 172.309 173.603 -1.294 19682 8965 1 18 . 1 1 52 52 SER CA C 52 57.745 57.745 58.430 -0.685 19682 8966 1 18 . 1 1 52 52 SER CB C 52 64.494 64.494 63.981 0.513 19682 8967 1 18 . 1 1 52 52 SER H H 52 8.291 8.291 8.111 0.180 19682 8968 1 18 . 1 1 53 53 MET N N 53 121.812 121.812 123.746 -1.934 19682 8969 1 18 . 1 1 53 53 MET HA H 53 4.577 4.577 4.481 0.096 19682 8970 1 18 . 1 1 53 53 MET C C 53 174.385 174.385 174.956 -0.571 19682 8971 1 18 . 1 1 53 53 MET CA C 53 54.784 54.784 56.007 -1.222 19682 8972 1 18 . 1 1 53 53 MET CB C 53 33.410 33.410 33.121 0.289 19682 8973 1 18 . 1 1 53 53 MET H H 53 7.648 7.648 7.377 0.271 19682 8974 1 18 . 1 1 54 54 LEU N N 54 128.167 128.167 128.211 -0.044 19682 8975 1 18 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.629 -0.381 19682 8976 1 18 . 1 1 54 54 LEU C C 54 175.111 175.111 175.303 -0.192 19682 8977 1 18 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.260 0.363 19682 8978 1 18 . 1 1 54 54 LEU CB C 54 43.759 43.759 44.734 -0.975 19682 8979 1 18 . 1 1 54 54 LEU H H 54 9.007 9.007 8.734 0.273 19682 8980 1 18 . 1 1 55 55 LEU N N 55 122.173 122.173 123.362 -1.189 19682 8981 1 18 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.994 -0.189 19682 8982 1 18 . 1 1 55 55 LEU C C 55 176.260 176.260 176.417 -0.157 19682 8983 1 18 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.393 -0.146 19682 8984 1 18 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.241 0.032 19682 8985 1 18 . 1 1 55 55 LEU H H 55 8.139 8.139 8.243 -0.104 19682 8986 1 18 . 1 1 56 56 CYS N N 56 126.541 126.541 128.174 -1.633 19682 8987 1 18 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.688 0.038 19682 8988 1 18 . 1 1 56 56 CYS C C 56 177.671 177.671 176.451 1.220 19682 8989 1 18 . 1 1 56 56 CYS CA C 56 60.220 60.220 59.139 1.081 19682 8990 1 18 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.491 4.592 19682 8991 1 18 . 1 1 56 56 CYS H H 56 8.996 8.996 9.107 -0.111 19682 8992 1 18 . 1 1 57 57 ASP N N 57 130.338 130.338 129.288 1.050 19682 8993 1 18 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.510 0.157 19682 8994 1 18 . 1 1 57 57 ASP C C 57 176.159 176.159 177.148 -0.989 19682 8995 1 18 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.709 0.748 19682 8996 1 18 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.044 1.157 19682 8997 1 18 . 1 1 57 57 ASP H H 57 9.373 9.373 8.700 0.673 19682 8998 1 18 . 1 1 58 58 GLY N N 58 114.137 114.137 105.804 8.333 19682 8999 1 18 . 1 1 58 58 GLY C C 58 174.801 174.801 174.227 0.574 19682 9000 1 18 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.867 1.115 19682 9001 1 18 . 1 1 58 58 GLY H H 58 10.023 10.023 8.518 1.505 19682 9002 1 18 . 1 1 59 59 CYS N N 59 120.775 120.775 117.724 3.051 19682 9003 1 18 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.662 0.229 19682 9004 1 18 . 1 1 59 59 CYS C C 59 175.564 175.564 172.863 2.701 19682 9005 1 18 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.261 1.480 19682 9006 1 18 . 1 1 59 59 CYS CB C 59 33.079 33.079 28.655 4.424 19682 9007 1 18 . 1 1 59 59 CYS H H 59 8.132 8.132 7.416 0.716 19682 9008 1 18 . 1 1 60 60 ASP N N 60 119.232 119.232 122.519 -3.287 19682 9009 1 18 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.842 -0.153 19682 9010 1 18 . 1 1 60 60 ASP C C 60 174.738 174.738 174.353 0.385 19682 9011 1 18 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.503 1.962 19682 9012 1 18 . 1 1 60 60 ASP CB C 60 41.041 41.041 41.011 0.029 19682 9013 1 18 . 1 1 60 60 ASP H H 60 8.085 8.085 8.408 -0.323 19682 9014 1 18 . 1 1 61 61 ASP N N 61 121.704 121.704 123.158 -1.454 19682 9015 1 18 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.627 0.222 19682 9016 1 18 . 1 1 61 61 ASP C C 61 175.454 175.454 173.887 1.567 19682 9017 1 18 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.971 1.522 19682 9018 1 18 . 1 1 61 61 ASP CB C 61 42.194 42.194 43.727 -1.533 19682 9019 1 18 . 1 1 61 61 ASP H H 61 8.703 8.703 8.375 0.328 19682 9020 1 18 . 1 1 62 62 SER N N 62 113.381 113.381 115.976 -2.595 19682 9021 1 18 . 1 1 62 62 SER HA H 62 5.703 5.703 5.724 -0.021 19682 9022 1 18 . 1 1 62 62 SER C C 62 173.821 173.821 173.171 0.650 19682 9023 1 18 . 1 1 62 62 SER CA C 62 56.165 56.165 57.649 -1.484 19682 9024 1 18 . 1 1 62 62 SER CB C 62 65.275 65.275 65.804 -0.529 19682 9025 1 18 . 1 1 62 62 SER H H 62 8.313 8.313 8.562 -0.249 19682 9026 1 18 . 1 1 63 63 TYR N N 63 120.467 120.467 121.977 -1.510 19682 9027 1 18 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.678 0.673 19682 9028 1 18 . 1 1 63 63 TYR C C 63 175.393 175.393 175.264 0.129 19682 9029 1 18 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.661 0.026 19682 9030 1 18 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.224 2.102 19682 9031 1 18 . 1 1 63 63 TYR H H 63 8.815 8.815 8.973 -0.158 19682 9032 1 18 . 1 1 64 64 HIS N N 64 121.957 121.957 122.095 -0.138 19682 9033 1 18 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.735 0.115 19682 9034 1 18 . 1 1 64 64 HIS C C 64 178.559 178.559 177.116 1.443 19682 9035 1 18 . 1 1 64 64 HIS CA C 64 57.490 57.490 56.034 1.456 19682 9036 1 18 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.229 0.807 19682 9037 1 18 . 1 1 64 64 HIS H H 64 9.276 9.276 8.033 1.243 19682 9038 1 18 . 1 1 65 65 THR N N 65 113.100 113.100 115.928 -2.828 19682 9039 1 18 . 1 1 65 65 THR HA H 65 3.603 3.603 3.881 -0.278 19682 9040 1 18 . 1 1 65 65 THR C C 65 176.824 176.824 175.918 0.906 19682 9041 1 18 . 1 1 65 65 THR CA C 65 64.805 64.805 65.841 -1.036 19682 9042 1 18 . 1 1 65 65 THR CB C 65 66.441 66.441 68.834 -2.393 19682 9043 1 18 . 1 1 65 65 THR H H 65 8.832 8.832 8.145 0.687 19682 9044 1 18 . 1 1 66 66 PHE N N 66 111.288 111.288 114.246 -2.958 19682 9045 1 18 . 1 1 66 66 PHE HA H 66 4.725 4.725 5.072 -0.347 19682 9046 1 18 . 1 1 66 66 PHE C C 66 176.846 176.846 175.434 1.412 19682 9047 1 18 . 1 1 66 66 PHE CA C 66 56.215 56.215 55.882 0.333 19682 9048 1 18 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.011 0.419 19682 9049 1 18 . 1 1 66 66 PHE H H 66 6.541 6.541 7.717 -1.176 19682 9050 1 18 . 1 1 67 67 CYS N N 67 123.228 123.228 118.506 4.722 19682 9051 1 18 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.375 0.118 19682 9052 1 18 . 1 1 67 67 CYS C C 67 174.627 174.627 175.475 -0.848 19682 9053 1 18 . 1 1 67 67 CYS CA C 67 62.136 62.136 60.966 1.170 19682 9054 1 18 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.925 2.678 19682 9055 1 18 . 1 1 67 67 CYS H H 67 7.384 7.384 7.301 0.083 19682 9056 1 18 . 1 1 68 68 LEU N N 68 119.645 119.645 121.108 -1.463 19682 9057 1 18 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.464 -0.337 19682 9058 1 18 . 1 1 68 68 LEU C C 68 174.738 174.738 175.164 -0.426 19682 9059 1 18 . 1 1 68 68 LEU CA C 68 55.011 55.011 54.956 0.055 19682 9060 1 18 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.560 1.563 19682 9061 1 18 . 1 1 68 68 LEU H H 68 6.514 6.514 7.621 -1.107 19682 9062 1 18 . 1 1 69 69 LEU N N 69 119.803 119.803 120.201 -0.398 19682 9063 1 18 . 1 1 69 69 LEU HA H 69 4.683 4.683 5.050 -0.367 19682 9064 1 18 . 1 1 69 69 LEU C C 69 174.879 174.879 175.761 -0.882 19682 9065 1 18 . 1 1 69 69 LEU CA C 69 51.217 51.217 51.514 -0.297 19682 9066 1 18 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.414 2.921 19682 9067 1 18 . 1 1 69 69 LEU H H 69 8.050 8.050 8.222 -0.172 19682 9068 1 18 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.731 0.303 19682 9069 1 18 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.777 0.268 19682 9070 1 18 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.537 1.496 19682 9071 1 18 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.749 -0.301 19682 9072 1 18 . 1 1 71 71 PRO C C 71 177.632 177.632 177.051 0.581 19682 9073 1 18 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.650 0.338 19682 9074 1 18 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.595 -0.466 19682 9075 1 18 . 1 1 72 72 LEU N N 72 121.033 121.033 122.726 -1.693 19682 9076 1 18 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.290 0.356 19682 9077 1 18 . 1 1 72 72 LEU C C 72 177.983 177.983 178.060 -0.077 19682 9078 1 18 . 1 1 72 72 LEU CA C 72 54.037 54.037 55.292 -1.255 19682 9079 1 18 . 1 1 72 72 LEU CB C 72 43.384 43.384 41.231 2.153 19682 9080 1 18 . 1 1 72 72 LEU H H 72 7.660 7.660 7.945 -0.285 19682 9081 1 18 . 1 1 73 73 THR N N 73 112.645 112.645 117.847 -5.202 19682 9082 1 18 . 1 1 73 73 THR HA H 73 4.289 4.289 4.246 0.043 19682 9083 1 18 . 1 1 73 73 THR C C 73 174.305 174.305 175.021 -0.716 19682 9084 1 18 . 1 1 73 73 THR CA C 73 62.324 62.324 63.949 -1.625 19682 9085 1 18 . 1 1 73 73 THR CB C 73 69.019 69.019 69.243 -0.224 19682 9086 1 18 . 1 1 73 73 THR H H 73 8.694 8.694 8.421 0.273 19682 9087 1 18 . 1 1 74 74 SER N N 74 114.234 114.234 115.150 -0.916 19682 9088 1 18 . 1 1 74 74 SER HA H 74 4.584 4.584 4.636 -0.052 19682 9089 1 18 . 1 1 74 74 SER C C 74 172.833 172.833 173.229 -0.396 19682 9090 1 18 . 1 1 74 74 SER CA C 74 56.827 56.827 57.391 -0.564 19682 9091 1 18 . 1 1 74 74 SER CB C 74 64.678 64.678 65.296 -0.618 19682 9092 1 18 . 1 1 74 74 SER H H 74 7.503 7.503 7.619 -0.116 19682 9093 1 18 . 1 1 75 75 ILE N N 75 123.720 123.720 123.796 -0.076 19682 9094 1 18 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.202 -0.123 19682 9095 1 18 . 1 1 75 75 ILE C C 75 174.819 174.819 175.363 -0.544 19682 9096 1 18 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.958 -1.350 19682 9097 1 18 . 1 1 75 75 ILE CB C 75 37.788 37.788 38.141 -0.353 19682 9098 1 18 . 1 1 75 75 ILE H H 75 8.498 8.498 8.409 0.089 19682 9099 1 18 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.731 -0.323 19682 9100 1 18 . 1 1 76 76 PRO C C 76 176.339 176.339 176.501 -0.162 19682 9101 1 18 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.266 0.738 19682 9102 1 18 . 1 1 76 76 PRO CB C 76 32.136 32.136 29.873 2.263 19682 9103 1 18 . 1 1 77 77 LYS N N 77 121.662 121.662 117.422 4.240 19682 9104 1 18 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.912 0.423 19682 9105 1 18 . 1 1 77 77 LYS C C 77 177.278 177.278 176.690 0.588 19682 9106 1 18 . 1 1 77 77 LYS CA C 77 56.298 56.298 58.931 -2.633 19682 9107 1 18 . 1 1 77 77 LYS CB C 77 32.777 32.777 30.886 1.891 19682 9108 1 18 . 1 1 77 77 LYS H H 77 8.516 8.516 8.165 0.351 19682 9109 1 18 . 1 1 78 78 GLY N N 78 110.250 110.250 105.308 4.942 19682 9110 1 18 . 1 1 78 78 GLY C C 78 172.995 172.995 175.254 -2.259 19682 9111 1 18 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.446 -0.900 19682 9112 1 18 . 1 1 78 78 GLY H H 78 8.150 8.150 8.104 0.046 19682 9113 1 18 . 1 1 79 79 GLU N N 79 121.820 121.820 122.982 -1.162 19682 9114 1 18 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.343 0.026 19682 9115 1 18 . 1 1 79 79 GLU C C 79 175.847 175.847 175.446 0.401 19682 9116 1 18 . 1 1 79 79 GLU CA C 79 56.977 56.977 55.408 1.569 19682 9117 1 18 . 1 1 79 79 GLU CB C 79 30.638 30.638 28.889 1.749 19682 9118 1 18 . 1 1 79 79 GLU H H 79 8.342 8.342 8.262 0.080 19682 9119 1 18 . 1 1 80 80 TRP N N 80 126.690 126.690 121.712 4.978 19682 9120 1 18 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.850 -0.336 19682 9121 1 18 . 1 1 80 80 TRP C C 80 172.733 172.733 173.895 -1.162 19682 9122 1 18 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.736 2.832 19682 9123 1 18 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.369 -0.960 19682 9124 1 18 . 1 1 80 80 TRP H H 80 9.370 9.370 7.733 1.637 19682 9125 1 18 . 1 1 81 81 LEU N N 81 125.572 125.572 128.154 -2.582 19682 9126 1 18 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.258 0.763 19682 9127 1 18 . 1 1 81 81 LEU C C 81 174.617 174.617 175.839 -1.222 19682 9128 1 18 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.647 -1.213 19682 9129 1 18 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.427 1.433 19682 9130 1 18 . 1 1 81 81 LEU H H 81 6.540 6.540 7.878 -1.338 19682 9131 1 18 . 1 1 82 82 CYS N N 82 125.868 125.868 120.826 5.042 19682 9132 1 18 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.932 -0.403 19682 9133 1 18 . 1 1 82 82 CYS C C 82 172.652 172.652 175.284 -2.632 19682 9134 1 18 . 1 1 82 82 CYS CA C 82 56.562 56.562 54.852 1.710 19682 9135 1 18 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.722 2.822 19682 9136 1 18 . 1 1 82 82 CYS H H 82 9.086 9.086 7.987 1.099 19682 9137 1 18 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.042 0.026 19682 9138 1 18 . 1 1 83 83 PRO C C 83 178.541 178.541 178.376 0.165 19682 9139 1 18 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.054 0.213 19682 9140 1 18 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.895 0.314 19682 9141 1 18 . 1 1 84 84 ARG N N 84 117.140 117.140 119.188 -2.048 19682 9142 1 18 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.133 0.064 19682 9143 1 18 . 1 1 84 84 ARG C C 84 177.983 177.983 178.244 -0.261 19682 9144 1 18 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.864 -0.327 19682 9145 1 18 . 1 1 84 84 ARG CB C 84 30.815 30.815 28.809 2.006 19682 9146 1 18 . 1 1 84 84 ARG H H 84 8.041 8.041 8.025 0.016 19682 9147 1 18 . 1 1 85 85 CYS N N 85 123.417 123.417 118.357 5.060 19682 9148 1 18 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.241 -0.338 19682 9149 1 18 . 1 1 85 85 CYS C C 85 177.298 177.298 177.047 0.251 19682 9150 1 18 . 1 1 85 85 CYS CA C 85 64.168 64.168 62.663 1.505 19682 9151 1 18 . 1 1 85 85 CYS CB C 85 30.038 30.038 25.683 4.356 19682 9152 1 18 . 1 1 85 85 CYS H H 85 8.210 8.210 7.603 0.607 19682 9153 1 18 . 1 1 86 86 VAL N N 86 118.037 118.037 118.677 -0.640 19682 9154 1 18 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.711 -0.071 19682 9155 1 18 . 1 1 86 86 VAL C C 86 176.623 176.623 177.380 -0.757 19682 9156 1 18 . 1 1 86 86 VAL CA C 86 64.508 64.508 66.198 -1.690 19682 9157 1 18 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.227 0.575 19682 9158 1 18 . 1 1 86 86 VAL H H 86 7.951 7.951 7.369 0.582 19682 9159 1 18 . 1 1 87 87 VAL N N 87 119.227 119.227 112.215 7.012 19682 9160 1 18 . 1 1 87 87 VAL HA H 87 3.976 3.976 4.062 -0.086 19682 9161 1 18 . 1 1 87 87 VAL C C 87 176.774 176.774 177.351 -0.577 19682 9162 1 18 . 1 1 87 87 VAL CA C 87 63.182 63.182 63.849 -0.667 19682 9163 1 18 . 1 1 87 87 VAL CB C 87 32.210 32.210 32.443 -0.233 19682 9164 1 18 . 1 1 87 87 VAL H H 87 7.255 7.255 7.234 0.021 19682 9165 1 18 . 1 1 88 88 GLU N N 88 122.469 122.469 120.847 1.622 19682 9166 1 18 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.241 -0.042 19682 9167 1 18 . 1 1 88 88 GLU C C 88 176.623 176.623 177.393 -0.770 19682 9168 1 18 . 1 1 88 88 GLU CA C 88 56.950 56.950 57.347 -0.397 19682 9169 1 18 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.248 -0.158 19682 9170 1 18 . 1 1 88 88 GLU H H 88 7.986 7.986 8.357 -0.370 19682 9171 1 18 . 1 1 89 89 GLU N N 89 121.343 121.343 121.394 -0.051 19682 9172 1 18 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.385 -0.196 19682 9173 1 18 . 1 1 89 89 GLU C C 89 176.744 176.744 175.683 1.061 19682 9174 1 18 . 1 1 89 89 GLU CA C 89 56.956 56.956 55.796 1.160 19682 9175 1 18 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.785 0.127 19682 9176 1 18 . 1 1 89 89 GLU H H 89 8.168 8.168 7.728 0.440 19682 9177 1 18 . 1 1 90 90 VAL N N 90 120.127 120.127 127.338 -7.211 19682 9178 1 18 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.076 0.008 19682 9179 1 18 . 1 1 90 90 VAL C C 90 176.290 176.290 176.029 0.261 19682 9180 1 18 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.137 0.455 19682 9181 1 18 . 1 1 90 90 VAL CB C 90 32.527 32.527 30.962 1.565 19682 9182 1 18 . 1 1 90 90 VAL H H 90 8.027 8.027 8.507 -0.480 19682 9183 1 18 . 1 1 91 91 SER N N 91 118.678 118.678 123.571 -4.893 19682 9184 1 18 . 1 1 91 91 SER HA H 91 4.439 4.439 4.245 0.194 19682 9185 1 18 . 1 1 91 91 SER C C 91 173.932 173.932 174.863 -0.931 19682 9186 1 18 . 1 1 91 91 SER CA C 91 58.189 58.189 60.361 -2.172 19682 9187 1 18 . 1 1 91 91 SER CB C 91 63.706 63.706 63.645 0.061 19682 9188 1 18 . 1 1 91 91 SER H H 91 8.222 8.222 8.525 -0.303 19682 9189 1 18 . 1 1 92 92 LYS N N 92 124.547 124.547 120.888 3.659 19682 9190 1 18 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.706 -0.099 19682 9191 1 18 . 1 1 92 92 LYS C C 92 174.395 174.395 174.145 0.250 19682 9192 1 18 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.346 0.926 19682 9193 1 18 . 1 1 92 92 LYS CB C 92 32.646 32.646 33.417 -0.771 19682 9194 1 18 . 1 1 92 92 LYS H H 92 8.165 8.165 8.006 0.159 19682 9195 1 18 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.398 0.021 19682 9196 1 18 . 1 1 93 93 PRO C C 93 176.194 176.194 176.230 -0.036 19682 9197 1 18 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.141 0.277 19682 9198 1 18 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.626 0.270 19682 9199 1 19 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.664 0.086 19682 9200 1 19 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.237 1.055 19682 9201 1 19 . 1 1 2 2 HIS CB C 2 30.558 30.558 29.378 1.180 19682 9202 1 19 . 1 1 2 2 HIS H H 2 8.134 8.134 8.768 -0.634 19682 9203 1 19 . 1 1 3 3 MET N N 3 123.164 123.164 127.371 -4.207 19682 9204 1 19 . 1 1 3 3 MET HA H 3 4.494 4.494 4.462 0.032 19682 9205 1 19 . 1 1 3 3 MET C C 3 176.078 176.078 175.886 0.192 19682 9206 1 19 . 1 1 3 3 MET CA C 3 55.504 55.504 55.150 0.354 19682 9207 1 19 . 1 1 3 3 MET CB C 3 32.860 32.860 32.430 0.430 19682 9208 1 19 . 1 1 3 3 MET H H 3 8.419 8.419 8.665 -0.246 19682 9209 1 19 . 1 1 4 4 SER N N 4 117.403 117.403 121.232 -3.829 19682 9210 1 19 . 1 1 4 4 SER HA H 4 4.439 4.439 4.567 -0.128 19682 9211 1 19 . 1 1 4 4 SER C C 4 175.011 175.011 175.611 -0.600 19682 9212 1 19 . 1 1 4 4 SER CA C 4 58.516 58.516 57.537 0.979 19682 9213 1 19 . 1 1 4 4 SER CB C 4 63.773 63.773 62.107 1.666 19682 9214 1 19 . 1 1 4 4 SER H H 4 8.416 8.416 8.405 0.011 19682 9215 1 19 . 1 1 5 5 GLY N N 5 111.174 111.174 114.320 -3.146 19682 9216 1 19 . 1 1 5 5 GLY C C 5 174.567 174.567 174.475 0.092 19682 9217 1 19 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.511 0.674 19682 9218 1 19 . 1 1 5 5 GLY H H 5 8.475 8.475 8.277 0.198 19682 9219 1 19 . 1 1 6 6 GLY N N 6 108.594 108.594 112.279 -3.685 19682 9220 1 19 . 1 1 6 6 GLY C C 6 173.781 173.781 173.813 -0.032 19682 9221 1 19 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.672 -0.689 19682 9222 1 19 . 1 1 6 6 GLY H H 6 8.274 8.274 8.103 0.171 19682 9223 1 19 . 1 1 7 7 SER N N 7 116.558 116.558 114.852 1.706 19682 9224 1 19 . 1 1 7 7 SER C C 7 172.995 172.995 171.898 1.097 19682 9225 1 19 . 1 1 7 7 SER CA C 7 56.387 56.387 56.665 -0.278 19682 9226 1 19 . 1 1 7 7 SER CB C 7 63.508 63.508 64.006 -0.498 19682 9227 1 19 . 1 1 7 7 SER H H 7 8.220 8.220 7.875 0.345 19682 9228 1 19 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.472 -0.018 19682 9229 1 19 . 1 1 8 8 PRO C C 8 176.864 176.864 176.826 0.038 19682 9230 1 19 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.921 0.428 19682 9231 1 19 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.302 -0.292 19682 9232 1 19 . 1 1 9 9 LEU N N 9 121.497 121.497 125.752 -4.255 19682 9233 1 19 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.324 -0.020 19682 9234 1 19 . 1 1 9 9 LEU C C 9 177.237 177.237 176.812 0.425 19682 9235 1 19 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.461 0.562 19682 9236 1 19 . 1 1 9 9 LEU CB C 9 42.353 42.353 39.993 2.360 19682 9237 1 19 . 1 1 9 9 LEU H H 9 8.196 8.196 8.557 -0.361 19682 9238 1 19 . 1 1 10 10 ALA N N 10 124.964 124.964 127.760 -2.796 19682 9239 1 19 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.409 -0.007 19682 9240 1 19 . 1 1 10 10 ALA C C 10 177.812 177.812 177.513 0.299 19682 9241 1 19 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.723 0.685 19682 9242 1 19 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.255 0.983 19682 9243 1 19 . 1 1 10 10 ALA H H 10 8.242 8.242 8.170 0.072 19682 9244 1 19 . 1 1 11 11 THR N N 11 112.852 112.852 121.191 -8.339 19682 9245 1 19 . 1 1 11 11 THR HA H 11 4.341 4.341 4.248 0.093 19682 9246 1 19 . 1 1 11 11 THR C C 11 175.181 175.181 174.791 0.390 19682 9247 1 19 . 1 1 11 11 THR CA C 11 61.870 61.870 62.877 -1.007 19682 9248 1 19 . 1 1 11 11 THR CB C 11 69.622 69.622 68.163 1.459 19682 9249 1 19 . 1 1 11 11 THR H H 11 8.081 8.081 7.935 0.146 19682 9250 1 19 . 1 1 12 12 GLY N N 12 110.929 110.929 113.802 -2.873 19682 9251 1 19 . 1 1 12 12 GLY C C 12 174.395 174.395 174.640 -0.245 19682 9252 1 19 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.801 0.575 19682 9253 1 19 . 1 1 12 12 GLY H H 12 8.408 8.408 7.847 0.561 19682 9254 1 19 . 1 1 13 13 THR N N 13 113.482 113.482 116.918 -3.436 19682 9255 1 19 . 1 1 13 13 THR HA H 13 4.445 4.445 4.211 0.234 19682 9256 1 19 . 1 1 13 13 THR C C 13 174.889 174.889 174.804 0.085 19682 9257 1 19 . 1 1 13 13 THR CA C 13 61.816 61.816 62.303 -0.487 19682 9258 1 19 . 1 1 13 13 THR CB C 13 69.812 69.812 68.285 1.527 19682 9259 1 19 . 1 1 13 13 THR H H 13 8.130 8.130 8.398 -0.268 19682 9260 1 19 . 1 1 14 14 THR N N 14 116.080 116.080 124.003 -7.923 19682 9261 1 19 . 1 1 14 14 THR HA H 14 4.370 4.370 4.454 -0.084 19682 9262 1 19 . 1 1 14 14 THR C C 14 174.385 174.385 173.472 0.913 19682 9263 1 19 . 1 1 14 14 THR CA C 14 61.788 61.788 62.545 -0.757 19682 9264 1 19 . 1 1 14 14 THR CB C 14 69.696 69.696 68.619 1.077 19682 9265 1 19 . 1 1 14 14 THR H H 14 8.199 8.199 8.117 0.082 19682 9266 1 19 . 1 1 15 15 ALA N N 15 126.054 126.054 129.479 -3.425 19682 9267 1 19 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.410 -0.108 19682 9268 1 19 . 1 1 15 15 ALA C C 15 177.469 177.469 175.649 1.820 19682 9269 1 19 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.885 0.962 19682 9270 1 19 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.997 -0.813 19682 9271 1 19 . 1 1 15 15 ALA H H 15 8.349 8.349 8.299 0.050 19682 9272 1 19 . 1 1 16 16 ASN N N 16 117.718 117.718 121.663 -3.945 19682 9273 1 19 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.780 -0.036 19682 9274 1 19 . 1 1 16 16 ASN C C 16 175.575 175.575 175.248 0.327 19682 9275 1 19 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.600 0.597 19682 9276 1 19 . 1 1 16 16 ASN CB C 16 38.732 38.732 38.939 -0.207 19682 9277 1 19 . 1 1 16 16 ASN H H 16 8.403 8.403 8.389 0.014 19682 9278 1 19 . 1 1 17 17 THR N N 17 114.153 114.153 120.311 -6.158 19682 9279 1 19 . 1 1 17 17 THR HA H 17 4.312 4.312 4.338 -0.026 19682 9280 1 19 . 1 1 17 17 THR C C 17 174.799 174.799 174.536 0.263 19682 9281 1 19 . 1 1 17 17 THR CA C 17 61.973 61.973 62.465 -0.492 19682 9282 1 19 . 1 1 17 17 THR CB C 17 69.624 69.624 68.898 0.726 19682 9283 1 19 . 1 1 17 17 THR H H 17 8.081 8.081 8.488 -0.407 19682 9284 1 19 . 1 1 18 18 ARG N N 18 122.990 122.990 125.379 -2.389 19682 9285 1 19 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.535 -0.210 19682 9286 1 19 . 1 1 18 18 ARG C C 18 176.875 176.875 176.317 0.558 19682 9287 1 19 . 1 1 18 18 ARG CA C 18 56.551 56.551 56.195 0.356 19682 9288 1 19 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.172 -0.585 19682 9289 1 19 . 1 1 18 18 ARG H H 18 8.351 8.351 8.452 -0.101 19682 9290 1 19 . 1 1 19 19 GLY N N 19 109.993 109.993 109.435 0.558 19682 9291 1 19 . 1 1 19 19 GLY C C 19 174.002 174.002 173.469 0.533 19682 9292 1 19 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.976 0.338 19682 9293 1 19 . 1 1 19 19 GLY H H 19 8.394 8.394 8.445 -0.051 19682 9294 1 19 . 1 1 20 20 ALA N N 20 123.732 123.732 124.507 -0.775 19682 9295 1 19 . 1 1 20 20 ALA HA H 20 4.342 4.342 5.130 -0.788 19682 9296 1 19 . 1 1 20 20 ALA C C 20 178.034 178.034 176.985 1.049 19682 9297 1 19 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.501 1.149 19682 9298 1 19 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.874 -0.653 19682 9299 1 19 . 1 1 20 20 ALA H H 20 8.185 8.185 8.893 -0.708 19682 9300 1 19 . 1 1 21 21 SER N N 21 114.750 114.750 116.441 -1.691 19682 9301 1 19 . 1 1 21 21 SER HA H 21 4.419 4.419 4.971 -0.552 19682 9302 1 19 . 1 1 21 21 SER C C 21 174.627 174.627 173.541 1.086 19682 9303 1 19 . 1 1 21 21 SER CA C 21 58.495 58.495 57.951 0.544 19682 9304 1 19 . 1 1 21 21 SER CB C 21 63.697 63.697 64.070 -0.373 19682 9305 1 19 . 1 1 21 21 SER H H 21 8.319 8.319 8.651 -0.332 19682 9306 1 19 . 1 1 22 22 GLN N N 22 122.092 122.092 122.365 -0.273 19682 9307 1 19 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.608 -0.264 19682 9308 1 19 . 1 1 22 22 GLN C C 22 175.857 175.857 174.320 1.537 19682 9309 1 19 . 1 1 22 22 GLN CA C 22 55.775 55.775 54.983 0.793 19682 9310 1 19 . 1 1 22 22 GLN CB C 22 29.398 29.398 31.571 -2.173 19682 9311 1 19 . 1 1 22 22 GLN H H 22 8.343 8.343 8.263 0.080 19682 9312 1 19 . 1 1 23 23 LYS N N 23 122.663 122.663 123.508 -0.845 19682 9313 1 19 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.376 -0.079 19682 9314 1 19 . 1 1 23 23 LYS C C 23 176.502 176.502 175.930 0.572 19682 9315 1 19 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.341 -0.026 19682 9316 1 19 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.329 0.719 19682 9317 1 19 . 1 1 23 23 LYS H H 23 8.309 8.309 8.581 -0.272 19682 9318 1 19 . 1 1 24 24 LYS N N 24 123.434 123.434 125.842 -2.408 19682 9319 1 19 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.512 -0.186 19682 9320 1 19 . 1 1 24 24 LYS C C 24 177.026 177.026 175.936 1.090 19682 9321 1 19 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.375 -0.016 19682 9322 1 19 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.067 -0.074 19682 9323 1 19 . 1 1 24 24 LYS H H 24 8.469 8.469 8.557 -0.088 19682 9324 1 19 . 1 1 25 25 GLY N N 25 110.813 110.813 111.003 -0.190 19682 9325 1 19 . 1 1 25 25 GLY C C 25 174.476 174.476 174.589 -0.113 19682 9326 1 19 . 1 1 25 25 GLY CA C 25 45.274 45.274 45.247 0.027 19682 9327 1 19 . 1 1 25 25 GLY H H 25 8.531 8.531 8.788 -0.257 19682 9328 1 19 . 1 1 26 26 GLY N N 26 108.690 108.690 108.407 0.283 19682 9329 1 19 . 1 1 26 26 GLY C C 26 173.851 173.851 173.834 0.017 19682 9330 1 19 . 1 1 26 26 GLY CA C 26 45.069 45.069 45.518 -0.449 19682 9331 1 19 . 1 1 26 26 GLY H H 26 8.279 8.279 7.873 0.406 19682 9332 1 19 . 1 1 27 27 GLU N N 27 121.707 121.707 122.686 -0.979 19682 9333 1 19 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.189 0.395 19682 9334 1 19 . 1 1 27 27 GLU C C 27 174.204 174.204 174.123 0.081 19682 9335 1 19 . 1 1 27 27 GLU CA C 27 54.440 54.440 55.854 -1.414 19682 9336 1 19 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.315 -0.878 19682 9337 1 19 . 1 1 27 27 GLU H H 27 8.321 8.321 8.164 0.157 19682 9338 1 19 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.743 -0.349 19682 9339 1 19 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.445 1.366 19682 9340 1 19 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.393 0.765 19682 9341 1 19 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.361 0.036 19682 9342 1 19 . 1 1 29 29 PRO C C 29 176.462 176.462 175.992 0.470 19682 9343 1 19 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.987 -0.143 19682 9344 1 19 . 1 1 29 29 PRO CB C 29 31.961 31.961 30.526 1.435 19682 9345 1 19 . 1 1 30 30 ALA N N 30 123.850 123.850 125.611 -1.761 19682 9346 1 19 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.367 -0.093 19682 9347 1 19 . 1 1 30 30 ALA C C 30 177.368 177.368 176.143 1.225 19682 9348 1 19 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.819 -0.562 19682 9349 1 19 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.734 -0.497 19682 9350 1 19 . 1 1 30 30 ALA H H 30 8.290 8.290 8.082 0.208 19682 9351 1 19 . 1 1 31 31 LEU N N 31 121.430 121.430 121.025 0.405 19682 9352 1 19 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.672 -0.339 19682 9353 1 19 . 1 1 31 31 LEU C C 31 176.804 176.804 175.713 1.091 19682 9354 1 19 . 1 1 31 31 LEU CA C 31 55.015 55.015 55.400 -0.385 19682 9355 1 19 . 1 1 31 31 LEU CB C 31 42.444 42.444 41.808 0.636 19682 9356 1 19 . 1 1 31 31 LEU H H 31 8.139 8.139 8.011 0.128 19682 9357 1 19 . 1 1 32 32 ILE N N 32 123.070 123.070 125.218 -2.148 19682 9358 1 19 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.431 -0.263 19682 9359 1 19 . 1 1 32 32 ILE C C 32 175.887 175.887 174.391 1.496 19682 9360 1 19 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.423 -0.733 19682 9361 1 19 . 1 1 32 32 ILE CB C 32 38.477 38.477 39.405 -0.928 19682 9362 1 19 . 1 1 32 32 ILE H H 32 8.140 8.140 8.113 0.027 19682 9363 1 19 . 1 1 33 33 VAL N N 33 124.923 124.923 125.730 -0.807 19682 9364 1 19 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.355 -0.268 19682 9365 1 19 . 1 1 33 33 VAL C C 33 175.232 175.232 174.288 0.944 19682 9366 1 19 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.484 -0.633 19682 9367 1 19 . 1 1 33 33 VAL CB C 33 32.920 32.920 33.943 -1.022 19682 9368 1 19 . 1 1 33 33 VAL H H 33 8.198 8.198 8.277 -0.079 19682 9369 1 19 . 1 1 34 34 ASP N N 34 125.813 125.813 127.360 -1.547 19682 9370 1 19 . 1 1 34 34 ASP HA H 34 4.860 4.860 5.019 -0.159 19682 9371 1 19 . 1 1 34 34 ASP C C 34 174.919 174.919 174.654 0.265 19682 9372 1 19 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.700 -0.774 19682 9373 1 19 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.528 -0.024 19682 9374 1 19 . 1 1 34 34 ASP H H 34 8.336 8.336 8.305 0.031 19682 9375 1 19 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.457 -0.093 19682 9376 1 19 . 1 1 35 35 PRO C C 35 177.091 177.091 176.102 0.989 19682 9377 1 19 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.398 0.116 19682 9378 1 19 . 1 1 35 35 PRO CB C 35 32.173 32.173 31.987 0.186 19682 9379 1 19 . 1 1 36 36 LEU N N 36 119.977 119.977 120.254 -0.277 19682 9380 1 19 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.209 0.047 19682 9381 1 19 . 1 1 36 36 LEU C C 36 177.479 177.479 176.452 1.027 19682 9382 1 19 . 1 1 36 36 LEU CA C 36 55.226 55.226 55.357 -0.131 19682 9383 1 19 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.439 1.196 19682 9384 1 19 . 1 1 36 36 LEU H H 36 8.316 8.316 7.661 0.655 19682 9385 1 19 . 1 1 37 37 MET N N 37 120.231 120.231 121.481 -1.250 19682 9386 1 19 . 1 1 37 37 MET HA H 37 4.326 4.326 4.565 -0.239 19682 9387 1 19 . 1 1 37 37 MET C C 37 175.171 175.171 175.527 -0.356 19682 9388 1 19 . 1 1 37 37 MET CA C 37 55.160 55.160 55.446 -0.286 19682 9389 1 19 . 1 1 37 37 MET CB C 37 32.514 32.514 33.693 -1.179 19682 9390 1 19 . 1 1 37 37 MET H H 37 7.893 7.893 8.233 -0.340 19682 9391 1 19 . 1 1 38 38 LYS N N 38 122.361 122.361 119.282 3.079 19682 9392 1 19 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.509 -0.349 19682 9393 1 19 . 1 1 38 38 LYS C C 38 175.837 175.837 176.212 -0.375 19682 9394 1 19 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.278 0.827 19682 9395 1 19 . 1 1 38 38 LYS CB C 38 33.214 33.214 34.153 -0.938 19682 9396 1 19 . 1 1 38 38 LYS H H 38 7.929 7.929 7.438 0.491 19682 9397 1 19 . 1 1 39 39 TYR N N 39 120.347 120.347 119.824 0.523 19682 9398 1 19 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.282 0.288 19682 9399 1 19 . 1 1 39 39 TYR C C 39 174.325 174.325 176.450 -2.125 19682 9400 1 19 . 1 1 39 39 TYR CA C 39 57.424 57.424 59.514 -2.090 19682 9401 1 19 . 1 1 39 39 TYR CB C 39 38.609 38.609 38.852 -0.243 19682 9402 1 19 . 1 1 39 39 TYR H H 39 8.020 8.020 8.558 -0.538 19682 9403 1 19 . 1 1 40 40 ILE N N 40 119.688 119.688 115.186 4.502 19682 9404 1 19 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.811 0.164 19682 9405 1 19 . 1 1 40 40 ILE C C 40 175.181 175.181 175.324 -0.143 19682 9406 1 19 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.401 -2.821 19682 9407 1 19 . 1 1 40 40 ILE CB C 40 39.694 39.694 36.820 2.874 19682 9408 1 19 . 1 1 40 40 ILE H H 40 8.000 8.000 7.628 0.372 19682 9409 1 19 . 1 1 41 41 CYS N N 41 129.049 129.049 127.266 1.783 19682 9410 1 19 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.471 -0.499 19682 9411 1 19 . 1 1 41 41 CYS C C 41 177.197 177.197 176.427 0.770 19682 9412 1 19 . 1 1 41 41 CYS CA C 41 59.057 59.057 57.493 1.564 19682 9413 1 19 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.220 6.154 19682 9414 1 19 . 1 1 41 41 CYS H H 41 7.990 7.990 8.515 -0.525 19682 9415 1 19 . 1 1 42 42 HIS N N 42 127.633 127.633 127.828 -0.195 19682 9416 1 19 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.127 0.005 19682 9417 1 19 . 1 1 42 42 HIS C C 42 174.385 174.385 175.802 -1.417 19682 9418 1 19 . 1 1 42 42 HIS CA C 42 57.991 57.991 59.823 -1.832 19682 9419 1 19 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.787 -1.087 19682 9420 1 19 . 1 1 42 42 HIS H H 42 8.933 8.933 8.022 0.911 19682 9421 1 19 . 1 1 43 43 ILE N N 43 119.482 119.482 118.123 1.359 19682 9422 1 19 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.941 0.224 19682 9423 1 19 . 1 1 43 43 ILE C C 43 176.673 176.673 177.310 -0.637 19682 9424 1 19 . 1 1 43 43 ILE CA C 43 62.122 62.122 63.398 -1.276 19682 9425 1 19 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.376 -0.042 19682 9426 1 19 . 1 1 43 43 ILE H H 43 8.944 8.944 8.350 0.594 19682 9427 1 19 . 1 1 44 44 CYS N N 44 117.996 117.996 113.070 4.926 19682 9428 1 19 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.740 0.144 19682 9429 1 19 . 1 1 44 44 CYS C C 44 176.008 176.008 175.352 0.656 19682 9430 1 19 . 1 1 44 44 CYS CA C 44 59.001 59.001 57.409 1.592 19682 9431 1 19 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.517 2.538 19682 9432 1 19 . 1 1 44 44 CYS H H 44 8.221 8.221 8.117 0.104 19682 9433 1 19 . 1 1 45 45 ASN N N 45 117.410 117.410 115.824 1.586 19682 9434 1 19 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.255 0.132 19682 9435 1 19 . 1 1 45 45 ASN C C 45 173.893 173.893 174.052 -0.159 19682 9436 1 19 . 1 1 45 45 ASN CA C 45 55.014 55.014 54.795 0.219 19682 9437 1 19 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.636 0.218 19682 9438 1 19 . 1 1 45 45 ASN H H 45 8.040 8.040 8.401 -0.361 19682 9439 1 19 . 1 1 46 46 ARG N N 46 117.127 117.127 120.965 -3.838 19682 9440 1 19 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.457 0.263 19682 9441 1 19 . 1 1 46 46 ARG C C 46 176.865 176.865 175.672 1.193 19682 9442 1 19 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.954 0.473 19682 9443 1 19 . 1 1 46 46 ARG CB C 46 34.152 34.152 29.455 4.697 19682 9444 1 19 . 1 1 46 46 ARG H H 46 8.201 8.201 7.294 0.907 19682 9445 1 19 . 1 1 47 47 GLY N N 47 109.334 109.334 112.225 -2.891 19682 9446 1 19 . 1 1 47 47 GLY C C 47 173.670 173.670 172.981 0.689 19682 9447 1 19 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.637 0.380 19682 9448 1 19 . 1 1 47 47 GLY H H 47 8.902 8.902 8.843 0.059 19682 9449 1 19 . 1 1 48 48 ASP N N 48 117.908 117.908 121.030 -3.122 19682 9450 1 19 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.706 -0.006 19682 9451 1 19 . 1 1 48 48 ASP C C 48 173.871 173.871 175.300 -1.429 19682 9452 1 19 . 1 1 48 48 ASP CA C 48 52.409 52.409 54.950 -2.541 19682 9453 1 19 . 1 1 48 48 ASP CB C 48 40.859 40.859 42.399 -1.540 19682 9454 1 19 . 1 1 48 48 ASP H H 48 8.046 8.046 8.207 -0.161 19682 9455 1 19 . 1 1 49 49 VAL N N 49 117.921 117.921 122.711 -4.790 19682 9456 1 19 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.280 -0.577 19682 9457 1 19 . 1 1 49 49 VAL C C 49 177.096 177.096 175.824 1.272 19682 9458 1 19 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.131 0.360 19682 9459 1 19 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.889 -1.466 19682 9460 1 19 . 1 1 49 49 VAL H H 49 8.772 8.772 8.050 0.722 19682 9461 1 19 . 1 1 50 50 GLU N N 50 120.434 120.434 124.850 -4.416 19682 9462 1 19 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.078 -0.246 19682 9463 1 19 . 1 1 50 50 GLU C C 50 178.779 178.779 178.234 0.545 19682 9464 1 19 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.517 1.403 19682 9465 1 19 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.351 -0.214 19682 9466 1 19 . 1 1 50 50 GLU H H 50 9.047 9.047 8.372 0.675 19682 9467 1 19 . 1 1 51 51 GLU N N 51 119.158 119.158 120.159 -1.001 19682 9468 1 19 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.037 0.270 19682 9469 1 19 . 1 1 51 51 GLU C C 51 177.358 177.358 177.178 0.180 19682 9470 1 19 . 1 1 51 51 GLU CA C 51 58.256 58.256 59.162 -0.906 19682 9471 1 19 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.423 -1.198 19682 9472 1 19 . 1 1 51 51 GLU H H 51 9.822 9.822 8.610 1.212 19682 9473 1 19 . 1 1 52 52 SER N N 52 116.430 116.430 111.682 4.748 19682 9474 1 19 . 1 1 52 52 SER HA H 52 4.716 4.716 4.519 0.197 19682 9475 1 19 . 1 1 52 52 SER C C 52 172.309 172.309 173.183 -0.874 19682 9476 1 19 . 1 1 52 52 SER CA C 52 57.745 57.745 57.768 -0.023 19682 9477 1 19 . 1 1 52 52 SER CB C 52 64.494 64.494 63.732 0.762 19682 9478 1 19 . 1 1 52 52 SER H H 52 8.291 8.291 8.278 0.013 19682 9479 1 19 . 1 1 53 53 MET N N 53 121.812 121.812 121.602 0.210 19682 9480 1 19 . 1 1 53 53 MET HA H 53 4.577 4.577 4.790 -0.213 19682 9481 1 19 . 1 1 53 53 MET C C 53 174.385 174.385 175.116 -0.731 19682 9482 1 19 . 1 1 53 53 MET CA C 53 54.784 54.784 55.074 -0.290 19682 9483 1 19 . 1 1 53 53 MET CB C 53 33.410 33.410 34.079 -0.669 19682 9484 1 19 . 1 1 53 53 MET H H 53 7.648 7.648 7.301 0.347 19682 9485 1 19 . 1 1 54 54 LEU N N 54 128.167 128.167 126.349 1.818 19682 9486 1 19 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.616 -0.368 19682 9487 1 19 . 1 1 54 54 LEU C C 54 175.111 175.111 175.479 -0.368 19682 9488 1 19 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.711 -0.087 19682 9489 1 19 . 1 1 54 54 LEU CB C 54 43.759 43.759 43.829 -0.070 19682 9490 1 19 . 1 1 54 54 LEU H H 54 9.007 9.007 8.778 0.229 19682 9491 1 19 . 1 1 55 55 LEU N N 55 122.173 122.173 121.110 1.063 19682 9492 1 19 . 1 1 55 55 LEU HA H 55 4.805 4.805 5.182 -0.377 19682 9493 1 19 . 1 1 55 55 LEU C C 55 176.260 176.260 176.223 0.037 19682 9494 1 19 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.478 -0.231 19682 9495 1 19 . 1 1 55 55 LEU CB C 55 43.273 43.273 44.052 -0.779 19682 9496 1 19 . 1 1 55 55 LEU H H 55 8.139 8.139 8.483 -0.344 19682 9497 1 19 . 1 1 56 56 CYS N N 56 126.541 126.541 124.941 1.600 19682 9498 1 19 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.962 -0.236 19682 9499 1 19 . 1 1 56 56 CYS C C 56 177.671 177.671 176.047 1.624 19682 9500 1 19 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.344 1.876 19682 9501 1 19 . 1 1 56 56 CYS CB C 56 31.083 31.083 27.660 3.423 19682 9502 1 19 . 1 1 56 56 CYS H H 56 8.996 8.996 8.562 0.434 19682 9503 1 19 . 1 1 57 57 ASP N N 57 130.338 130.338 127.858 2.480 19682 9504 1 19 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.516 0.151 19682 9505 1 19 . 1 1 57 57 ASP C C 57 176.159 176.159 177.727 -1.568 19682 9506 1 19 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.616 0.841 19682 9507 1 19 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.644 0.557 19682 9508 1 19 . 1 1 57 57 ASP H H 57 9.373 9.373 8.449 0.924 19682 9509 1 19 . 1 1 58 58 GLY N N 58 114.137 114.137 105.830 8.307 19682 9510 1 19 . 1 1 58 58 GLY C C 58 174.801 174.801 174.408 0.393 19682 9511 1 19 . 1 1 58 58 GLY CA C 58 45.982 45.982 45.280 0.702 19682 9512 1 19 . 1 1 58 58 GLY H H 58 10.023 10.023 8.282 1.741 19682 9513 1 19 . 1 1 59 59 CYS N N 59 120.775 120.775 114.455 6.320 19682 9514 1 19 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.542 0.349 19682 9515 1 19 . 1 1 59 59 CYS C C 59 175.564 175.564 172.367 3.197 19682 9516 1 19 . 1 1 59 59 CYS CA C 59 58.741 58.741 56.785 1.956 19682 9517 1 19 . 1 1 59 59 CYS CB C 59 33.079 33.079 28.775 4.304 19682 9518 1 19 . 1 1 59 59 CYS H H 59 8.132 8.132 7.152 0.980 19682 9519 1 19 . 1 1 60 60 ASP N N 60 119.232 119.232 122.375 -3.143 19682 9520 1 19 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.702 -0.013 19682 9521 1 19 . 1 1 60 60 ASP C C 60 174.738 174.738 174.727 0.011 19682 9522 1 19 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.708 1.757 19682 9523 1 19 . 1 1 60 60 ASP CB C 60 41.041 41.041 40.657 0.384 19682 9524 1 19 . 1 1 60 60 ASP H H 60 8.085 8.085 8.435 -0.350 19682 9525 1 19 . 1 1 61 61 ASP N N 61 121.704 121.704 125.323 -3.619 19682 9526 1 19 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.924 -0.075 19682 9527 1 19 . 1 1 61 61 ASP C C 61 175.454 175.454 174.674 0.780 19682 9528 1 19 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.201 2.292 19682 9529 1 19 . 1 1 61 61 ASP CB C 61 42.194 42.194 45.802 -3.608 19682 9530 1 19 . 1 1 61 61 ASP H H 61 8.703 8.703 7.903 0.800 19682 9531 1 19 . 1 1 62 62 SER N N 62 113.381 113.381 115.500 -2.119 19682 9532 1 19 . 1 1 62 62 SER HA H 62 5.703 5.703 5.756 -0.053 19682 9533 1 19 . 1 1 62 62 SER C C 62 173.821 173.821 173.160 0.661 19682 9534 1 19 . 1 1 62 62 SER CA C 62 56.165 56.165 57.547 -1.382 19682 9535 1 19 . 1 1 62 62 SER CB C 62 65.275 65.275 65.703 -0.428 19682 9536 1 19 . 1 1 62 62 SER H H 62 8.313 8.313 8.603 -0.290 19682 9537 1 19 . 1 1 63 63 TYR N N 63 120.467 120.467 122.885 -2.418 19682 9538 1 19 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.490 0.861 19682 9539 1 19 . 1 1 63 63 TYR C C 63 175.393 175.393 174.247 1.146 19682 9540 1 19 . 1 1 63 63 TYR CA C 63 56.687 56.687 57.618 -0.931 19682 9541 1 19 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.839 1.487 19682 9542 1 19 . 1 1 63 63 TYR H H 63 8.815 8.815 8.444 0.371 19682 9543 1 19 . 1 1 64 64 HIS N N 64 121.957 121.957 121.630 0.327 19682 9544 1 19 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.953 -0.103 19682 9545 1 19 . 1 1 64 64 HIS C C 64 178.559 178.559 176.961 1.598 19682 9546 1 19 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.615 1.875 19682 9547 1 19 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.426 0.610 19682 9548 1 19 . 1 1 64 64 HIS H H 64 9.276 9.276 7.940 1.336 19682 9549 1 19 . 1 1 65 65 THR N N 65 113.100 113.100 116.858 -3.758 19682 9550 1 19 . 1 1 65 65 THR HA H 65 3.603 3.603 3.897 -0.294 19682 9551 1 19 . 1 1 65 65 THR C C 65 176.824 176.824 176.184 0.640 19682 9552 1 19 . 1 1 65 65 THR CA C 65 64.805 64.805 65.814 -1.008 19682 9553 1 19 . 1 1 65 65 THR CB C 65 66.441 66.441 68.811 -2.370 19682 9554 1 19 . 1 1 65 65 THR H H 65 8.832 8.832 8.139 0.693 19682 9555 1 19 . 1 1 66 66 PHE N N 66 111.288 111.288 117.114 -5.826 19682 9556 1 19 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.700 0.025 19682 9557 1 19 . 1 1 66 66 PHE C C 66 176.846 176.846 176.086 0.760 19682 9558 1 19 . 1 1 66 66 PHE CA C 66 56.215 56.215 58.608 -2.393 19682 9559 1 19 . 1 1 66 66 PHE CB C 66 37.430 37.430 38.287 -0.857 19682 9560 1 19 . 1 1 66 66 PHE H H 66 6.541 6.541 7.995 -1.454 19682 9561 1 19 . 1 1 67 67 CYS N N 67 123.228 123.228 117.491 5.737 19682 9562 1 19 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.471 0.022 19682 9563 1 19 . 1 1 67 67 CYS C C 67 174.627 174.627 176.005 -1.378 19682 9564 1 19 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.590 2.546 19682 9565 1 19 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.261 3.342 19682 9566 1 19 . 1 1 67 67 CYS H H 67 7.384 7.384 7.151 0.233 19682 9567 1 19 . 1 1 68 68 LEU N N 68 119.645 119.645 121.264 -1.619 19682 9568 1 19 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.201 -0.074 19682 9569 1 19 . 1 1 68 68 LEU C C 68 174.738 174.738 175.906 -1.168 19682 9570 1 19 . 1 1 68 68 LEU CA C 68 55.011 55.011 54.216 0.795 19682 9571 1 19 . 1 1 68 68 LEU CB C 68 44.123 44.123 40.784 3.339 19682 9572 1 19 . 1 1 68 68 LEU H H 68 6.514 6.514 7.266 -0.752 19682 9573 1 19 . 1 1 69 69 LEU N N 69 119.803 119.803 122.502 -2.699 19682 9574 1 19 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.427 0.256 19682 9575 1 19 . 1 1 69 69 LEU C C 69 174.879 174.879 176.834 -1.955 19682 9576 1 19 . 1 1 69 69 LEU CA C 69 51.217 51.217 54.374 -3.157 19682 9577 1 19 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.285 3.050 19682 9578 1 19 . 1 1 69 69 LEU H H 69 8.050 8.050 7.519 0.531 19682 9579 1 19 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.717 0.317 19682 9580 1 19 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.648 0.397 19682 9581 1 19 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.427 1.606 19682 9582 1 19 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.465 -0.017 19682 9583 1 19 . 1 1 71 71 PRO C C 71 177.632 177.632 177.040 0.592 19682 9584 1 19 . 1 1 71 71 PRO CA C 71 62.988 62.988 61.784 1.204 19682 9585 1 19 . 1 1 71 71 PRO CB C 71 32.129 32.129 33.235 -1.106 19682 9586 1 19 . 1 1 72 72 LEU N N 72 121.033 121.033 122.328 -1.295 19682 9587 1 19 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.321 0.325 19682 9588 1 19 . 1 1 72 72 LEU C C 72 177.983 177.983 176.925 1.058 19682 9589 1 19 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.605 -0.568 19682 9590 1 19 . 1 1 72 72 LEU CB C 72 43.384 43.384 39.541 3.843 19682 9591 1 19 . 1 1 72 72 LEU H H 72 7.660 7.660 8.225 -0.565 19682 9592 1 19 . 1 1 73 73 THR N N 73 112.645 112.645 116.912 -4.267 19682 9593 1 19 . 1 1 73 73 THR HA H 73 4.289 4.289 4.113 0.176 19682 9594 1 19 . 1 1 73 73 THR C C 73 174.305 174.305 174.818 -0.513 19682 9595 1 19 . 1 1 73 73 THR CA C 73 62.324 62.324 64.298 -1.974 19682 9596 1 19 . 1 1 73 73 THR CB C 73 69.019 69.019 69.396 -0.377 19682 9597 1 19 . 1 1 73 73 THR H H 73 8.694 8.694 7.850 0.844 19682 9598 1 19 . 1 1 74 74 SER N N 74 114.234 114.234 115.582 -1.348 19682 9599 1 19 . 1 1 74 74 SER HA H 74 4.584 4.584 4.655 -0.071 19682 9600 1 19 . 1 1 74 74 SER C C 74 172.833 172.833 173.272 -0.439 19682 9601 1 19 . 1 1 74 74 SER CA C 74 56.827 56.827 56.970 -0.143 19682 9602 1 19 . 1 1 74 74 SER CB C 74 64.678 64.678 64.786 -0.108 19682 9603 1 19 . 1 1 74 74 SER H H 74 7.503 7.503 7.710 -0.207 19682 9604 1 19 . 1 1 75 75 ILE N N 75 123.720 123.720 125.090 -1.370 19682 9605 1 19 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.150 -0.071 19682 9606 1 19 . 1 1 75 75 ILE C C 75 174.819 174.819 174.491 0.328 19682 9607 1 19 . 1 1 75 75 ILE CA C 75 58.608 58.608 59.310 -0.702 19682 9608 1 19 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.757 0.031 19682 9609 1 19 . 1 1 75 75 ILE H H 75 8.498 8.498 8.288 0.210 19682 9610 1 19 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.384 0.024 19682 9611 1 19 . 1 1 76 76 PRO C C 76 176.339 176.339 176.351 -0.012 19682 9612 1 19 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.952 0.052 19682 9613 1 19 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.262 -0.126 19682 9614 1 19 . 1 1 77 77 LYS N N 77 121.662 121.662 125.566 -3.904 19682 9615 1 19 . 1 1 77 77 LYS HA H 77 4.335 4.335 3.879 0.456 19682 9616 1 19 . 1 1 77 77 LYS C C 77 177.278 177.278 177.851 -0.573 19682 9617 1 19 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.430 -1.132 19682 9618 1 19 . 1 1 77 77 LYS CB C 77 32.777 32.777 30.732 2.045 19682 9619 1 19 . 1 1 77 77 LYS H H 77 8.516 8.516 8.619 -0.103 19682 9620 1 19 . 1 1 78 78 GLY N N 78 110.250 110.250 113.830 -3.580 19682 9621 1 19 . 1 1 78 78 GLY C C 78 172.995 172.995 174.151 -1.156 19682 9622 1 19 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.215 -0.669 19682 9623 1 19 . 1 1 78 78 GLY H H 78 8.150 8.150 8.555 -0.405 19682 9624 1 19 . 1 1 79 79 GLU N N 79 121.820 121.820 123.702 -1.882 19682 9625 1 19 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.475 -0.106 19682 9626 1 19 . 1 1 79 79 GLU C C 79 175.847 175.847 175.653 0.194 19682 9627 1 19 . 1 1 79 79 GLU CA C 79 56.977 56.977 55.996 0.981 19682 9628 1 19 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.592 0.046 19682 9629 1 19 . 1 1 79 79 GLU H H 79 8.342 8.342 8.118 0.224 19682 9630 1 19 . 1 1 80 80 TRP N N 80 126.690 126.690 128.587 -1.897 19682 9631 1 19 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.930 -0.416 19682 9632 1 19 . 1 1 80 80 TRP C C 80 172.733 172.733 174.026 -1.293 19682 9633 1 19 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.717 2.851 19682 9634 1 19 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.347 -0.938 19682 9635 1 19 . 1 1 80 80 TRP H H 80 9.370 9.370 8.293 1.077 19682 9636 1 19 . 1 1 81 81 LEU N N 81 125.572 125.572 126.694 -1.122 19682 9637 1 19 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.168 0.853 19682 9638 1 19 . 1 1 81 81 LEU C C 81 174.617 174.617 175.847 -1.230 19682 9639 1 19 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.705 -1.271 19682 9640 1 19 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.439 1.421 19682 9641 1 19 . 1 1 81 81 LEU H H 81 6.540 6.540 7.870 -1.330 19682 9642 1 19 . 1 1 82 82 CYS N N 82 125.868 125.868 121.507 4.361 19682 9643 1 19 . 1 1 82 82 CYS HA H 82 3.529 3.529 4.230 -0.701 19682 9644 1 19 . 1 1 82 82 CYS C C 82 172.652 172.652 174.885 -2.233 19682 9645 1 19 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.031 1.531 19682 9646 1 19 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.449 3.095 19682 9647 1 19 . 1 1 82 82 CYS H H 82 9.086 9.086 7.859 1.227 19682 9648 1 19 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.014 0.054 19682 9649 1 19 . 1 1 83 83 PRO C C 83 178.541 178.541 178.657 -0.116 19682 9650 1 19 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.684 -0.417 19682 9651 1 19 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.693 0.516 19682 9652 1 19 . 1 1 84 84 ARG N N 84 117.140 117.140 117.562 -0.422 19682 9653 1 19 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.061 0.136 19682 9654 1 19 . 1 1 84 84 ARG C C 84 177.983 177.983 178.516 -0.533 19682 9655 1 19 . 1 1 84 84 ARG CA C 84 58.537 58.537 59.046 -0.509 19682 9656 1 19 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.856 0.959 19682 9657 1 19 . 1 1 84 84 ARG H H 84 8.041 8.041 8.648 -0.607 19682 9658 1 19 . 1 1 85 85 CYS N N 85 123.417 123.417 116.516 6.901 19682 9659 1 19 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.248 -0.345 19682 9660 1 19 . 1 1 85 85 CYS C C 85 177.298 177.298 176.946 0.352 19682 9661 1 19 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.261 2.907 19682 9662 1 19 . 1 1 85 85 CYS CB C 85 30.038 30.038 25.992 4.046 19682 9663 1 19 . 1 1 85 85 CYS H H 85 8.210 8.210 7.513 0.697 19682 9664 1 19 . 1 1 86 86 VAL N N 86 118.037 118.037 120.433 -2.396 19682 9665 1 19 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.732 -0.092 19682 9666 1 19 . 1 1 86 86 VAL C C 86 176.623 176.623 177.242 -0.619 19682 9667 1 19 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.272 -0.764 19682 9668 1 19 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.788 0.014 19682 9669 1 19 . 1 1 86 86 VAL H H 86 7.951 7.951 7.549 0.402 19682 9670 1 19 . 1 1 87 87 VAL N N 87 119.227 119.227 116.600 2.627 19682 9671 1 19 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.818 0.158 19682 9672 1 19 . 1 1 87 87 VAL C C 87 176.774 176.774 176.816 -0.042 19682 9673 1 19 . 1 1 87 87 VAL CA C 87 63.182 63.182 63.865 -0.683 19682 9674 1 19 . 1 1 87 87 VAL CB C 87 32.210 32.210 32.110 0.100 19682 9675 1 19 . 1 1 87 87 VAL H H 87 7.255 7.255 7.770 -0.515 19682 9676 1 19 . 1 1 88 88 GLU N N 88 122.469 122.469 117.774 4.695 19682 9677 1 19 . 1 1 88 88 GLU HA H 88 4.199 4.199 3.953 0.246 19682 9678 1 19 . 1 1 88 88 GLU C C 88 176.623 176.623 175.743 0.880 19682 9679 1 19 . 1 1 88 88 GLU CA C 88 56.950 56.950 58.932 -1.982 19682 9680 1 19 . 1 1 88 88 GLU CB C 88 30.090 30.090 28.822 1.268 19682 9681 1 19 . 1 1 88 88 GLU H H 88 7.986 7.986 7.992 -0.006 19682 9682 1 19 . 1 1 89 89 GLU N N 89 121.343 121.343 119.350 1.993 19682 9683 1 19 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.570 -0.381 19682 9684 1 19 . 1 1 89 89 GLU C C 89 176.744 176.744 175.460 1.284 19682 9685 1 19 . 1 1 89 89 GLU CA C 89 56.956 56.956 55.116 1.840 19682 9686 1 19 . 1 1 89 89 GLU CB C 89 29.912 29.912 32.358 -2.446 19682 9687 1 19 . 1 1 89 89 GLU H H 89 8.168 8.168 8.026 0.142 19682 9688 1 19 . 1 1 90 90 VAL N N 90 120.127 120.127 125.154 -5.027 19682 9689 1 19 . 1 1 90 90 VAL HA H 90 4.084 4.084 3.958 0.126 19682 9690 1 19 . 1 1 90 90 VAL C C 90 176.290 176.290 175.503 0.787 19682 9691 1 19 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.845 -0.253 19682 9692 1 19 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.371 1.156 19682 9693 1 19 . 1 1 90 90 VAL H H 90 8.027 8.027 8.561 -0.534 19682 9694 1 19 . 1 1 91 91 SER N N 91 118.678 118.678 121.287 -2.609 19682 9695 1 19 . 1 1 91 91 SER HA H 91 4.439 4.439 4.399 0.040 19682 9696 1 19 . 1 1 91 91 SER C C 91 173.932 173.932 174.810 -0.878 19682 9697 1 19 . 1 1 91 91 SER CA C 91 58.189 58.189 58.287 -0.098 19682 9698 1 19 . 1 1 91 91 SER CB C 91 63.706 63.706 63.465 0.241 19682 9699 1 19 . 1 1 91 91 SER H H 91 8.222 8.222 8.170 0.052 19682 9700 1 19 . 1 1 92 92 LYS N N 92 124.547 124.547 126.891 -2.344 19682 9701 1 19 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.634 -0.027 19682 9702 1 19 . 1 1 92 92 LYS C C 92 174.395 174.395 174.718 -0.323 19682 9703 1 19 . 1 1 92 92 LYS CA C 92 54.272 54.272 53.975 0.297 19682 9704 1 19 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.186 0.460 19682 9705 1 19 . 1 1 92 92 LYS H H 92 8.165 8.165 8.271 -0.106 19682 9706 1 19 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.519 -0.100 19682 9707 1 19 . 1 1 93 93 PRO C C 93 176.194 176.194 176.619 -0.425 19682 9708 1 19 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.777 0.641 19682 9709 1 19 . 1 1 93 93 PRO CB C 93 31.896 31.896 30.877 1.019 19682 9710 1 20 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.522 0.228 19682 9711 1 20 . 1 1 2 2 HIS CA C 2 56.292 56.292 56.354 -0.062 19682 9712 1 20 . 1 1 2 2 HIS CB C 2 30.558 30.558 29.409 1.149 19682 9713 1 20 . 1 1 2 2 HIS H H 2 8.134 8.134 8.332 -0.198 19682 9714 1 20 . 1 1 3 3 MET N N 3 123.164 123.164 126.823 -3.659 19682 9715 1 20 . 1 1 3 3 MET HA H 3 4.494 4.494 4.395 0.099 19682 9716 1 20 . 1 1 3 3 MET C C 3 176.078 176.078 176.141 -0.063 19682 9717 1 20 . 1 1 3 3 MET CA C 3 55.504 55.504 55.606 -0.102 19682 9718 1 20 . 1 1 3 3 MET CB C 3 32.860 32.860 31.424 1.436 19682 9719 1 20 . 1 1 3 3 MET H H 3 8.419 8.419 8.724 -0.305 19682 9720 1 20 . 1 1 4 4 SER N N 4 117.403 117.403 119.674 -2.271 19682 9721 1 20 . 1 1 4 4 SER HA H 4 4.439 4.439 4.659 -0.220 19682 9722 1 20 . 1 1 4 4 SER C C 4 175.011 175.011 174.505 0.506 19682 9723 1 20 . 1 1 4 4 SER CA C 4 58.516 58.516 57.809 0.706 19682 9724 1 20 . 1 1 4 4 SER CB C 4 63.773 63.773 63.504 0.269 19682 9725 1 20 . 1 1 4 4 SER H H 4 8.416 8.416 8.249 0.167 19682 9726 1 20 . 1 1 5 5 GLY N N 5 111.174 111.174 114.486 -3.312 19682 9727 1 20 . 1 1 5 5 GLY C C 5 174.567 174.567 174.104 0.463 19682 9728 1 20 . 1 1 5 5 GLY CA C 5 45.185 45.185 45.190 -0.005 19682 9729 1 20 . 1 1 5 5 GLY H H 5 8.475 8.475 8.257 0.218 19682 9730 1 20 . 1 1 6 6 GLY N N 6 108.594 108.594 110.198 -1.604 19682 9731 1 20 . 1 1 6 6 GLY C C 6 173.781 173.781 174.621 -0.840 19682 9732 1 20 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.213 -0.230 19682 9733 1 20 . 1 1 6 6 GLY H H 6 8.274 8.274 8.444 -0.170 19682 9734 1 20 . 1 1 7 7 SER N N 7 116.558 116.558 118.606 -2.048 19682 9735 1 20 . 1 1 7 7 SER C C 7 172.995 172.995 172.916 0.079 19682 9736 1 20 . 1 1 7 7 SER CA C 7 56.387 56.387 55.252 1.135 19682 9737 1 20 . 1 1 7 7 SER CB C 7 63.508 63.508 63.898 -0.390 19682 9738 1 20 . 1 1 7 7 SER H H 7 8.220 8.220 8.417 -0.197 19682 9739 1 20 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.599 -0.145 19682 9740 1 20 . 1 1 8 8 PRO C C 8 176.864 176.864 176.338 0.526 19682 9741 1 20 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.480 0.869 19682 9742 1 20 . 1 1 8 8 PRO CB C 8 32.010 32.010 32.419 -0.409 19682 9743 1 20 . 1 1 9 9 LEU N N 9 121.497 121.497 125.241 -3.744 19682 9744 1 20 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.251 0.053 19682 9745 1 20 . 1 1 9 9 LEU C C 9 177.237 177.237 177.998 -0.761 19682 9746 1 20 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.418 0.605 19682 9747 1 20 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.531 0.822 19682 9748 1 20 . 1 1 9 9 LEU H H 9 8.196 8.196 8.474 -0.278 19682 9749 1 20 . 1 1 10 10 ALA N N 10 124.964 124.964 128.844 -3.880 19682 9750 1 20 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.279 0.123 19682 9751 1 20 . 1 1 10 10 ALA C C 10 177.812 177.812 177.015 0.797 19682 9752 1 20 . 1 1 10 10 ALA CA C 10 52.408 52.408 52.278 0.130 19682 9753 1 20 . 1 1 10 10 ALA CB C 10 19.238 19.238 17.826 1.412 19682 9754 1 20 . 1 1 10 10 ALA H H 10 8.242 8.242 8.449 -0.207 19682 9755 1 20 . 1 1 11 11 THR N N 11 112.852 112.852 114.441 -1.589 19682 9756 1 20 . 1 1 11 11 THR HA H 11 4.341 4.341 4.019 0.322 19682 9757 1 20 . 1 1 11 11 THR C C 11 175.181 175.181 174.011 1.170 19682 9758 1 20 . 1 1 11 11 THR CA C 11 61.870 61.870 62.360 -0.490 19682 9759 1 20 . 1 1 11 11 THR CB C 11 69.622 69.622 68.882 0.740 19682 9760 1 20 . 1 1 11 11 THR H H 11 8.081 8.081 8.071 0.010 19682 9761 1 20 . 1 1 12 12 GLY N N 12 110.929 110.929 109.881 1.048 19682 9762 1 20 . 1 1 12 12 GLY C C 12 174.395 174.395 174.104 0.291 19682 9763 1 20 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.617 0.759 19682 9764 1 20 . 1 1 12 12 GLY H H 12 8.408 8.408 8.350 0.058 19682 9765 1 20 . 1 1 13 13 THR N N 13 113.482 113.482 113.815 -0.333 19682 9766 1 20 . 1 1 13 13 THR HA H 13 4.445 4.445 4.410 0.035 19682 9767 1 20 . 1 1 13 13 THR C C 13 174.889 174.889 174.201 0.688 19682 9768 1 20 . 1 1 13 13 THR CA C 13 61.816 61.816 61.939 -0.123 19682 9769 1 20 . 1 1 13 13 THR CB C 13 69.812 69.812 69.370 0.442 19682 9770 1 20 . 1 1 13 13 THR H H 13 8.130 8.130 8.188 -0.058 19682 9771 1 20 . 1 1 14 14 THR N N 14 116.080 116.080 113.152 2.928 19682 9772 1 20 . 1 1 14 14 THR HA H 14 4.370 4.370 4.919 -0.549 19682 9773 1 20 . 1 1 14 14 THR C C 14 174.385 174.385 172.718 1.667 19682 9774 1 20 . 1 1 14 14 THR CA C 14 61.788 61.788 60.557 1.230 19682 9775 1 20 . 1 1 14 14 THR CB C 14 69.696 69.696 70.999 -1.303 19682 9776 1 20 . 1 1 14 14 THR H H 14 8.199 8.199 8.587 -0.388 19682 9777 1 20 . 1 1 15 15 ALA N N 15 126.054 126.054 123.608 2.446 19682 9778 1 20 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.453 -0.152 19682 9779 1 20 . 1 1 15 15 ALA C C 15 177.469 177.469 176.143 1.326 19682 9780 1 20 . 1 1 15 15 ALA CA C 15 52.846 52.846 51.604 1.242 19682 9781 1 20 . 1 1 15 15 ALA CB C 15 19.184 19.184 20.261 -1.077 19682 9782 1 20 . 1 1 15 15 ALA H H 15 8.349 8.349 8.194 0.155 19682 9783 1 20 . 1 1 16 16 ASN N N 16 117.718 117.718 122.621 -4.903 19682 9784 1 20 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.880 -0.136 19682 9785 1 20 . 1 1 16 16 ASN C C 16 175.575 175.575 174.391 1.184 19682 9786 1 20 . 1 1 16 16 ASN CA C 16 53.197 53.197 52.759 0.438 19682 9787 1 20 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.549 -0.817 19682 9788 1 20 . 1 1 16 16 ASN H H 16 8.403 8.403 8.523 -0.120 19682 9789 1 20 . 1 1 17 17 THR N N 17 114.153 114.153 118.698 -4.545 19682 9790 1 20 . 1 1 17 17 THR HA H 17 4.312 4.312 4.263 0.049 19682 9791 1 20 . 1 1 17 17 THR C C 17 174.799 174.799 174.801 -0.002 19682 9792 1 20 . 1 1 17 17 THR CA C 17 61.973 61.973 63.223 -1.250 19682 9793 1 20 . 1 1 17 17 THR CB C 17 69.624 69.624 69.250 0.374 19682 9794 1 20 . 1 1 17 17 THR H H 17 8.081 8.081 8.357 -0.276 19682 9795 1 20 . 1 1 18 18 ARG N N 18 122.990 122.990 125.144 -2.154 19682 9796 1 20 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.807 -0.482 19682 9797 1 20 . 1 1 18 18 ARG C C 18 176.875 176.875 175.989 0.886 19682 9798 1 20 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.321 1.230 19682 9799 1 20 . 1 1 18 18 ARG CB C 18 30.587 30.587 31.373 -0.786 19682 9800 1 20 . 1 1 18 18 ARG H H 18 8.351 8.351 8.770 -0.419 19682 9801 1 20 . 1 1 19 19 GLY N N 19 109.993 109.993 108.237 1.756 19682 9802 1 20 . 1 1 19 19 GLY C C 19 174.002 174.002 173.314 0.688 19682 9803 1 20 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.703 0.611 19682 9804 1 20 . 1 1 19 19 GLY H H 19 8.394 8.394 8.299 0.095 19682 9805 1 20 . 1 1 20 20 ALA N N 20 123.732 123.732 126.194 -2.462 19682 9806 1 20 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.580 -0.238 19682 9807 1 20 . 1 1 20 20 ALA C C 20 178.034 178.034 177.898 0.136 19682 9808 1 20 . 1 1 20 20 ALA CA C 20 52.650 52.650 51.802 0.848 19682 9809 1 20 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.531 -0.310 19682 9810 1 20 . 1 1 20 20 ALA H H 20 8.185 8.185 8.348 -0.163 19682 9811 1 20 . 1 1 21 21 SER N N 21 114.750 114.750 121.037 -6.287 19682 9812 1 20 . 1 1 21 21 SER HA H 21 4.419 4.419 4.394 0.025 19682 9813 1 20 . 1 1 21 21 SER C C 21 174.627 174.627 173.419 1.208 19682 9814 1 20 . 1 1 21 21 SER CA C 21 58.495 58.495 58.397 0.098 19682 9815 1 20 . 1 1 21 21 SER CB C 21 63.697 63.697 62.848 0.849 19682 9816 1 20 . 1 1 21 21 SER H H 21 8.319 8.319 8.751 -0.432 19682 9817 1 20 . 1 1 22 22 GLN N N 22 122.092 122.092 122.798 -0.706 19682 9818 1 20 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.606 -0.262 19682 9819 1 20 . 1 1 22 22 GLN C C 22 175.857 175.857 175.482 0.375 19682 9820 1 20 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.352 0.423 19682 9821 1 20 . 1 1 22 22 GLN CB C 22 29.398 29.398 30.337 -0.939 19682 9822 1 20 . 1 1 22 22 GLN H H 22 8.343 8.343 7.963 0.380 19682 9823 1 20 . 1 1 23 23 LYS N N 23 122.663 122.663 123.725 -1.062 19682 9824 1 20 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.478 -0.181 19682 9825 1 20 . 1 1 23 23 LYS C C 23 176.502 176.502 174.681 1.821 19682 9826 1 20 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.717 -0.402 19682 9827 1 20 . 1 1 23 23 LYS CB C 23 33.048 33.048 33.038 0.010 19682 9828 1 20 . 1 1 23 23 LYS H H 23 8.309 8.309 8.541 -0.232 19682 9829 1 20 . 1 1 24 24 LYS N N 24 123.434 123.434 122.837 0.597 19682 9830 1 20 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.378 -0.052 19682 9831 1 20 . 1 1 24 24 LYS C C 24 177.026 177.026 176.012 1.014 19682 9832 1 20 . 1 1 24 24 LYS CA C 24 56.359 56.359 55.843 0.516 19682 9833 1 20 . 1 1 24 24 LYS CB C 24 32.993 32.993 33.250 -0.257 19682 9834 1 20 . 1 1 24 24 LYS H H 24 8.469 8.469 8.389 0.080 19682 9835 1 20 . 1 1 25 25 GLY N N 25 110.813 110.813 108.118 2.695 19682 9836 1 20 . 1 1 25 25 GLY C C 25 174.476 174.476 175.117 -0.641 19682 9837 1 20 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.698 0.576 19682 9838 1 20 . 1 1 25 25 GLY H H 25 8.531 8.531 8.551 -0.020 19682 9839 1 20 . 1 1 26 26 GLY N N 26 108.690 108.690 107.899 0.791 19682 9840 1 20 . 1 1 26 26 GLY C C 26 173.851 173.851 173.274 0.577 19682 9841 1 20 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.900 0.169 19682 9842 1 20 . 1 1 26 26 GLY H H 26 8.279 8.279 8.580 -0.301 19682 9843 1 20 . 1 1 27 27 GLU N N 27 121.707 121.707 122.149 -0.442 19682 9844 1 20 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.449 0.135 19682 9845 1 20 . 1 1 27 27 GLU C C 27 174.204 174.204 174.113 0.091 19682 9846 1 20 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.697 -0.257 19682 9847 1 20 . 1 1 27 27 GLU CB C 27 29.437 29.437 31.078 -1.641 19682 9848 1 20 . 1 1 27 27 GLU H H 27 8.321 8.321 7.712 0.609 19682 9849 1 20 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.691 -0.297 19682 9850 1 20 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.911 0.900 19682 9851 1 20 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.677 0.481 19682 9852 1 20 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.375 0.022 19682 9853 1 20 . 1 1 29 29 PRO C C 29 176.462 176.462 176.261 0.201 19682 9854 1 20 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.670 0.174 19682 9855 1 20 . 1 1 29 29 PRO CB C 29 31.961 31.961 31.069 0.892 19682 9856 1 20 . 1 1 30 30 ALA N N 30 123.850 123.850 128.622 -4.772 19682 9857 1 20 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.249 0.025 19682 9858 1 20 . 1 1 30 30 ALA C C 30 177.368 177.368 176.878 0.490 19682 9859 1 20 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.239 0.018 19682 9860 1 20 . 1 1 30 30 ALA CB C 30 19.237 19.237 18.789 0.448 19682 9861 1 20 . 1 1 30 30 ALA H H 30 8.290 8.290 8.201 0.089 19682 9862 1 20 . 1 1 31 31 LEU N N 31 121.430 121.430 127.015 -5.585 19682 9863 1 20 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.524 -0.191 19682 9864 1 20 . 1 1 31 31 LEU C C 31 176.804 176.804 175.992 0.812 19682 9865 1 20 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.191 0.824 19682 9866 1 20 . 1 1 31 31 LEU CB C 31 42.444 42.444 42.590 -0.146 19682 9867 1 20 . 1 1 31 31 LEU H H 31 8.139 8.139 8.275 -0.136 19682 9868 1 20 . 1 1 32 32 ILE N N 32 123.070 123.070 129.725 -6.655 19682 9869 1 20 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.047 0.121 19682 9870 1 20 . 1 1 32 32 ILE C C 32 175.887 175.887 176.055 -0.168 19682 9871 1 20 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.942 -1.252 19682 9872 1 20 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.153 1.325 19682 9873 1 20 . 1 1 32 32 ILE H H 32 8.140 8.140 8.684 -0.544 19682 9874 1 20 . 1 1 33 33 VAL N N 33 124.923 124.923 126.123 -1.200 19682 9875 1 20 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.038 0.049 19682 9876 1 20 . 1 1 33 33 VAL C C 33 175.232 175.232 175.725 -0.493 19682 9877 1 20 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.130 -0.279 19682 9878 1 20 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.884 1.036 19682 9879 1 20 . 1 1 33 33 VAL H H 33 8.198 8.198 8.068 0.130 19682 9880 1 20 . 1 1 34 34 ASP N N 34 125.813 125.813 121.484 4.329 19682 9881 1 20 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.600 0.260 19682 9882 1 20 . 1 1 34 34 ASP C C 34 174.919 174.919 176.486 -1.567 19682 9883 1 20 . 1 1 34 34 ASP CA C 34 51.926 51.926 53.289 -1.363 19682 9884 1 20 . 1 1 34 34 ASP CB C 34 41.504 41.504 42.094 -0.590 19682 9885 1 20 . 1 1 34 34 ASP H H 34 8.336 8.336 7.871 0.465 19682 9886 1 20 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.234 0.130 19682 9887 1 20 . 1 1 35 35 PRO C C 35 177.091 177.091 178.170 -1.079 19682 9888 1 20 . 1 1 35 35 PRO CA C 35 63.514 63.514 64.201 -0.687 19682 9889 1 20 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.268 -0.095 19682 9890 1 20 . 1 1 36 36 LEU N N 36 119.977 119.977 113.737 6.240 19682 9891 1 20 . 1 1 36 36 LEU HA H 36 4.256 4.256 3.847 0.409 19682 9892 1 20 . 1 1 36 36 LEU C C 36 177.479 177.479 175.893 1.586 19682 9893 1 20 . 1 1 36 36 LEU CA C 36 55.226 55.226 56.217 -0.991 19682 9894 1 20 . 1 1 36 36 LEU CB C 36 41.635 41.635 40.781 0.855 19682 9895 1 20 . 1 1 36 36 LEU H H 36 8.316 8.316 8.185 0.131 19682 9896 1 20 . 1 1 37 37 MET N N 37 120.231 120.231 121.577 -1.346 19682 9897 1 20 . 1 1 37 37 MET HA H 37 4.326 4.326 4.274 0.052 19682 9898 1 20 . 1 1 37 37 MET C C 37 175.171 175.171 175.516 -0.345 19682 9899 1 20 . 1 1 37 37 MET CA C 37 55.160 55.160 55.758 -0.598 19682 9900 1 20 . 1 1 37 37 MET CB C 37 32.514 32.514 31.122 1.392 19682 9901 1 20 . 1 1 37 37 MET H H 37 7.893 7.893 7.559 0.334 19682 9902 1 20 . 1 1 38 38 LYS N N 38 122.361 122.361 123.622 -1.261 19682 9903 1 20 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.349 -0.189 19682 9904 1 20 . 1 1 38 38 LYS C C 38 175.837 175.837 175.504 0.333 19682 9905 1 20 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.580 0.525 19682 9906 1 20 . 1 1 38 38 LYS CB C 38 33.214 33.214 34.775 -1.561 19682 9907 1 20 . 1 1 38 38 LYS H H 38 7.929 7.929 8.085 -0.156 19682 9908 1 20 . 1 1 39 39 TYR N N 39 120.347 120.347 120.337 0.010 19682 9909 1 20 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.309 0.261 19682 9910 1 20 . 1 1 39 39 TYR C C 39 174.325 174.325 176.671 -2.346 19682 9911 1 20 . 1 1 39 39 TYR CA C 39 57.424 57.424 59.151 -1.727 19682 9912 1 20 . 1 1 39 39 TYR CB C 39 38.609 38.609 39.001 -0.392 19682 9913 1 20 . 1 1 39 39 TYR H H 39 8.020 8.020 8.349 -0.329 19682 9914 1 20 . 1 1 40 40 ILE N N 40 119.688 119.688 116.002 3.686 19682 9915 1 20 . 1 1 40 40 ILE HA H 40 3.975 3.975 3.751 0.224 19682 9916 1 20 . 1 1 40 40 ILE C C 40 175.181 175.181 175.032 0.149 19682 9917 1 20 . 1 1 40 40 ILE CA C 40 58.580 58.580 61.408 -2.828 19682 9918 1 20 . 1 1 40 40 ILE CB C 40 39.694 39.694 37.594 2.100 19682 9919 1 20 . 1 1 40 40 ILE H H 40 8.000 8.000 8.065 -0.065 19682 9920 1 20 . 1 1 41 41 CYS N N 41 129.049 129.049 126.198 2.851 19682 9921 1 20 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.114 -0.142 19682 9922 1 20 . 1 1 41 41 CYS C C 41 177.197 177.197 176.291 0.906 19682 9923 1 20 . 1 1 41 41 CYS CA C 41 59.057 59.057 59.247 -0.190 19682 9924 1 20 . 1 1 41 41 CYS CB C 41 31.374 31.374 25.758 5.616 19682 9925 1 20 . 1 1 41 41 CYS H H 41 7.990 7.990 8.658 -0.668 19682 9926 1 20 . 1 1 42 42 HIS N N 42 127.633 127.633 128.639 -1.006 19682 9927 1 20 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.238 -0.106 19682 9928 1 20 . 1 1 42 42 HIS C C 42 174.385 174.385 175.679 -1.294 19682 9929 1 20 . 1 1 42 42 HIS CA C 42 57.991 57.991 57.946 0.045 19682 9930 1 20 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.897 -1.197 19682 9931 1 20 . 1 1 42 42 HIS H H 42 8.933 8.933 8.849 0.084 19682 9932 1 20 . 1 1 43 43 ILE N N 43 119.482 119.482 118.204 1.278 19682 9933 1 20 . 1 1 43 43 ILE HA H 43 4.165 4.165 3.975 0.190 19682 9934 1 20 . 1 1 43 43 ILE C C 43 176.673 176.673 176.621 0.052 19682 9935 1 20 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.807 -0.685 19682 9936 1 20 . 1 1 43 43 ILE CB C 43 38.334 38.334 38.949 -0.615 19682 9937 1 20 . 1 1 43 43 ILE H H 43 8.944 8.944 7.938 1.006 19682 9938 1 20 . 1 1 44 44 CYS N N 44 117.996 117.996 118.172 -0.176 19682 9939 1 20 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.495 0.389 19682 9940 1 20 . 1 1 44 44 CYS C C 44 176.008 176.008 176.099 -0.091 19682 9941 1 20 . 1 1 44 44 CYS CA C 44 59.001 59.001 59.922 -0.921 19682 9942 1 20 . 1 1 44 44 CYS CB C 44 31.055 31.055 27.851 3.204 19682 9943 1 20 . 1 1 44 44 CYS H H 44 8.221 8.221 8.003 0.218 19682 9944 1 20 . 1 1 45 45 ASN N N 45 117.410 117.410 115.860 1.550 19682 9945 1 20 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.279 0.108 19682 9946 1 20 . 1 1 45 45 ASN C C 45 173.893 173.893 174.648 -0.755 19682 9947 1 20 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.130 -0.116 19682 9948 1 20 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.845 0.009 19682 9949 1 20 . 1 1 45 45 ASN H H 45 8.040 8.040 8.734 -0.694 19682 9950 1 20 . 1 1 46 46 ARG N N 46 117.127 117.127 117.719 -0.592 19682 9951 1 20 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.615 0.105 19682 9952 1 20 . 1 1 46 46 ARG C C 46 176.865 176.865 175.938 0.927 19682 9953 1 20 . 1 1 46 46 ARG CA C 46 55.427 55.427 54.520 0.907 19682 9954 1 20 . 1 1 46 46 ARG CB C 46 34.152 34.152 32.098 2.054 19682 9955 1 20 . 1 1 46 46 ARG H H 46 8.201 8.201 7.901 0.300 19682 9956 1 20 . 1 1 47 47 GLY N N 47 109.334 109.334 108.185 1.149 19682 9957 1 20 . 1 1 47 47 GLY C C 47 173.670 173.670 173.554 0.116 19682 9958 1 20 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.176 0.841 19682 9959 1 20 . 1 1 47 47 GLY H H 47 8.902 8.902 8.626 0.276 19682 9960 1 20 . 1 1 48 48 ASP N N 48 117.908 117.908 120.346 -2.438 19682 9961 1 20 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.602 0.098 19682 9962 1 20 . 1 1 48 48 ASP C C 48 173.871 173.871 176.483 -2.612 19682 9963 1 20 . 1 1 48 48 ASP CA C 48 52.409 52.409 54.997 -2.588 19682 9964 1 20 . 1 1 48 48 ASP CB C 48 40.859 40.859 42.547 -1.688 19682 9965 1 20 . 1 1 48 48 ASP H H 48 8.046 8.046 7.659 0.387 19682 9966 1 20 . 1 1 49 49 VAL N N 49 117.921 117.921 117.810 0.111 19682 9967 1 20 . 1 1 49 49 VAL HA H 49 3.703 3.703 3.743 -0.040 19682 9968 1 20 . 1 1 49 49 VAL C C 49 177.096 177.096 176.520 0.576 19682 9969 1 20 . 1 1 49 49 VAL CA C 49 62.491 62.491 63.260 -0.769 19682 9970 1 20 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.260 -0.837 19682 9971 1 20 . 1 1 49 49 VAL H H 49 8.772 8.772 8.751 0.021 19682 9972 1 20 . 1 1 50 50 GLU N N 50 120.434 120.434 121.122 -0.688 19682 9973 1 20 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.123 -0.291 19682 9974 1 20 . 1 1 50 50 GLU C C 50 178.779 178.779 178.079 0.700 19682 9975 1 20 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.614 1.306 19682 9976 1 20 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.458 -0.321 19682 9977 1 20 . 1 1 50 50 GLU H H 50 9.047 9.047 8.915 0.132 19682 9978 1 20 . 1 1 51 51 GLU N N 51 119.158 119.158 119.652 -0.494 19682 9979 1 20 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.181 0.126 19682 9980 1 20 . 1 1 51 51 GLU C C 51 177.358 177.358 177.098 0.260 19682 9981 1 20 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.336 -0.080 19682 9982 1 20 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.386 -1.161 19682 9983 1 20 . 1 1 51 51 GLU H H 51 9.822 9.822 8.610 1.212 19682 9984 1 20 . 1 1 52 52 SER N N 52 116.430 116.430 113.637 2.793 19682 9985 1 20 . 1 1 52 52 SER HA H 52 4.716 4.716 4.629 0.087 19682 9986 1 20 . 1 1 52 52 SER C C 52 172.309 172.309 173.428 -1.119 19682 9987 1 20 . 1 1 52 52 SER CA C 52 57.745 57.745 58.014 -0.269 19682 9988 1 20 . 1 1 52 52 SER CB C 52 64.494 64.494 63.725 0.769 19682 9989 1 20 . 1 1 52 52 SER H H 52 8.291 8.291 7.799 0.492 19682 9990 1 20 . 1 1 53 53 MET N N 53 121.812 121.812 123.105 -1.293 19682 9991 1 20 . 1 1 53 53 MET HA H 53 4.577 4.577 4.382 0.195 19682 9992 1 20 . 1 1 53 53 MET C C 53 174.385 174.385 175.190 -0.805 19682 9993 1 20 . 1 1 53 53 MET CA C 53 54.784 54.784 55.339 -0.555 19682 9994 1 20 . 1 1 53 53 MET CB C 53 33.410 33.410 32.480 0.930 19682 9995 1 20 . 1 1 53 53 MET H H 53 7.648 7.648 7.153 0.495 19682 9996 1 20 . 1 1 54 54 LEU N N 54 128.167 128.167 127.593 0.574 19682 9997 1 20 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.306 -0.058 19682 9998 1 20 . 1 1 54 54 LEU C C 54 175.111 175.111 175.649 -0.538 19682 9999 1 20 . 1 1 54 54 LEU CA C 54 53.623 53.623 54.257 -0.634 19682 10000 1 20 . 1 1 54 54 LEU CB C 54 43.759 43.759 42.503 1.256 19682 10001 1 20 . 1 1 54 54 LEU H H 54 9.007 9.007 8.365 0.642 19682 10002 1 20 . 1 1 55 55 LEU N N 55 122.173 122.173 123.530 -1.357 19682 10003 1 20 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.907 -0.102 19682 10004 1 20 . 1 1 55 55 LEU C C 55 176.260 176.260 176.323 -0.063 19682 10005 1 20 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.263 -0.016 19682 10006 1 20 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.380 -0.107 19682 10007 1 20 . 1 1 55 55 LEU H H 55 8.139 8.139 8.033 0.106 19682 10008 1 20 . 1 1 56 56 CYS N N 56 126.541 126.541 128.813 -2.272 19682 10009 1 20 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.658 0.068 19682 10010 1 20 . 1 1 56 56 CYS C C 56 177.671 177.671 176.045 1.626 19682 10011 1 20 . 1 1 56 56 CYS CA C 56 60.220 60.220 59.322 0.898 19682 10012 1 20 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.810 4.273 19682 10013 1 20 . 1 1 56 56 CYS H H 56 8.996 8.996 9.120 -0.124 19682 10014 1 20 . 1 1 57 57 ASP N N 57 130.338 130.338 129.329 1.009 19682 10015 1 20 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.480 0.187 19682 10016 1 20 . 1 1 57 57 ASP C C 57 176.159 176.159 176.797 -0.638 19682 10017 1 20 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.244 1.213 19682 10018 1 20 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.117 1.084 19682 10019 1 20 . 1 1 57 57 ASP H H 57 9.373 9.373 8.472 0.901 19682 10020 1 20 . 1 1 58 58 GLY N N 58 114.137 114.137 104.990 9.147 19682 10021 1 20 . 1 1 58 58 GLY C C 58 174.801 174.801 173.306 1.495 19682 10022 1 20 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.619 1.363 19682 10023 1 20 . 1 1 58 58 GLY H H 58 10.023 10.023 7.902 2.121 19682 10024 1 20 . 1 1 59 59 CYS N N 59 120.775 120.775 117.349 3.426 19682 10025 1 20 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.520 0.371 19682 10026 1 20 . 1 1 59 59 CYS C C 59 175.564 175.564 173.748 1.816 19682 10027 1 20 . 1 1 59 59 CYS CA C 59 58.741 58.741 59.167 -0.426 19682 10028 1 20 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.726 3.353 19682 10029 1 20 . 1 1 59 59 CYS H H 59 8.132 8.132 7.858 0.274 19682 10030 1 20 . 1 1 60 60 ASP N N 60 119.232 119.232 122.468 -3.236 19682 10031 1 20 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.397 0.292 19682 10032 1 20 . 1 1 60 60 ASP C C 60 174.738 174.738 174.407 0.331 19682 10033 1 20 . 1 1 60 60 ASP CA C 60 56.465 56.465 55.705 0.760 19682 10034 1 20 . 1 1 60 60 ASP CB C 60 41.041 41.041 39.502 1.539 19682 10035 1 20 . 1 1 60 60 ASP H H 60 8.085 8.085 8.578 -0.493 19682 10036 1 20 . 1 1 61 61 ASP N N 61 121.704 121.704 119.495 2.209 19682 10037 1 20 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.806 0.043 19682 10038 1 20 . 1 1 61 61 ASP C C 61 175.454 175.454 174.971 0.483 19682 10039 1 20 . 1 1 61 61 ASP CA C 61 55.493 55.493 53.269 2.224 19682 10040 1 20 . 1 1 61 61 ASP CB C 61 42.194 42.194 44.116 -1.922 19682 10041 1 20 . 1 1 61 61 ASP H H 61 8.703 8.703 7.980 0.723 19682 10042 1 20 . 1 1 62 62 SER N N 62 113.381 113.381 120.021 -6.640 19682 10043 1 20 . 1 1 62 62 SER HA H 62 5.703 5.703 5.467 0.236 19682 10044 1 20 . 1 1 62 62 SER C C 62 173.821 173.821 173.410 0.411 19682 10045 1 20 . 1 1 62 62 SER CA C 62 56.165 56.165 57.831 -1.666 19682 10046 1 20 . 1 1 62 62 SER CB C 62 65.275 65.275 64.083 1.192 19682 10047 1 20 . 1 1 62 62 SER H H 62 8.313 8.313 8.596 -0.283 19682 10048 1 20 . 1 1 63 63 TYR N N 63 120.467 120.467 123.767 -3.300 19682 10049 1 20 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.593 0.758 19682 10050 1 20 . 1 1 63 63 TYR C C 63 175.393 175.393 174.806 0.587 19682 10051 1 20 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.813 -0.126 19682 10052 1 20 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.138 2.188 19682 10053 1 20 . 1 1 63 63 TYR H H 63 8.815 8.815 8.758 0.057 19682 10054 1 20 . 1 1 64 64 HIS N N 64 121.957 121.957 121.899 0.058 19682 10055 1 20 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.790 0.060 19682 10056 1 20 . 1 1 64 64 HIS C C 64 178.559 178.559 177.363 1.196 19682 10057 1 20 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.808 1.682 19682 10058 1 20 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.523 0.513 19682 10059 1 20 . 1 1 64 64 HIS H H 64 9.276 9.276 8.196 1.080 19682 10060 1 20 . 1 1 65 65 THR N N 65 113.100 113.100 115.728 -2.628 19682 10061 1 20 . 1 1 65 65 THR HA H 65 3.603 3.603 3.785 -0.182 19682 10062 1 20 . 1 1 65 65 THR C C 65 176.824 176.824 175.927 0.897 19682 10063 1 20 . 1 1 65 65 THR CA C 65 64.805 64.805 66.588 -1.782 19682 10064 1 20 . 1 1 65 65 THR CB C 65 66.441 66.441 68.998 -2.557 19682 10065 1 20 . 1 1 65 65 THR H H 65 8.832 8.832 7.848 0.984 19682 10066 1 20 . 1 1 66 66 PHE N N 66 111.288 111.288 115.969 -4.681 19682 10067 1 20 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.698 0.027 19682 10068 1 20 . 1 1 66 66 PHE C C 66 176.846 176.846 176.288 0.558 19682 10069 1 20 . 1 1 66 66 PHE CA C 66 56.215 56.215 58.429 -2.214 19682 10070 1 20 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.724 -0.294 19682 10071 1 20 . 1 1 66 66 PHE H H 66 6.541 6.541 7.635 -1.094 19682 10072 1 20 . 1 1 67 67 CYS N N 67 123.228 123.228 118.157 5.071 19682 10073 1 20 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.388 0.105 19682 10074 1 20 . 1 1 67 67 CYS C C 67 174.627 174.627 175.598 -0.971 19682 10075 1 20 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.911 2.224 19682 10076 1 20 . 1 1 67 67 CYS CB C 67 30.603 30.603 26.372 4.231 19682 10077 1 20 . 1 1 67 67 CYS H H 67 7.384 7.384 7.575 -0.191 19682 10078 1 20 . 1 1 68 68 LEU N N 68 119.645 119.645 120.281 -0.636 19682 10079 1 20 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.384 -0.257 19682 10080 1 20 . 1 1 68 68 LEU C C 68 174.738 174.738 175.316 -0.578 19682 10081 1 20 . 1 1 68 68 LEU CA C 68 55.011 55.011 54.772 0.240 19682 10082 1 20 . 1 1 68 68 LEU CB C 68 44.123 44.123 42.971 1.152 19682 10083 1 20 . 1 1 68 68 LEU H H 68 6.514 6.514 7.310 -0.796 19682 10084 1 20 . 1 1 69 69 LEU N N 69 119.803 119.803 118.821 0.982 19682 10085 1 20 . 1 1 69 69 LEU HA H 69 4.683 4.683 5.033 -0.350 19682 10086 1 20 . 1 1 69 69 LEU C C 69 174.879 174.879 175.322 -0.443 19682 10087 1 20 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.079 -0.862 19682 10088 1 20 . 1 1 69 69 LEU CB C 69 44.335 44.335 41.665 2.670 19682 10089 1 20 . 1 1 69 69 LEU H H 69 8.050 8.050 8.065 -0.015 19682 10090 1 20 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.780 0.254 19682 10091 1 20 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.882 0.163 19682 10092 1 20 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.530 1.503 19682 10093 1 20 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.641 -0.193 19682 10094 1 20 . 1 1 71 71 PRO C C 71 177.632 177.632 176.573 1.059 19682 10095 1 20 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.688 0.300 19682 10096 1 20 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.635 -0.506 19682 10097 1 20 . 1 1 72 72 LEU N N 72 121.033 121.033 126.121 -5.088 19682 10098 1 20 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.254 0.392 19682 10099 1 20 . 1 1 72 72 LEU C C 72 177.983 177.983 177.612 0.371 19682 10100 1 20 . 1 1 72 72 LEU CA C 72 54.037 54.037 55.115 -1.078 19682 10101 1 20 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.938 2.446 19682 10102 1 20 . 1 1 72 72 LEU H H 72 7.660 7.660 8.239 -0.579 19682 10103 1 20 . 1 1 73 73 THR N N 73 112.645 112.645 115.299 -2.654 19682 10104 1 20 . 1 1 73 73 THR HA H 73 4.289 4.289 4.261 0.028 19682 10105 1 20 . 1 1 73 73 THR C C 73 174.305 174.305 175.056 -0.751 19682 10106 1 20 . 1 1 73 73 THR CA C 73 62.324 62.324 63.105 -0.781 19682 10107 1 20 . 1 1 73 73 THR CB C 73 69.019 69.019 69.174 -0.155 19682 10108 1 20 . 1 1 73 73 THR H H 73 8.694 8.694 8.645 0.049 19682 10109 1 20 . 1 1 74 74 SER N N 74 114.234 114.234 114.937 -0.703 19682 10110 1 20 . 1 1 74 74 SER HA H 74 4.584 4.584 4.572 0.012 19682 10111 1 20 . 1 1 74 74 SER C C 74 172.833 172.833 172.622 0.211 19682 10112 1 20 . 1 1 74 74 SER CA C 74 56.827 56.827 57.286 -0.459 19682 10113 1 20 . 1 1 74 74 SER CB C 74 64.678 64.678 64.713 -0.035 19682 10114 1 20 . 1 1 74 74 SER H H 74 7.503 7.503 7.432 0.071 19682 10115 1 20 . 1 1 75 75 ILE N N 75 123.720 123.720 123.344 0.376 19682 10116 1 20 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.164 -0.085 19682 10117 1 20 . 1 1 75 75 ILE C C 75 174.819 174.819 175.209 -0.390 19682 10118 1 20 . 1 1 75 75 ILE CA C 75 58.608 58.608 60.041 -1.433 19682 10119 1 20 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.678 0.110 19682 10120 1 20 . 1 1 75 75 ILE H H 75 8.498 8.498 8.283 0.215 19682 10121 1 20 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.452 -0.044 19682 10122 1 20 . 1 1 76 76 PRO C C 76 176.339 176.339 176.301 0.038 19682 10123 1 20 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.199 0.805 19682 10124 1 20 . 1 1 76 76 PRO CB C 76 32.136 32.136 32.484 -0.348 19682 10125 1 20 . 1 1 77 77 LYS N N 77 121.662 121.662 120.774 0.888 19682 10126 1 20 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.122 0.213 19682 10127 1 20 . 1 1 77 77 LYS C C 77 177.278 177.278 177.836 -0.558 19682 10128 1 20 . 1 1 77 77 LYS CA C 77 56.298 56.298 56.706 -0.408 19682 10129 1 20 . 1 1 77 77 LYS CB C 77 32.777 32.777 30.514 2.263 19682 10130 1 20 . 1 1 77 77 LYS H H 77 8.516 8.516 8.460 0.056 19682 10131 1 20 . 1 1 78 78 GLY N N 78 110.250 110.250 114.752 -4.502 19682 10132 1 20 . 1 1 78 78 GLY C C 78 172.995 172.995 173.897 -0.902 19682 10133 1 20 . 1 1 78 78 GLY CA C 78 44.546 44.546 44.790 -0.244 19682 10134 1 20 . 1 1 78 78 GLY H H 78 8.150 8.150 7.860 0.290 19682 10135 1 20 . 1 1 79 79 GLU N N 79 121.820 121.820 121.222 0.598 19682 10136 1 20 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.342 0.027 19682 10137 1 20 . 1 1 79 79 GLU C C 79 175.847 175.847 175.593 0.254 19682 10138 1 20 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.519 0.459 19682 10139 1 20 . 1 1 79 79 GLU CB C 79 30.638 30.638 30.131 0.507 19682 10140 1 20 . 1 1 79 79 GLU H H 79 8.342 8.342 8.456 -0.114 19682 10141 1 20 . 1 1 80 80 TRP N N 80 126.690 126.690 125.080 1.610 19682 10142 1 20 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.898 -0.384 19682 10143 1 20 . 1 1 80 80 TRP C C 80 172.733 172.733 174.364 -1.631 19682 10144 1 20 . 1 1 80 80 TRP CA C 80 59.568 59.568 57.038 2.530 19682 10145 1 20 . 1 1 80 80 TRP CB C 80 30.409 30.409 30.745 -0.336 19682 10146 1 20 . 1 1 80 80 TRP H H 80 9.370 9.370 8.695 0.675 19682 10147 1 20 . 1 1 81 81 LEU N N 81 125.572 125.572 127.899 -2.327 19682 10148 1 20 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.196 0.825 19682 10149 1 20 . 1 1 81 81 LEU C C 81 174.617 174.617 175.528 -0.911 19682 10150 1 20 . 1 1 81 81 LEU CA C 81 51.434 51.434 53.007 -1.573 19682 10151 1 20 . 1 1 81 81 LEU CB C 81 44.860 44.860 42.696 2.164 19682 10152 1 20 . 1 1 81 81 LEU H H 81 6.540 6.540 7.917 -1.377 19682 10153 1 20 . 1 1 82 82 CYS N N 82 125.868 125.868 120.866 5.002 19682 10154 1 20 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.769 -0.240 19682 10155 1 20 . 1 1 82 82 CYS C C 82 172.652 172.652 174.997 -2.345 19682 10156 1 20 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.265 1.297 19682 10157 1 20 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.440 3.104 19682 10158 1 20 . 1 1 82 82 CYS H H 82 9.086 9.086 7.898 1.188 19682 10159 1 20 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.045 0.023 19682 10160 1 20 . 1 1 83 83 PRO C C 83 178.541 178.541 178.370 0.171 19682 10161 1 20 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.267 0.000 19682 10162 1 20 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.552 0.657 19682 10163 1 20 . 1 1 84 84 ARG N N 84 117.140 117.140 117.390 -0.250 19682 10164 1 20 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.095 0.102 19682 10165 1 20 . 1 1 84 84 ARG C C 84 177.983 177.983 177.830 0.153 19682 10166 1 20 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.885 -0.348 19682 10167 1 20 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.167 1.648 19682 10168 1 20 . 1 1 84 84 ARG H H 84 8.041 8.041 8.430 -0.389 19682 10169 1 20 . 1 1 85 85 CYS N N 85 123.417 123.417 116.465 6.952 19682 10170 1 20 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.262 -0.359 19682 10171 1 20 . 1 1 85 85 CYS C C 85 177.298 177.298 176.610 0.688 19682 10172 1 20 . 1 1 85 85 CYS CA C 85 64.168 64.168 60.688 3.480 19682 10173 1 20 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.300 3.738 19682 10174 1 20 . 1 1 85 85 CYS H H 85 8.210 8.210 7.396 0.814 19682 10175 1 20 . 1 1 86 86 VAL N N 86 118.037 118.037 118.809 -0.772 19682 10176 1 20 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.761 -0.121 19682 10177 1 20 . 1 1 86 86 VAL C C 86 176.623 176.623 177.363 -0.740 19682 10178 1 20 . 1 1 86 86 VAL CA C 86 64.508 64.508 64.984 -0.476 19682 10179 1 20 . 1 1 86 86 VAL CB C 86 31.802 31.802 32.291 -0.489 19682 10180 1 20 . 1 1 86 86 VAL H H 86 7.951 7.951 7.653 0.298 19682 10181 1 20 . 1 1 87 87 VAL N N 87 119.227 119.227 112.438 6.789 19682 10182 1 20 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.561 0.415 19682 10183 1 20 . 1 1 87 87 VAL C C 87 176.774 176.774 174.962 1.812 19682 10184 1 20 . 1 1 87 87 VAL CA C 87 63.182 63.182 64.088 -0.906 19682 10185 1 20 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.213 0.997 19682 10186 1 20 . 1 1 87 87 VAL H H 87 7.255 7.255 7.964 -0.709 19682 10187 1 20 . 1 1 88 88 GLU N N 88 122.469 122.469 117.420 5.049 19682 10188 1 20 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.006 0.193 19682 10189 1 20 . 1 1 88 88 GLU C C 88 176.623 176.623 175.179 1.444 19682 10190 1 20 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.638 0.312 19682 10191 1 20 . 1 1 88 88 GLU CB C 88 30.090 30.090 30.278 -0.188 19682 10192 1 20 . 1 1 88 88 GLU H H 88 7.986 7.986 7.817 0.169 19682 10193 1 20 . 1 1 89 89 GLU N N 89 121.343 121.343 121.475 -0.132 19682 10194 1 20 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.097 0.092 19682 10195 1 20 . 1 1 89 89 GLU C C 89 176.744 176.744 176.774 -0.030 19682 10196 1 20 . 1 1 89 89 GLU CA C 89 56.956 56.956 57.749 -0.793 19682 10197 1 20 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.875 0.037 19682 10198 1 20 . 1 1 89 89 GLU H H 89 8.168 8.168 8.409 -0.241 19682 10199 1 20 . 1 1 90 90 VAL N N 90 120.127 120.127 117.368 2.759 19682 10200 1 20 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.339 -0.255 19682 10201 1 20 . 1 1 90 90 VAL C C 90 176.290 176.290 174.900 1.390 19682 10202 1 20 . 1 1 90 90 VAL CA C 90 62.592 62.592 61.479 1.113 19682 10203 1 20 . 1 1 90 90 VAL CB C 90 32.527 32.527 30.480 2.047 19682 10204 1 20 . 1 1 90 90 VAL H H 90 8.027 8.027 7.728 0.299 19682 10205 1 20 . 1 1 91 91 SER N N 91 118.678 118.678 123.371 -4.693 19682 10206 1 20 . 1 1 91 91 SER HA H 91 4.439 4.439 4.533 -0.094 19682 10207 1 20 . 1 1 91 91 SER C C 91 173.932 173.932 174.854 -0.922 19682 10208 1 20 . 1 1 91 91 SER CA C 91 58.189 58.189 58.478 -0.289 19682 10209 1 20 . 1 1 91 91 SER CB C 91 63.706 63.706 64.381 -0.675 19682 10210 1 20 . 1 1 91 91 SER H H 91 8.222 8.222 8.273 -0.051 19682 10211 1 20 . 1 1 92 92 LYS N N 92 124.547 124.547 123.382 1.165 19682 10212 1 20 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.535 0.072 19682 10213 1 20 . 1 1 92 92 LYS C C 92 174.395 174.395 175.098 -0.703 19682 10214 1 20 . 1 1 92 92 LYS CA C 92 54.272 54.272 55.157 -0.885 19682 10215 1 20 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.098 0.548 19682 10216 1 20 . 1 1 92 92 LYS H H 92 8.165 8.165 8.481 -0.316 19682 10217 1 20 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.385 0.034 19682 10218 1 20 . 1 1 93 93 PRO C C 93 176.194 176.194 176.825 -0.631 19682 10219 1 20 . 1 1 93 93 PRO CA C 93 63.418 63.418 62.873 0.545 19682 10220 1 20 . 1 1 93 93 PRO CB C 93 31.896 31.896 32.248 -0.353 19682 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 82 3.485 0.838 3.403 19682 2 1 1 "Average Difference" HA 100 0.256 0.038 0.254 19682 3 1 1 "Average Difference" C 89 0.944 -0.031 0.949 19682 4 1 1 "Average Difference" CA 92 1.351 -0.101 1.354 19682 5 1 1 "Average Difference" CB 83 1.581 -0.553 1.490 19682 6 1 1 "Average Difference" HN 83 0.547 -0.115 0.538 19682 7 1 2 "Average Difference" N 82 3.043 0.086 3.061 19682 8 1 2 "Average Difference" HA 100 0.265 -0.059 0.260 19682 9 1 2 "Average Difference" C 89 0.866 -0.046 0.869 19682 10 1 2 "Average Difference" CA 92 1.199 -0.098 1.201 19682 11 1 2 "Average Difference" CB 83 1.607 -0.646 1.480 19682 12 1 2 "Average Difference" HN 83 0.549 -0.156 0.529 19682 13 1 3 "Average Difference" N 82 3.019 0.853 2.914 19682 14 1 3 "Average Difference" HA 100 0.269 0.015 0.270 19682 15 1 3 "Average Difference" C 89 0.947 -0.040 0.951 19682 16 1 3 "Average Difference" CA 92 1.146 -0.124 1.145 19682 17 1 3 "Average Difference" CB 83 1.581 -0.607 1.469 19682 18 1 3 "Average Difference" HN 83 0.575 -0.125 0.564 19682 19 1 4 "Average Difference" N 82 3.665 0.019 3.687 19682 20 1 4 "Average Difference" HA 100 0.265 -0.007 0.266 19682 21 1 4 "Average Difference" C 89 0.992 -0.116 0.991 19682 22 1 4 "Average Difference" CA 92 1.261 0.023 1.268 19682 23 1 4 "Average Difference" CB 83 1.707 -0.602 1.607 19682 24 1 4 "Average Difference" HN 83 0.621 -0.182 0.597 19682 25 1 5 "Average Difference" N 82 3.541 -0.056 3.563 19682 26 1 5 "Average Difference" HA 100 0.226 0.003 0.228 19682 27 1 5 "Average Difference" C 89 0.950 -0.034 0.955 19682 28 1 5 "Average Difference" CA 92 1.029 -0.041 1.034 19682 29 1 5 "Average Difference" CB 83 1.576 -0.554 1.484 19682 30 1 5 "Average Difference" HN 83 0.580 -0.158 0.561 19682 31 1 6 "Average Difference" N 82 3.131 0.433 3.120 19682 32 1 6 "Average Difference" HA 100 0.240 -0.008 0.241 19682 33 1 6 "Average Difference" C 89 0.858 0.006 0.863 19682 34 1 6 "Average Difference" CA 92 1.184 0.013 1.191 19682 35 1 6 "Average Difference" CB 83 1.687 -0.630 1.575 19682 36 1 6 "Average Difference" HN 83 0.585 -0.101 0.579 19682 37 1 7 "Average Difference" N 82 3.550 1.065 3.407 19682 38 1 7 "Average Difference" HA 100 0.240 -0.013 0.241 19682 39 1 7 "Average Difference" C 89 0.969 0.089 0.970 19682 40 1 7 "Average Difference" CA 92 1.252 0.051 1.258 19682 41 1 7 "Average Difference" CB 83 1.625 -0.658 1.495 19682 42 1 7 "Average Difference" HN 83 0.560 -0.161 0.539 19682 43 1 8 "Average Difference" N 82 3.057 0.442 3.044 19682 44 1 8 "Average Difference" HA 100 0.235 -0.015 0.236 19682 45 1 8 "Average Difference" C 89 0.871 -0.108 0.870 19682 46 1 8 "Average Difference" CA 92 1.072 -0.015 1.078 19682 47 1 8 "Average Difference" CB 83 1.543 -0.539 1.455 19682 48 1 8 "Average Difference" HN 83 0.536 -0.119 0.526 19682 49 1 9 "Average Difference" N 82 3.145 0.655 3.095 19682 50 1 9 "Average Difference" HA 100 0.267 0.004 0.269 19682 51 1 9 "Average Difference" C 89 0.933 -0.120 0.931 19682 52 1 9 "Average Difference" CA 92 1.139 0.026 1.145 19682 53 1 9 "Average Difference" CB 83 1.545 -0.629 1.420 19682 54 1 9 "Average Difference" HN 83 0.554 -0.097 0.548 19682 55 1 10 "Average Difference" N 82 3.223 0.104 3.241 19682 56 1 10 "Average Difference" HA 100 0.259 0.023 0.259 19682 57 1 10 "Average Difference" C 89 1.026 -0.218 1.008 19682 58 1 10 "Average Difference" CA 92 1.081 -0.068 1.085 19682 59 1 10 "Average Difference" CB 83 1.566 -0.483 1.499 19682 60 1 10 "Average Difference" HN 83 0.544 -0.146 0.527 19682 61 1 11 "Average Difference" N 82 3.279 0.344 3.281 19682 62 1 11 "Average Difference" HA 100 0.259 0.043 0.256 19682 63 1 11 "Average Difference" C 89 0.917 -0.133 0.912 19682 64 1 11 "Average Difference" CA 92 1.223 -0.122 1.223 19682 65 1 11 "Average Difference" CB 83 1.691 -0.550 1.609 19682 66 1 11 "Average Difference" HN 83 0.554 -0.143 0.539 19682 67 1 12 "Average Difference" N 82 3.030 0.251 3.039 19682 68 1 12 "Average Difference" HA 100 0.266 0.045 0.264 19682 69 1 12 "Average Difference" C 89 1.105 -0.288 1.072 19682 70 1 12 "Average Difference" CA 92 1.196 -0.175 1.190 19682 71 1 12 "Average Difference" CB 83 1.541 -0.448 1.484 19682 72 1 12 "Average Difference" HN 83 0.535 -0.080 0.533 19682 73 1 13 "Average Difference" N 82 3.622 0.497 3.610 19682 74 1 13 "Average Difference" HA 100 0.245 0.006 0.246 19682 75 1 13 "Average Difference" C 89 0.976 -0.101 0.977 19682 76 1 13 "Average Difference" CA 92 1.202 -0.015 1.209 19682 77 1 13 "Average Difference" CB 83 1.745 -0.634 1.636 19682 78 1 13 "Average Difference" HN 83 0.607 -0.142 0.594 19682 79 1 14 "Average Difference" N 82 3.304 0.221 3.317 19682 80 1 14 "Average Difference" HA 100 0.264 0.010 0.266 19682 81 1 14 "Average Difference" C 89 0.972 0.025 0.977 19682 82 1 14 "Average Difference" CA 92 1.266 0.053 1.272 19682 83 1 14 "Average Difference" CB 83 1.703 -0.702 1.561 19682 84 1 14 "Average Difference" HN 83 0.560 -0.152 0.543 19682 85 1 15 "Average Difference" N 82 3.226 0.345 3.227 19682 86 1 15 "Average Difference" HA 100 0.246 -0.011 0.247 19682 87 1 15 "Average Difference" C 89 0.967 -0.181 0.955 19682 88 1 15 "Average Difference" CA 92 1.075 0.019 1.080 19682 89 1 15 "Average Difference" CB 83 1.658 -0.687 1.517 19682 90 1 15 "Average Difference" HN 83 0.571 -0.131 0.559 19682 91 1 16 "Average Difference" N 82 2.922 0.231 2.931 19682 92 1 16 "Average Difference" HA 100 0.305 0.059 0.301 19682 93 1 16 "Average Difference" C 89 1.137 -0.290 1.105 19682 94 1 16 "Average Difference" CA 92 1.175 -0.098 1.177 19682 95 1 16 "Average Difference" CB 83 1.572 -0.558 1.479 19682 96 1 16 "Average Difference" HN 83 0.652 -0.070 0.653 19682 97 1 17 "Average Difference" N 82 3.069 0.088 3.087 19682 98 1 17 "Average Difference" HA 100 0.271 -0.004 0.273 19682 99 1 17 "Average Difference" C 89 0.965 -0.064 0.968 19682 100 1 17 "Average Difference" CA 92 1.065 -0.023 1.071 19682 101 1 17 "Average Difference" CB 83 1.618 -0.490 1.552 19682 102 1 17 "Average Difference" HN 83 0.531 -0.125 0.519 19682 103 1 18 "Average Difference" N 82 3.092 0.377 3.088 19682 104 1 18 "Average Difference" HA 100 0.231 0.018 0.232 19682 105 1 18 "Average Difference" C 89 1.031 -0.128 1.029 19682 106 1 18 "Average Difference" CA 92 1.049 0.031 1.054 19682 107 1 18 "Average Difference" CB 83 1.661 -0.642 1.541 19682 108 1 18 "Average Difference" HN 83 0.525 -0.119 0.515 19682 109 1 19 "Average Difference" N 82 3.390 0.980 3.265 19682 110 1 19 "Average Difference" HA 100 0.286 0.026 0.286 19682 111 1 19 "Average Difference" C 89 0.961 -0.175 0.950 19682 112 1 19 "Average Difference" CA 92 1.213 -0.047 1.219 19682 113 1 19 "Average Difference" CB 83 1.787 -0.544 1.713 19682 114 1 19 "Average Difference" HN 83 0.575 -0.116 0.567 19682 115 1 20 "Average Difference" N 82 3.251 0.347 3.252 19682 116 1 20 "Average Difference" HA 100 0.239 -0.020 0.239 19682 117 1 20 "Average Difference" C 89 0.955 -0.122 0.953 19682 118 1 20 "Average Difference" CA 92 1.066 -0.027 1.071 19682 119 1 20 "Average Difference" CB 83 1.606 -0.594 1.501 19682 120 1 20 "Average Difference" HN 83 0.532 -0.065 0.531 19682 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 19682 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 HIS HA H 2 4.750 4.750 4.719 0.031 19682 2 1 . 1 1 2 2 HIS CA C 2 56.292 56.292 55.960 0.332 19682 3 1 . 1 1 2 2 HIS CB C 2 30.558 30.558 30.199 0.359 19682 4 1 . 1 1 2 2 HIS H H 2 8.134 8.134 8.393 -0.259 19682 5 1 . 1 1 3 3 MET N N 3 123.164 123.164 124.010 -0.846 19682 6 1 . 1 1 3 3 MET HA H 3 4.494 4.494 4.518 -0.024 19682 7 1 . 1 1 3 3 MET C C 3 176.078 176.078 176.038 0.040 19682 8 1 . 1 1 3 3 MET CA C 3 55.504 55.504 54.921 0.583 19682 9 1 . 1 1 3 3 MET CB C 3 32.860 32.860 32.557 0.303 19682 10 1 . 1 1 3 3 MET H H 3 8.419 8.419 8.279 0.140 19682 11 1 . 1 1 4 4 SER N N 4 117.403 117.403 118.891 -1.488 19682 12 1 . 1 1 4 4 SER HA H 4 4.439 4.439 4.492 -0.053 19682 13 1 . 1 1 4 4 SER C C 4 175.011 175.011 175.231 -0.220 19682 14 1 . 1 1 4 4 SER CA C 4 58.516 58.516 58.401 0.115 19682 15 1 . 1 1 4 4 SER CB C 4 63.773 63.773 62.819 0.954 19682 16 1 . 1 1 4 4 SER H H 4 8.416 8.416 8.349 0.067 19682 17 1 . 1 1 5 5 GLY N N 5 111.174 111.174 112.320 -1.146 19682 18 1 . 1 1 5 5 GLY C C 5 174.567 174.567 174.455 0.112 19682 19 1 . 1 1 5 5 GLY CA C 5 45.185 45.185 44.968 0.217 19682 20 1 . 1 1 5 5 GLY H H 5 8.475 8.475 8.269 0.206 19682 21 1 . 1 1 6 6 GLY N N 6 108.594 108.594 109.905 -1.311 19682 22 1 . 1 1 6 6 GLY C C 6 173.781 173.781 174.228 -0.447 19682 23 1 . 1 1 6 6 GLY CA C 6 44.983 44.983 45.238 -0.255 19682 24 1 . 1 1 6 6 GLY H H 6 8.274 8.274 8.166 0.108 19682 25 1 . 1 1 7 7 SER N N 7 116.558 116.558 117.468 -0.911 19682 26 1 . 1 1 7 7 SER C C 7 172.995 172.995 172.823 0.172 19682 27 1 . 1 1 7 7 SER CA C 7 56.387 56.387 56.384 0.003 19682 28 1 . 1 1 7 7 SER CB C 7 63.508 63.508 64.273 -0.765 19682 29 1 . 1 1 7 7 SER H H 7 8.220 8.220 8.087 0.133 19682 30 1 . 1 1 8 8 PRO HA H 8 4.454 4.454 4.598 -0.144 19682 31 1 . 1 1 8 8 PRO C C 8 176.864 176.864 176.180 0.684 19682 32 1 . 1 1 8 8 PRO CA C 8 63.349 63.349 62.761 0.588 19682 33 1 . 1 1 8 8 PRO CB C 8 32.010 32.010 31.601 0.409 19682 34 1 . 1 1 9 9 LEU N N 9 121.497 121.497 122.804 -1.307 19682 35 1 . 1 1 9 9 LEU HA H 9 4.304 4.304 4.459 -0.155 19682 36 1 . 1 1 9 9 LEU C C 9 177.237 177.237 176.657 0.580 19682 37 1 . 1 1 9 9 LEU CA C 9 55.023 55.023 54.561 0.462 19682 38 1 . 1 1 9 9 LEU CB C 9 42.353 42.353 41.498 0.855 19682 39 1 . 1 1 9 9 LEU H H 9 8.196 8.196 8.168 0.028 19682 40 1 . 1 1 10 10 ALA N N 10 124.964 124.964 126.438 -1.474 19682 41 1 . 1 1 10 10 ALA HA H 10 4.402 4.402 4.462 -0.060 19682 42 1 . 1 1 10 10 ALA C C 10 177.812 177.812 177.208 0.604 19682 43 1 . 1 1 10 10 ALA CA C 10 52.408 52.408 51.956 0.452 19682 44 1 . 1 1 10 10 ALA CB C 10 19.238 19.238 18.969 0.269 19682 45 1 . 1 1 10 10 ALA H H 10 8.242 8.242 8.299 -0.057 19682 46 1 . 1 1 11 11 THR N N 11 112.852 112.852 117.158 -4.306 19682 47 1 . 1 1 11 11 THR HA H 11 4.341 4.341 4.369 -0.028 19682 48 1 . 1 1 11 11 THR C C 11 175.181 175.181 174.942 0.239 19682 49 1 . 1 1 11 11 THR CA C 11 61.870 61.870 62.385 -0.515 19682 50 1 . 1 1 11 11 THR CB C 11 69.622 69.622 68.948 0.674 19682 51 1 . 1 1 11 11 THR H H 11 8.081 8.081 8.244 -0.163 19682 52 1 . 1 1 12 12 GLY N N 12 110.929 110.929 113.177 -2.248 19682 53 1 . 1 1 12 12 GLY C C 12 174.395 174.395 173.919 0.475 19682 54 1 . 1 1 12 12 GLY CA C 12 45.376 45.376 44.989 0.387 19682 55 1 . 1 1 12 12 GLY H H 12 8.408 8.408 8.286 0.122 19682 56 1 . 1 1 13 13 THR N N 13 113.482 113.482 116.268 -2.786 19682 57 1 . 1 1 13 13 THR HA H 13 4.445 4.445 4.381 0.064 19682 58 1 . 1 1 13 13 THR C C 13 174.889 174.889 174.204 0.685 19682 59 1 . 1 1 13 13 THR CA C 13 61.816 61.816 62.394 -0.578 19682 60 1 . 1 1 13 13 THR CB C 13 69.812 69.812 69.232 0.580 19682 61 1 . 1 1 13 13 THR H H 13 8.130 8.130 7.990 0.140 19682 62 1 . 1 1 14 14 THR N N 14 116.080 116.080 119.531 -3.451 19682 63 1 . 1 1 14 14 THR HA H 14 4.370 4.370 4.520 -0.150 19682 64 1 . 1 1 14 14 THR C C 14 174.385 174.385 173.581 0.804 19682 65 1 . 1 1 14 14 THR CA C 14 61.788 61.788 61.746 0.042 19682 66 1 . 1 1 14 14 THR CB C 14 69.696 69.696 69.716 -0.020 19682 67 1 . 1 1 14 14 THR H H 14 8.199 8.199 8.154 0.045 19682 68 1 . 1 1 15 15 ALA N N 15 126.054 126.054 128.401 -2.347 19682 69 1 . 1 1 15 15 ALA HA H 15 4.301 4.301 4.419 -0.118 19682 70 1 . 1 1 15 15 ALA C C 15 177.469 177.469 176.677 0.792 19682 71 1 . 1 1 15 15 ALA CA C 15 52.846 52.846 52.009 0.837 19682 72 1 . 1 1 15 15 ALA CB C 15 19.184 19.184 19.168 0.016 19682 73 1 . 1 1 15 15 ALA H H 15 8.349 8.349 8.341 0.008 19682 74 1 . 1 1 16 16 ASN N N 16 117.718 117.718 121.237 -3.519 19682 75 1 . 1 1 16 16 ASN HA H 16 4.744 4.744 4.772 -0.028 19682 76 1 . 1 1 16 16 ASN C C 16 175.575 175.575 174.662 0.913 19682 77 1 . 1 1 16 16 ASN CA C 16 53.197 53.197 53.136 0.061 19682 78 1 . 1 1 16 16 ASN CB C 16 38.732 38.732 39.131 -0.399 19682 79 1 . 1 1 16 16 ASN H H 16 8.403 8.403 8.404 -0.001 19682 80 1 . 1 1 17 17 THR N N 17 114.153 114.153 116.696 -2.543 19682 81 1 . 1 1 17 17 THR HA H 17 4.312 4.312 4.419 -0.106 19682 82 1 . 1 1 17 17 THR C C 17 174.799 174.799 174.289 0.510 19682 83 1 . 1 1 17 17 THR CA C 17 61.973 61.973 62.250 -0.277 19682 84 1 . 1 1 17 17 THR CB C 17 69.624 69.624 69.188 0.436 19682 85 1 . 1 1 17 17 THR H H 17 8.081 8.081 8.271 -0.190 19682 86 1 . 1 1 18 18 ARG N N 18 122.990 122.990 125.145 -2.155 19682 87 1 . 1 1 18 18 ARG HA H 18 4.325 4.325 4.553 -0.228 19682 88 1 . 1 1 18 18 ARG C C 18 176.875 176.875 175.888 0.987 19682 89 1 . 1 1 18 18 ARG CA C 18 56.551 56.551 55.865 0.686 19682 90 1 . 1 1 18 18 ARG CB C 18 30.587 30.587 30.733 -0.146 19682 91 1 . 1 1 18 18 ARG H H 18 8.351 8.351 8.467 -0.116 19682 92 1 . 1 1 19 19 GLY N N 19 109.993 109.993 109.750 0.243 19682 93 1 . 1 1 19 19 GLY C C 19 174.002 174.002 173.659 0.343 19682 94 1 . 1 1 19 19 GLY CA C 19 45.314 45.314 44.920 0.394 19682 95 1 . 1 1 19 19 GLY H H 19 8.394 8.394 8.481 -0.087 19682 96 1 . 1 1 20 20 ALA N N 20 123.732 123.732 125.407 -1.675 19682 97 1 . 1 1 20 20 ALA HA H 20 4.342 4.342 4.547 -0.205 19682 98 1 . 1 1 20 20 ALA C C 20 178.034 178.034 177.161 0.873 19682 99 1 . 1 1 20 20 ALA CA C 20 52.650 52.650 52.113 0.537 19682 100 1 . 1 1 20 20 ALA CB C 20 19.221 19.221 19.632 -0.411 19682 101 1 . 1 1 20 20 ALA H H 20 8.185 8.185 8.062 0.123 19682 102 1 . 1 1 21 21 SER N N 21 114.750 114.750 117.939 -3.189 19682 103 1 . 1 1 21 21 SER HA H 21 4.419 4.419 4.499 -0.080 19682 104 1 . 1 1 21 21 SER C C 21 174.627 174.627 174.070 0.557 19682 105 1 . 1 1 21 21 SER CA C 21 58.495 58.495 58.438 0.057 19682 106 1 . 1 1 21 21 SER CB C 21 63.697 63.697 63.485 0.212 19682 107 1 . 1 1 21 21 SER H H 21 8.319 8.319 8.364 -0.045 19682 108 1 . 1 1 22 22 GLN N N 22 122.092 122.092 122.830 -0.737 19682 109 1 . 1 1 22 22 GLN HA H 22 4.344 4.344 4.414 -0.070 19682 110 1 . 1 1 22 22 GLN C C 22 175.857 175.857 175.409 0.447 19682 111 1 . 1 1 22 22 GLN CA C 22 55.775 55.775 55.873 -0.098 19682 112 1 . 1 1 22 22 GLN CB C 22 29.398 29.398 29.170 0.228 19682 113 1 . 1 1 22 22 GLN H H 22 8.343 8.343 8.302 0.041 19682 114 1 . 1 1 23 23 LYS N N 23 122.663 122.663 123.250 -0.587 19682 115 1 . 1 1 23 23 LYS HA H 23 4.297 4.297 4.350 -0.053 19682 116 1 . 1 1 23 23 LYS C C 23 176.502 176.502 176.184 0.318 19682 117 1 . 1 1 23 23 LYS CA C 23 56.315 56.315 56.671 -0.356 19682 118 1 . 1 1 23 23 LYS CB C 23 33.048 33.048 32.753 0.295 19682 119 1 . 1 1 23 23 LYS H H 23 8.309 8.309 8.402 -0.093 19682 120 1 . 1 1 24 24 LYS N N 24 123.434 123.434 121.202 2.232 19682 121 1 . 1 1 24 24 LYS HA H 24 4.326 4.326 4.390 -0.064 19682 122 1 . 1 1 24 24 LYS C C 24 177.026 177.026 176.361 0.665 19682 123 1 . 1 1 24 24 LYS CA C 24 56.359 56.359 56.270 0.089 19682 124 1 . 1 1 24 24 LYS CB C 24 32.993 32.993 32.903 0.090 19682 125 1 . 1 1 24 24 LYS H H 24 8.469 8.469 8.223 0.246 19682 126 1 . 1 1 25 25 GLY N N 25 110.813 110.813 109.330 1.483 19682 127 1 . 1 1 25 25 GLY C C 25 174.476 174.476 174.556 -0.080 19682 128 1 . 1 1 25 25 GLY CA C 25 45.274 45.274 44.992 0.282 19682 129 1 . 1 1 25 25 GLY H H 25 8.531 8.531 8.513 0.018 19682 130 1 . 1 1 26 26 GLY N N 26 108.690 108.690 109.044 -0.354 19682 131 1 . 1 1 26 26 GLY C C 26 173.851 173.851 173.977 -0.126 19682 132 1 . 1 1 26 26 GLY CA C 26 45.069 45.069 44.951 0.118 19682 133 1 . 1 1 26 26 GLY H H 26 8.279 8.279 8.226 0.053 19682 134 1 . 1 1 27 27 GLU N N 27 121.707 121.707 121.458 0.249 19682 135 1 . 1 1 27 27 GLU HA H 27 4.584 4.584 4.467 0.117 19682 136 1 . 1 1 27 27 GLU C C 27 174.204 174.204 174.698 -0.494 19682 137 1 . 1 1 27 27 GLU CA C 27 54.440 54.440 54.723 -0.283 19682 138 1 . 1 1 27 27 GLU CB C 27 29.437 29.437 30.161 -0.724 19682 139 1 . 1 1 27 27 GLU H H 27 8.321 8.321 8.230 0.091 19682 140 1 . 1 1 28 28 PRO HA H 28 4.394 4.394 4.676 -0.282 19682 141 1 . 1 1 28 28 PRO CA C 28 62.811 62.811 61.620 1.191 19682 142 1 . 1 1 28 28 PRO CB C 28 32.158 32.158 31.572 0.586 19682 143 1 . 1 1 29 29 PRO HA H 29 4.397 4.397 4.424 -0.027 19682 144 1 . 1 1 29 29 PRO C C 29 176.462 176.462 176.287 0.175 19682 145 1 . 1 1 29 29 PRO CA C 29 62.844 62.844 62.852 -0.008 19682 146 1 . 1 1 29 29 PRO CB C 29 31.961 31.961 31.445 0.516 19682 147 1 . 1 1 30 30 ALA N N 30 123.850 123.850 125.816 -1.966 19682 148 1 . 1 1 30 30 ALA HA H 30 4.274 4.274 4.335 -0.061 19682 149 1 . 1 1 30 30 ALA C C 30 177.368 177.368 177.296 0.072 19682 150 1 . 1 1 30 30 ALA CA C 30 52.257 52.257 52.363 -0.106 19682 151 1 . 1 1 30 30 ALA CB C 30 19.237 19.237 19.251 -0.014 19682 152 1 . 1 1 30 30 ALA H H 30 8.290 8.290 8.227 0.063 19682 153 1 . 1 1 31 31 LEU N N 31 121.430 121.430 122.399 -0.969 19682 154 1 . 1 1 31 31 LEU HA H 31 4.333 4.333 4.426 -0.094 19682 155 1 . 1 1 31 31 LEU C C 31 176.804 176.804 176.565 0.239 19682 156 1 . 1 1 31 31 LEU CA C 31 55.015 55.015 54.609 0.406 19682 157 1 . 1 1 31 31 LEU CB C 31 42.444 42.444 41.919 0.525 19682 158 1 . 1 1 31 31 LEU H H 31 8.139 8.139 8.166 -0.027 19682 159 1 . 1 1 32 32 ILE N N 32 123.070 123.070 121.990 1.080 19682 160 1 . 1 1 32 32 ILE HA H 32 4.168 4.168 4.079 0.089 19682 161 1 . 1 1 32 32 ILE C C 32 175.887 175.887 175.990 -0.103 19682 162 1 . 1 1 32 32 ILE CA C 32 60.690 60.690 61.576 -0.886 19682 163 1 . 1 1 32 32 ILE CB C 32 38.477 38.477 37.552 0.925 19682 164 1 . 1 1 32 32 ILE H H 32 8.140 8.140 8.151 -0.011 19682 165 1 . 1 1 33 33 VAL N N 33 124.923 124.923 123.584 1.339 19682 166 1 . 1 1 33 33 VAL HA H 33 4.087 4.087 4.086 0.001 19682 167 1 . 1 1 33 33 VAL C C 33 175.232 175.232 175.396 -0.164 19682 168 1 . 1 1 33 33 VAL CA C 33 61.851 61.851 62.586 -0.735 19682 169 1 . 1 1 33 33 VAL CB C 33 32.920 32.920 31.862 1.058 19682 170 1 . 1 1 33 33 VAL H H 33 8.198 8.198 8.162 0.036 19682 171 1 . 1 1 34 34 ASP N N 34 125.813 125.813 123.491 2.322 19682 172 1 . 1 1 34 34 ASP HA H 34 4.860 4.860 4.811 0.049 19682 173 1 . 1 1 34 34 ASP C C 34 174.919 174.919 175.026 -0.107 19682 174 1 . 1 1 34 34 ASP CA C 34 51.926 51.926 52.644 -0.718 19682 175 1 . 1 1 34 34 ASP CB C 34 41.504 41.504 41.670 -0.165 19682 176 1 . 1 1 34 34 ASP H H 34 8.336 8.336 8.094 0.242 19682 177 1 . 1 1 35 35 PRO HA H 35 4.364 4.364 4.458 -0.094 19682 178 1 . 1 1 35 35 PRO C C 35 177.091 177.091 176.843 0.248 19682 179 1 . 1 1 35 35 PRO CA C 35 63.514 63.514 63.614 -0.100 19682 180 1 . 1 1 35 35 PRO CB C 35 32.173 32.173 32.126 0.047 19682 181 1 . 1 1 36 36 LEU N N 36 119.977 119.977 116.731 3.246 19682 182 1 . 1 1 36 36 LEU HA H 36 4.256 4.256 4.283 -0.026 19682 183 1 . 1 1 36 36 LEU C C 36 177.479 177.479 176.565 0.914 19682 184 1 . 1 1 36 36 LEU CA C 36 55.226 55.226 55.245 -0.019 19682 185 1 . 1 1 36 36 LEU CB C 36 41.635 41.635 41.746 -0.111 19682 186 1 . 1 1 36 36 LEU H H 36 8.316 8.316 7.724 0.592 19682 187 1 . 1 1 37 37 MET N N 37 120.231 120.231 118.416 1.815 19682 188 1 . 1 1 37 37 MET HA H 37 4.326 4.326 4.287 0.039 19682 189 1 . 1 1 37 37 MET C C 37 175.171 175.171 175.373 -0.202 19682 190 1 . 1 1 37 37 MET CA C 37 55.160 55.160 55.876 -0.716 19682 191 1 . 1 1 37 37 MET CB C 37 32.514 32.514 32.365 0.149 19682 192 1 . 1 1 37 37 MET H H 37 7.893 7.893 7.766 0.127 19682 193 1 . 1 1 38 38 LYS N N 38 122.361 122.361 121.495 0.866 19682 194 1 . 1 1 38 38 LYS HA H 38 4.160 4.160 4.271 -0.111 19682 195 1 . 1 1 38 38 LYS C C 38 175.837 175.837 175.713 0.124 19682 196 1 . 1 1 38 38 LYS CA C 38 56.105 56.105 55.876 0.229 19682 197 1 . 1 1 38 38 LYS CB C 38 33.214 33.214 32.602 0.612 19682 198 1 . 1 1 38 38 LYS H H 38 7.929 7.929 7.926 0.003 19682 199 1 . 1 1 39 39 TYR N N 39 120.347 120.347 121.200 -0.853 19682 200 1 . 1 1 39 39 TYR HA H 39 4.570 4.570 4.369 0.201 19682 201 1 . 1 1 39 39 TYR C C 39 174.325 174.325 175.686 -1.361 19682 202 1 . 1 1 39 39 TYR CA C 39 57.424 57.424 58.496 -1.073 19682 203 1 . 1 1 39 39 TYR CB C 39 38.609 38.609 37.709 0.900 19682 204 1 . 1 1 39 39 TYR H H 39 8.020 8.020 8.257 -0.237 19682 205 1 . 1 1 40 40 ILE N N 40 119.688 119.688 119.661 0.027 19682 206 1 . 1 1 40 40 ILE HA H 40 3.975 3.975 4.075 -0.100 19682 207 1 . 1 1 40 40 ILE C C 40 175.181 175.181 175.251 -0.070 19682 208 1 . 1 1 40 40 ILE CA C 40 58.580 58.580 60.227 -1.647 19682 209 1 . 1 1 40 40 ILE CB C 40 39.694 39.694 39.060 0.634 19682 210 1 . 1 1 40 40 ILE H H 40 8.000 8.000 7.804 0.196 19682 211 1 . 1 1 41 41 CYS N N 41 129.049 129.049 126.821 2.228 19682 212 1 . 1 1 41 41 CYS HA H 41 3.972 3.972 4.329 -0.357 19682 213 1 . 1 1 41 41 CYS C C 41 177.197 177.197 176.290 0.907 19682 214 1 . 1 1 41 41 CYS CA C 41 59.057 59.057 58.475 0.581 19682 215 1 . 1 1 41 41 CYS CB C 41 31.374 31.374 26.076 5.298 19682 216 1 . 1 1 41 41 CYS H H 41 7.990 7.990 8.570 -0.580 19682 217 1 . 1 1 42 42 HIS N N 42 127.633 127.633 128.485 -0.852 19682 218 1 . 1 1 42 42 HIS HA H 42 4.132 4.132 4.226 -0.094 19682 219 1 . 1 1 42 42 HIS C C 42 174.385 174.385 175.761 -1.376 19682 220 1 . 1 1 42 42 HIS CA C 42 57.991 57.991 58.501 -0.509 19682 221 1 . 1 1 42 42 HIS CB C 42 28.700 28.700 29.752 -1.052 19682 222 1 . 1 1 42 42 HIS H H 42 8.933 8.933 8.520 0.413 19682 223 1 . 1 1 43 43 ILE N N 43 119.482 119.482 118.294 1.188 19682 224 1 . 1 1 43 43 ILE HA H 43 4.165 4.165 4.012 0.153 19682 225 1 . 1 1 43 43 ILE C C 43 176.673 176.673 176.729 -0.055 19682 226 1 . 1 1 43 43 ILE CA C 43 62.122 62.122 62.951 -0.829 19682 227 1 . 1 1 43 43 ILE CB C 43 38.334 38.334 39.061 -0.727 19682 228 1 . 1 1 43 43 ILE H H 43 8.944 8.944 7.963 0.981 19682 229 1 . 1 1 44 44 CYS N N 44 117.996 117.996 116.388 1.608 19682 230 1 . 1 1 44 44 CYS HA H 44 4.884 4.884 4.659 0.225 19682 231 1 . 1 1 44 44 CYS C C 44 176.008 176.008 175.693 0.315 19682 232 1 . 1 1 44 44 CYS CA C 44 59.001 59.001 58.636 0.364 19682 233 1 . 1 1 44 44 CYS CB C 44 31.055 31.055 28.376 2.679 19682 234 1 . 1 1 44 44 CYS H H 44 8.221 8.221 8.071 0.150 19682 235 1 . 1 1 45 45 ASN N N 45 117.410 117.410 116.848 0.562 19682 236 1 . 1 1 45 45 ASN HA H 45 4.387 4.387 4.337 0.050 19682 237 1 . 1 1 45 45 ASN C C 45 173.893 173.893 174.446 -0.553 19682 238 1 . 1 1 45 45 ASN CA C 45 55.014 55.014 55.239 -0.225 19682 239 1 . 1 1 45 45 ASN CB C 45 37.854 37.854 37.531 0.322 19682 240 1 . 1 1 45 45 ASN H H 45 8.040 8.040 8.582 -0.542 19682 241 1 . 1 1 46 46 ARG N N 46 117.127 117.127 119.923 -2.796 19682 242 1 . 1 1 46 46 ARG HA H 46 4.720 4.720 4.508 0.212 19682 243 1 . 1 1 46 46 ARG C C 46 176.865 176.865 176.420 0.445 19682 244 1 . 1 1 46 46 ARG CA C 46 55.427 55.427 55.519 -0.092 19682 245 1 . 1 1 46 46 ARG CB C 46 34.152 34.152 31.164 2.988 19682 246 1 . 1 1 46 46 ARG H H 46 8.201 8.201 7.697 0.504 19682 247 1 . 1 1 47 47 GLY N N 47 109.334 109.334 109.595 -0.262 19682 248 1 . 1 1 47 47 GLY C C 47 173.670 173.670 174.051 -0.381 19682 249 1 . 1 1 47 47 GLY CA C 47 45.017 45.017 44.921 0.096 19682 250 1 . 1 1 47 47 GLY H H 47 8.902 8.902 8.665 0.237 19682 251 1 . 1 1 48 48 ASP N N 48 117.908 117.908 120.460 -2.552 19682 252 1 . 1 1 48 48 ASP HA H 48 4.700 4.700 4.510 0.190 19682 253 1 . 1 1 48 48 ASP C C 48 173.871 173.871 176.613 -2.742 19682 254 1 . 1 1 48 48 ASP CA C 48 52.409 52.409 55.512 -3.103 19682 255 1 . 1 1 48 48 ASP CB C 48 40.859 40.859 41.412 -0.553 19682 256 1 . 1 1 48 48 ASP H H 48 8.046 8.046 8.097 -0.051 19682 257 1 . 1 1 49 49 VAL N N 49 117.921 117.921 120.832 -2.911 19682 258 1 . 1 1 49 49 VAL HA H 49 3.703 3.703 4.100 -0.397 19682 259 1 . 1 1 49 49 VAL C C 49 177.096 177.096 176.129 0.967 19682 260 1 . 1 1 49 49 VAL CA C 49 62.491 62.491 62.337 0.154 19682 261 1 . 1 1 49 49 VAL CB C 49 29.423 29.423 30.711 -1.288 19682 262 1 . 1 1 49 49 VAL H H 49 8.772 8.772 8.132 0.640 19682 263 1 . 1 1 50 50 GLU N N 50 120.434 120.434 125.154 -4.720 19682 264 1 . 1 1 50 50 GLU HA H 50 3.832 3.832 4.137 -0.305 19682 265 1 . 1 1 50 50 GLU C C 50 178.779 178.779 178.058 0.721 19682 266 1 . 1 1 50 50 GLU CA C 50 59.920 59.920 58.942 0.978 19682 267 1 . 1 1 50 50 GLU CB C 50 29.137 29.137 29.662 -0.525 19682 268 1 . 1 1 50 50 GLU H H 50 9.047 9.047 8.500 0.547 19682 269 1 . 1 1 51 51 GLU N N 51 119.158 119.158 118.930 0.228 19682 270 1 . 1 1 51 51 GLU HA H 51 4.307 4.307 4.145 0.162 19682 271 1 . 1 1 51 51 GLU C C 51 177.358 177.358 177.210 0.148 19682 272 1 . 1 1 51 51 GLU CA C 51 58.256 58.256 58.389 -0.133 19682 273 1 . 1 1 51 51 GLU CB C 51 28.225 28.225 29.392 -1.167 19682 274 1 . 1 1 51 51 GLU H H 51 9.822 9.822 8.679 1.143 19682 275 1 . 1 1 52 52 SER N N 52 116.430 116.430 113.006 3.424 19682 276 1 . 1 1 52 52 SER HA H 52 4.716 4.716 4.626 0.090 19682 277 1 . 1 1 52 52 SER C C 52 172.309 172.309 173.448 -1.139 19682 278 1 . 1 1 52 52 SER CA C 52 57.745 57.745 58.029 -0.284 19682 279 1 . 1 1 52 52 SER CB C 52 64.494 64.494 63.937 0.557 19682 280 1 . 1 1 52 52 SER H H 52 8.291 8.291 7.879 0.412 19682 281 1 . 1 1 53 53 MET N N 53 121.812 121.812 122.967 -1.155 19682 282 1 . 1 1 53 53 MET HA H 53 4.577 4.577 4.592 -0.015 19682 283 1 . 1 1 53 53 MET C C 53 174.385 174.385 175.166 -0.781 19682 284 1 . 1 1 53 53 MET CA C 53 54.784 54.784 55.328 -0.544 19682 285 1 . 1 1 53 53 MET CB C 53 33.410 33.410 33.070 0.340 19682 286 1 . 1 1 53 53 MET H H 53 7.648 7.648 7.273 0.375 19682 287 1 . 1 1 54 54 LEU N N 54 128.167 128.167 127.273 0.894 19682 288 1 . 1 1 54 54 LEU HA H 54 4.248 4.248 4.486 -0.238 19682 289 1 . 1 1 54 54 LEU C C 54 175.111 175.111 175.480 -0.369 19682 290 1 . 1 1 54 54 LEU CA C 54 53.623 53.623 53.767 -0.144 19682 291 1 . 1 1 54 54 LEU CB C 54 43.759 43.759 43.092 0.667 19682 292 1 . 1 1 54 54 LEU H H 54 9.007 9.007 8.585 0.422 19682 293 1 . 1 1 55 55 LEU N N 55 122.173 122.173 123.267 -1.094 19682 294 1 . 1 1 55 55 LEU HA H 55 4.805 4.805 4.924 -0.119 19682 295 1 . 1 1 55 55 LEU C C 55 176.260 176.260 176.100 0.160 19682 296 1 . 1 1 55 55 LEU CA C 55 53.247 53.247 53.374 -0.127 19682 297 1 . 1 1 55 55 LEU CB C 55 43.273 43.273 43.716 -0.443 19682 298 1 . 1 1 55 55 LEU H H 55 8.139 8.139 8.296 -0.157 19682 299 1 . 1 1 56 56 CYS N N 56 126.541 126.541 127.732 -1.192 19682 300 1 . 1 1 56 56 CYS HA H 56 4.726 4.726 4.764 -0.038 19682 301 1 . 1 1 56 56 CYS C C 56 177.671 177.671 175.982 1.689 19682 302 1 . 1 1 56 56 CYS CA C 56 60.220 60.220 58.622 1.598 19682 303 1 . 1 1 56 56 CYS CB C 56 31.083 31.083 26.842 4.240 19682 304 1 . 1 1 56 56 CYS H H 56 8.996 8.996 8.780 0.216 19682 305 1 . 1 1 57 57 ASP N N 57 130.338 130.338 128.818 1.520 19682 306 1 . 1 1 57 57 ASP HA H 57 4.667 4.667 4.484 0.183 19682 307 1 . 1 1 57 57 ASP C C 57 176.159 176.159 176.945 -0.786 19682 308 1 . 1 1 57 57 ASP CA C 57 57.457 57.457 56.279 1.178 19682 309 1 . 1 1 57 57 ASP CB C 57 42.201 42.201 41.016 1.185 19682 310 1 . 1 1 57 57 ASP H H 57 9.373 9.373 8.564 0.809 19682 311 1 . 1 1 58 58 GLY N N 58 114.137 114.137 107.039 7.098 19682 312 1 . 1 1 58 58 GLY C C 58 174.801 174.801 173.804 0.997 19682 313 1 . 1 1 58 58 GLY CA C 58 45.982 45.982 44.821 1.161 19682 314 1 . 1 1 58 58 GLY H H 58 10.023 10.023 8.254 1.769 19682 315 1 . 1 1 59 59 CYS N N 59 120.775 120.775 117.361 3.414 19682 316 1 . 1 1 59 59 CYS HA H 59 4.891 4.891 4.649 0.242 19682 317 1 . 1 1 59 59 CYS C C 59 175.564 175.564 173.174 2.390 19682 318 1 . 1 1 59 59 CYS CA C 59 58.741 58.741 57.982 0.759 19682 319 1 . 1 1 59 59 CYS CB C 59 33.079 33.079 29.182 3.897 19682 320 1 . 1 1 59 59 CYS H H 59 8.132 8.132 7.570 0.562 19682 321 1 . 1 1 60 60 ASP N N 60 119.232 119.232 121.102 -1.870 19682 322 1 . 1 1 60 60 ASP HA H 60 4.689 4.689 4.636 0.053 19682 323 1 . 1 1 60 60 ASP C C 60 174.738 174.738 174.845 -0.107 19682 324 1 . 1 1 60 60 ASP CA C 60 56.465 56.465 54.886 1.579 19682 325 1 . 1 1 60 60 ASP CB C 60 41.041 41.041 40.970 0.071 19682 326 1 . 1 1 60 60 ASP H H 60 8.085 8.085 8.469 -0.384 19682 327 1 . 1 1 61 61 ASP N N 61 121.704 121.704 121.184 0.520 19682 328 1 . 1 1 61 61 ASP HA H 61 4.849 4.849 4.688 0.161 19682 329 1 . 1 1 61 61 ASP C C 61 175.454 175.454 174.892 0.562 19682 330 1 . 1 1 61 61 ASP CA C 61 55.493 55.493 54.172 1.321 19682 331 1 . 1 1 61 61 ASP CB C 61 42.194 42.194 43.276 -1.082 19682 332 1 . 1 1 61 61 ASP H H 61 8.703 8.703 8.026 0.677 19682 333 1 . 1 1 62 62 SER N N 62 113.381 113.381 117.036 -3.655 19682 334 1 . 1 1 62 62 SER HA H 62 5.703 5.703 5.381 0.322 19682 335 1 . 1 1 62 62 SER C C 62 173.821 173.821 173.129 0.692 19682 336 1 . 1 1 62 62 SER CA C 62 56.165 56.165 57.512 -1.347 19682 337 1 . 1 1 62 62 SER CB C 62 65.275 65.275 65.018 0.257 19682 338 1 . 1 1 62 62 SER H H 62 8.313 8.313 8.436 -0.123 19682 339 1 . 1 1 63 63 TYR N N 63 120.467 120.467 122.540 -2.072 19682 340 1 . 1 1 63 63 TYR HA H 63 5.351 5.351 4.638 0.713 19682 341 1 . 1 1 63 63 TYR C C 63 175.393 175.393 174.846 0.547 19682 342 1 . 1 1 63 63 TYR CA C 63 56.687 56.687 56.925 -0.238 19682 343 1 . 1 1 63 63 TYR CB C 63 44.326 44.326 42.528 1.798 19682 344 1 . 1 1 63 63 TYR H H 63 8.815 8.815 8.701 0.114 19682 345 1 . 1 1 64 64 HIS N N 64 121.957 121.957 121.057 0.900 19682 346 1 . 1 1 64 64 HIS HA H 64 4.850 4.850 4.960 -0.110 19682 347 1 . 1 1 64 64 HIS C C 64 178.559 178.559 177.002 1.557 19682 348 1 . 1 1 64 64 HIS CA C 64 57.490 57.490 55.425 2.065 19682 349 1 . 1 1 64 64 HIS CB C 64 31.036 31.036 30.905 0.131 19682 350 1 . 1 1 64 64 HIS H H 64 9.276 9.276 8.137 1.139 19682 351 1 . 1 1 65 65 THR N N 65 113.100 113.100 115.836 -2.736 19682 352 1 . 1 1 65 65 THR HA H 65 3.603 3.603 3.866 -0.263 19682 353 1 . 1 1 65 65 THR C C 65 176.824 176.824 175.920 0.904 19682 354 1 . 1 1 65 65 THR CA C 65 64.805 64.805 65.939 -1.134 19682 355 1 . 1 1 65 65 THR CB C 65 66.441 66.441 68.925 -2.484 19682 356 1 . 1 1 65 65 THR H H 65 8.832 8.832 8.076 0.756 19682 357 1 . 1 1 66 66 PHE N N 66 111.288 111.288 116.500 -5.212 19682 358 1 . 1 1 66 66 PHE HA H 66 4.725 4.725 4.709 0.016 19682 359 1 . 1 1 66 66 PHE C C 66 176.846 176.846 175.969 0.877 19682 360 1 . 1 1 66 66 PHE CA C 66 56.215 56.215 57.975 -1.760 19682 361 1 . 1 1 66 66 PHE CB C 66 37.430 37.430 37.481 -0.051 19682 362 1 . 1 1 66 66 PHE H H 66 6.541 6.541 7.792 -1.251 19682 363 1 . 1 1 67 67 CYS N N 67 123.228 123.228 117.766 5.462 19682 364 1 . 1 1 67 67 CYS HA H 67 4.493 4.493 4.469 0.024 19682 365 1 . 1 1 67 67 CYS C C 67 174.627 174.627 175.268 -0.641 19682 366 1 . 1 1 67 67 CYS CA C 67 62.136 62.136 59.666 2.470 19682 367 1 . 1 1 67 67 CYS CB C 67 30.603 30.603 27.200 3.403 19682 368 1 . 1 1 67 67 CYS H H 67 7.384 7.384 7.598 -0.214 19682 369 1 . 1 1 68 68 LEU N N 68 119.645 119.645 120.419 -0.774 19682 370 1 . 1 1 68 68 LEU HA H 68 4.127 4.127 4.444 -0.317 19682 371 1 . 1 1 68 68 LEU C C 68 174.738 174.738 175.509 -0.771 19682 372 1 . 1 1 68 68 LEU CA C 68 55.011 55.011 54.604 0.407 19682 373 1 . 1 1 68 68 LEU CB C 68 44.123 44.123 43.162 0.961 19682 374 1 . 1 1 68 68 LEU H H 68 6.514 6.514 7.478 -0.964 19682 375 1 . 1 1 69 69 LEU N N 69 119.803 119.803 121.119 -1.316 19682 376 1 . 1 1 69 69 LEU HA H 69 4.683 4.683 4.842 -0.159 19682 377 1 . 1 1 69 69 LEU C C 69 174.879 174.879 175.506 -0.627 19682 378 1 . 1 1 69 69 LEU CA C 69 51.217 51.217 52.553 -1.336 19682 379 1 . 1 1 69 69 LEU CB C 69 44.335 44.335 42.370 1.965 19682 380 1 . 1 1 69 69 LEU H H 69 8.050 8.050 8.156 -0.106 19682 381 1 . 1 1 70 70 PRO HA H 70 5.034 5.034 4.782 0.252 19682 382 1 . 1 1 70 70 PRO CA C 70 62.045 62.045 61.362 0.683 19682 383 1 . 1 1 70 70 PRO CB C 70 33.033 33.033 31.520 1.513 19682 384 1 . 1 1 71 71 PRO HA H 71 4.448 4.448 4.613 -0.165 19682 385 1 . 1 1 71 71 PRO C C 71 177.632 177.632 176.882 0.750 19682 386 1 . 1 1 71 71 PRO CA C 71 62.988 62.988 62.576 0.412 19682 387 1 . 1 1 71 71 PRO CB C 71 32.129 32.129 32.566 -0.437 19682 388 1 . 1 1 72 72 LEU N N 72 121.033 121.033 125.077 -4.043 19682 389 1 . 1 1 72 72 LEU HA H 72 4.646 4.646 4.322 0.324 19682 390 1 . 1 1 72 72 LEU C C 72 177.983 177.983 177.465 0.518 19682 391 1 . 1 1 72 72 LEU CA C 72 54.037 54.037 54.743 -0.706 19682 392 1 . 1 1 72 72 LEU CB C 72 43.384 43.384 40.401 2.983 19682 393 1 . 1 1 72 72 LEU H H 72 7.660 7.660 8.113 -0.453 19682 394 1 . 1 1 73 73 THR N N 73 112.645 112.645 116.269 -3.624 19682 395 1 . 1 1 73 73 THR HA H 73 4.289 4.289 4.190 0.099 19682 396 1 . 1 1 73 73 THR C C 73 174.305 174.305 174.949 -0.644 19682 397 1 . 1 1 73 73 THR CA C 73 62.324 62.324 63.870 -1.546 19682 398 1 . 1 1 73 73 THR CB C 73 69.019 69.019 69.161 -0.142 19682 399 1 . 1 1 73 73 THR H H 73 8.694 8.694 8.183 0.511 19682 400 1 . 1 1 74 74 SER N N 74 114.234 114.234 116.224 -1.990 19682 401 1 . 1 1 74 74 SER HA H 74 4.584 4.584 4.588 -0.004 19682 402 1 . 1 1 74 74 SER C C 74 172.833 172.833 173.399 -0.567 19682 403 1 . 1 1 74 74 SER CA C 74 56.827 56.827 57.424 -0.597 19682 404 1 . 1 1 74 74 SER CB C 74 64.678 64.678 64.813 -0.135 19682 405 1 . 1 1 74 74 SER H H 74 7.503 7.503 7.756 -0.253 19682 406 1 . 1 1 75 75 ILE N N 75 123.720 123.720 124.629 -0.909 19682 407 1 . 1 1 75 75 ILE HA H 75 4.079 4.079 4.220 -0.141 19682 408 1 . 1 1 75 75 ILE C C 75 174.819 174.819 175.125 -0.306 19682 409 1 . 1 1 75 75 ILE CA C 75 58.608 58.608 58.940 -0.332 19682 410 1 . 1 1 75 75 ILE CB C 75 37.788 37.788 37.647 0.141 19682 411 1 . 1 1 75 75 ILE H H 75 8.498 8.498 8.349 0.149 19682 412 1 . 1 1 76 76 PRO HA H 76 4.408 4.408 4.525 -0.117 19682 413 1 . 1 1 76 76 PRO C C 76 176.339 176.339 176.561 -0.222 19682 414 1 . 1 1 76 76 PRO CA C 76 63.004 63.004 62.638 0.366 19682 415 1 . 1 1 76 76 PRO CB C 76 32.136 32.136 31.520 0.616 19682 416 1 . 1 1 77 77 LYS N N 77 121.662 121.662 122.499 -0.837 19682 417 1 . 1 1 77 77 LYS HA H 77 4.335 4.335 4.058 0.277 19682 418 1 . 1 1 77 77 LYS C C 77 177.278 177.278 176.896 0.382 19682 419 1 . 1 1 77 77 LYS CA C 77 56.298 56.298 57.391 -1.093 19682 420 1 . 1 1 77 77 LYS CB C 77 32.777 32.777 31.490 1.287 19682 421 1 . 1 1 77 77 LYS H H 77 8.516 8.516 8.509 0.007 19682 422 1 . 1 1 78 78 GLY N N 78 110.250 110.250 110.148 0.102 19682 423 1 . 1 1 78 78 GLY C C 78 172.995 172.995 173.702 -0.707 19682 424 1 . 1 1 78 78 GLY CA C 78 44.546 44.546 45.084 -0.538 19682 425 1 . 1 1 78 78 GLY H H 78 8.150 8.150 8.100 0.050 19682 426 1 . 1 1 79 79 GLU N N 79 121.820 121.820 122.211 -0.391 19682 427 1 . 1 1 79 79 GLU HA H 79 4.369 4.369 4.357 0.012 19682 428 1 . 1 1 79 79 GLU C C 79 175.847 175.847 175.446 0.401 19682 429 1 . 1 1 79 79 GLU CA C 79 56.977 56.977 56.320 0.657 19682 430 1 . 1 1 79 79 GLU CB C 79 30.638 30.638 29.713 0.925 19682 431 1 . 1 1 79 79 GLU H H 79 8.342 8.342 8.259 0.083 19682 432 1 . 1 1 80 80 TRP N N 80 126.690 126.690 126.234 0.456 19682 433 1 . 1 1 80 80 TRP HA H 80 4.514 4.514 4.886 -0.372 19682 434 1 . 1 1 80 80 TRP C C 80 172.733 172.733 174.100 -1.367 19682 435 1 . 1 1 80 80 TRP CA C 80 59.568 59.568 56.816 2.752 19682 436 1 . 1 1 80 80 TRP CB C 80 30.409 30.409 31.479 -1.070 19682 437 1 . 1 1 80 80 TRP H H 80 9.370 9.370 8.324 1.046 19682 438 1 . 1 1 81 81 LEU N N 81 125.572 125.572 126.968 -1.396 19682 439 1 . 1 1 81 81 LEU HA H 81 5.021 5.021 4.198 0.823 19682 440 1 . 1 1 81 81 LEU C C 81 174.617 174.617 175.448 -0.831 19682 441 1 . 1 1 81 81 LEU CA C 81 51.434 51.434 52.784 -1.350 19682 442 1 . 1 1 81 81 LEU CB C 81 44.860 44.860 43.406 1.454 19682 443 1 . 1 1 81 81 LEU H H 81 6.540 6.540 7.840 -1.300 19682 444 1 . 1 1 82 82 CYS N N 82 125.868 125.868 120.739 5.129 19682 445 1 . 1 1 82 82 CYS HA H 82 3.529 3.529 3.832 -0.303 19682 446 1 . 1 1 82 82 CYS C C 82 172.652 172.652 175.124 -2.472 19682 447 1 . 1 1 82 82 CYS CA C 82 56.562 56.562 55.303 1.259 19682 448 1 . 1 1 82 82 CYS CB C 82 29.544 29.544 26.469 3.075 19682 449 1 . 1 1 82 82 CYS H H 82 9.086 9.086 7.925 1.161 19682 450 1 . 1 1 83 83 PRO HA H 83 4.068 4.068 4.008 0.060 19682 451 1 . 1 1 83 83 PRO C C 83 178.541 178.541 178.548 -0.007 19682 452 1 . 1 1 83 83 PRO CA C 83 65.267 65.267 65.621 -0.354 19682 453 1 . 1 1 83 83 PRO CB C 83 32.209 32.209 31.685 0.524 19682 454 1 . 1 1 84 84 ARG N N 84 117.140 117.140 117.578 -0.438 19682 455 1 . 1 1 84 84 ARG HA H 84 4.197 4.197 4.101 0.096 19682 456 1 . 1 1 84 84 ARG C C 84 177.983 177.983 177.823 0.160 19682 457 1 . 1 1 84 84 ARG CA C 84 58.537 58.537 58.794 -0.257 19682 458 1 . 1 1 84 84 ARG CB C 84 30.815 30.815 29.584 1.231 19682 459 1 . 1 1 84 84 ARG H H 84 8.041 8.041 8.353 -0.312 19682 460 1 . 1 1 85 85 CYS N N 85 123.417 123.417 116.683 6.734 19682 461 1 . 1 1 85 85 CYS HA H 85 3.903 3.903 4.281 -0.378 19682 462 1 . 1 1 85 85 CYS C C 85 177.298 177.298 176.799 0.499 19682 463 1 . 1 1 85 85 CYS CA C 85 64.168 64.168 61.194 2.974 19682 464 1 . 1 1 85 85 CYS CB C 85 30.038 30.038 26.346 3.692 19682 465 1 . 1 1 85 85 CYS H H 85 8.210 8.210 7.597 0.613 19682 466 1 . 1 1 86 86 VAL N N 86 118.037 118.037 119.679 -1.642 19682 467 1 . 1 1 86 86 VAL HA H 86 3.640 3.640 3.713 -0.073 19682 468 1 . 1 1 86 86 VAL C C 86 176.623 176.623 177.339 -0.716 19682 469 1 . 1 1 86 86 VAL CA C 86 64.508 64.508 65.409 -0.901 19682 470 1 . 1 1 86 86 VAL CB C 86 31.802 31.802 31.639 0.163 19682 471 1 . 1 1 86 86 VAL H H 86 7.951 7.951 7.510 0.441 19682 472 1 . 1 1 87 87 VAL N N 87 119.227 119.227 116.915 2.312 19682 473 1 . 1 1 87 87 VAL HA H 87 3.976 3.976 3.844 0.132 19682 474 1 . 1 1 87 87 VAL C C 87 176.774 176.774 176.362 0.412 19682 475 1 . 1 1 87 87 VAL CA C 87 63.182 63.182 63.793 -0.611 19682 476 1 . 1 1 87 87 VAL CB C 87 32.210 32.210 31.332 0.878 19682 477 1 . 1 1 87 87 VAL H H 87 7.255 7.255 7.514 -0.259 19682 478 1 . 1 1 88 88 GLU N N 88 122.469 122.469 119.742 2.727 19682 479 1 . 1 1 88 88 GLU HA H 88 4.199 4.199 4.171 0.028 19682 480 1 . 1 1 88 88 GLU C C 88 176.623 176.623 176.258 0.365 19682 481 1 . 1 1 88 88 GLU CA C 88 56.950 56.950 56.962 -0.012 19682 482 1 . 1 1 88 88 GLU CB C 88 30.090 30.090 29.983 0.107 19682 483 1 . 1 1 88 88 GLU H H 88 7.986 7.986 7.829 0.157 19682 484 1 . 1 1 89 89 GLU N N 89 121.343 121.343 120.147 1.196 19682 485 1 . 1 1 89 89 GLU HA H 89 4.189 4.189 4.242 -0.053 19682 486 1 . 1 1 89 89 GLU C C 89 176.744 176.744 176.173 0.571 19682 487 1 . 1 1 89 89 GLU CA C 89 56.956 56.956 56.537 0.419 19682 488 1 . 1 1 89 89 GLU CB C 89 29.912 29.912 29.911 0.001 19682 489 1 . 1 1 89 89 GLU H H 89 8.168 8.168 8.247 -0.079 19682 490 1 . 1 1 90 90 VAL N N 90 120.127 120.127 122.081 -1.954 19682 491 1 . 1 1 90 90 VAL HA H 90 4.084 4.084 4.068 0.016 19682 492 1 . 1 1 90 90 VAL C C 90 176.290 176.290 175.639 0.651 19682 493 1 . 1 1 90 90 VAL CA C 90 62.592 62.592 62.544 0.048 19682 494 1 . 1 1 90 90 VAL CB C 90 32.527 32.527 31.463 1.064 19682 495 1 . 1 1 90 90 VAL H H 90 8.027 8.027 8.242 -0.215 19682 496 1 . 1 1 91 91 SER N N 91 118.678 118.678 120.505 -1.827 19682 497 1 . 1 1 91 91 SER HA H 91 4.439 4.439 4.457 -0.018 19682 498 1 . 1 1 91 91 SER C C 91 173.932 173.932 174.050 -0.118 19682 499 1 . 1 1 91 91 SER CA C 91 58.189 58.189 58.697 -0.508 19682 500 1 . 1 1 91 91 SER CB C 91 63.706 63.706 63.329 0.377 19682 501 1 . 1 1 91 91 SER H H 91 8.222 8.222 8.252 -0.030 19682 502 1 . 1 1 92 92 LYS N N 92 124.547 124.547 124.068 0.479 19682 503 1 . 1 1 92 92 LYS HA H 92 4.607 4.607 4.548 0.059 19682 504 1 . 1 1 92 92 LYS C C 92 174.395 174.395 174.521 -0.126 19682 505 1 . 1 1 92 92 LYS CA C 92 54.272 54.272 54.587 -0.315 19682 506 1 . 1 1 92 92 LYS CB C 92 32.646 32.646 32.595 0.051 19682 507 1 . 1 1 92 92 LYS H H 92 8.165 8.165 8.127 0.038 19682 508 1 . 1 1 93 93 PRO HA H 93 4.419 4.419 4.471 -0.052 19682 509 1 . 1 1 93 93 PRO C C 93 176.194 176.194 176.343 -0.149 19682 510 1 . 1 1 93 93 PRO CA C 93 63.418 63.418 63.082 0.336 19682 511 1 . 1 1 93 93 PRO CB C 93 31.896 31.896 31.699 0.197 19682 stop_ save_